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 3oth_1_A DATA FIRST_RESID -6 DATA SEQUENCE GHIEGRHXRV LFASLGTHGH TYPLLPLATA ARAAGHEVTF ATGEGFAGTL DATA SEQUENCE RKLGFEPVAT GXPVFDGFLA ALRIRFDTDS PEGLTPEQLS ELPQIVFGRV DATA SEQUENCE IPQRVFDELQ PVIERLRPDL VVQEISNYGA GLAALKAGIP TICHGVGRDT DATA SEQUENCE PDDLTRSIEE EVRGLAQRLG LDLPPGRIDG FGNPFIDIFP PSLQEPEFRA DATA SEQUENCE RPRRHELRPV PFAEQGDLPA WLSSRDTARP LVYLTLGTSS GGTVEVLRAA DATA SEQUENCE IDGLAGLDAD VLVASGPSLD VSGLGEVPAN VRLESWVPQA ALLPHVDLVV DATA SEQUENCE HHGGSGTTLG ALGAGVPQLS FPWAGDSFAN AQAVAQAGAG DHLLPDNISP DATA SEQUENCE DSVSGAAKRL LAEESYRAGA RAVAAEIAAX PGPDEVVRLL PGFAS 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 -6 G HA2 0.000 nan 3.960 nan 0.000 0.244 -6 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 -6 G C 0.000 174.962 174.900 0.103 0.000 0.946 -6 G CA 0.000 45.128 45.100 0.046 0.000 0.502 -5 H N 0.275 119.379 119.070 0.057 0.000 2.907 -5 H HA 0.795 5.349 4.556 -0.003 0.000 0.361 -5 H C 0.265 175.638 175.328 0.074 0.000 1.194 -5 H CA -1.244 54.858 56.048 0.090 0.000 1.152 -5 H CB 1.584 31.436 29.762 0.149 0.000 1.867 -5 H HN 0.709 nan 8.280 nan 0.000 0.561 -4 I N -1.707 118.970 120.570 0.178 0.000 2.834 -4 I HA 0.323 4.491 4.170 -0.004 0.000 0.305 -4 I C 0.301 176.523 176.117 0.176 0.000 1.008 -4 I CA -1.042 60.312 61.300 0.090 0.000 1.273 -4 I CB 1.251 39.303 38.000 0.086 0.000 1.432 -4 I HN 0.796 nan 8.210 nan 0.000 0.557 -3 E N 2.498 122.746 120.200 0.079 0.000 2.493 -3 E HA 0.164 4.512 4.350 -0.004 0.000 0.255 -3 E C 0.969 177.639 176.600 0.118 0.000 0.999 -3 E CA 0.995 57.450 56.400 0.092 0.000 0.934 -3 E CB 0.012 29.734 29.700 0.036 0.000 0.940 -3 E HN 1.035 nan 8.360 nan 0.000 0.473 -2 G N 4.377 113.265 108.800 0.148 0.000 2.179 -2 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.260 -2 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.260 -2 G C 0.026 175.007 174.900 0.134 0.000 0.977 -2 G CA 0.335 45.495 45.100 0.099 0.000 0.641 -2 G HN 0.576 nan 8.290 nan 0.000 0.533 -1 R N -0.044 120.538 120.500 0.137 0.000 2.621 -1 R HA 0.619 4.956 4.340 -0.004 0.000 0.292 -1 R C 0.584 176.835 176.300 -0.083 0.000 0.969 -1 R CA -0.832 55.245 56.100 -0.038 0.000 0.887 -1 R CB 1.269 31.521 30.300 -0.081 0.000 1.180 -1 R HN 0.424 nan 8.270 nan 0.000 0.450 3 V N 3.709 123.613 119.914 -0.016 0.000 2.370 3 V HA 0.351 4.469 4.120 -0.004 0.000 0.279 3 V C -0.197 175.889 176.094 -0.012 0.000 1.029 3 V CA -0.792 61.482 62.300 -0.043 0.000 0.870 3 V CB 1.525 33.343 31.823 -0.008 0.000 0.984 3 V HN 0.449 nan 8.190 nan 0.000 0.451 4 L N 6.596 127.752 121.223 -0.111 0.000 2.264 4 L HA 0.567 4.904 4.340 -0.004 0.000 0.287 4 L C -0.672 176.036 176.870 -0.270 0.000 1.039 4 L CA 0.174 54.941 54.840 -0.121 0.000 0.829 4 L CB 0.111 42.098 42.059 -0.120 0.000 1.211 4 L HN 0.429 nan 8.230 nan 0.000 0.427 5 F N 4.293 123.960 119.950 -0.472 0.000 2.412 5 F HA 0.649 5.174 4.527 -0.003 0.000 0.348 5 F C 0.728 176.042 175.800 -0.811 0.000 1.102 5 F CA 0.112 57.647 58.000 -0.775 0.000 1.196 5 F CB 1.412 39.600 39.000 -1.354 0.000 1.144 5 F HN 0.649 nan 8.300 nan 0.000 0.541 6 A N 2.539 125.074 122.820 -0.475 0.000 2.408 6 A HA 0.712 5.030 4.320 -0.004 0.000 0.295 6 A C -0.903 176.579 177.584 -0.171 0.000 1.040 6 A CA -0.480 51.388 52.037 -0.281 0.000 0.707 6 A CB 1.258 20.151 19.000 -0.178 0.000 1.235 6 A HN 0.733 nan 8.150 nan 0.000 0.418 7 S N 2.044 117.716 115.700 -0.045 0.000 2.618 7 S HA 0.788 5.256 4.470 -0.004 0.000 0.277 7 S C -0.485 174.142 174.600 0.045 0.000 1.138 7 S CA -0.852 57.365 58.200 0.028 0.000 0.844 7 S CB 0.624 63.891 63.200 0.111 0.000 1.127 7 S HN 0.737 nan 8.310 nan 0.000 0.474 8 L N 1.076 122.319 121.223 0.033 0.000 2.482 8 L HA 0.324 4.662 4.340 -0.004 0.000 0.273 8 L C 1.451 178.353 176.870 0.054 0.000 1.228 8 L CA 0.033 54.881 54.840 0.014 0.000 0.827 8 L CB 0.126 42.096 42.059 -0.147 0.000 1.099 8 L HN 1.088 nan 8.230 nan 0.000 0.494 9 G N 0.554 109.419 108.800 0.108 0.000 3.574 9 G HA2 0.238 4.196 3.960 -0.004 0.000 0.262 9 G HA3 0.238 4.196 3.960 -0.004 0.000 0.262 9 G C 0.238 175.330 174.900 0.320 0.000 1.231 9 G CA 0.048 45.271 45.100 0.204 0.000 1.608 9 G HN 0.670 nan 8.290 nan 0.000 0.628 10 T N -4.503 110.193 114.554 0.237 0.000 2.906 10 T HA 0.358 4.706 4.350 -0.004 0.000 0.295 10 T C 0.811 175.638 174.700 0.211 0.000 1.075 10 T CA -0.634 61.663 62.100 0.328 0.000 1.005 10 T CB 1.678 70.754 68.868 0.348 0.000 1.136 10 T HN 0.144 nan 8.240 nan 0.000 0.498 11 H N 1.400 120.636 119.070 0.275 0.000 2.352 11 H HA 0.088 4.642 4.556 -0.004 0.000 0.299 11 H C 2.417 177.689 175.328 -0.093 0.000 1.097 11 H CA 2.361 58.350 56.048 -0.098 0.000 1.311 11 H CB -0.543 29.145 29.762 -0.123 0.000 1.377 11 H HN 0.836 nan 8.280 nan 0.000 0.504 12 G N -0.710 108.220 108.800 0.217 0.000 2.498 12 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.219 12 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.219 12 G C 1.140 176.023 174.900 -0.027 0.000 1.119 12 G CA 0.805 45.983 45.100 0.130 0.000 0.766 12 G HN 0.508 nan 8.290 nan 0.000 0.552 13 H N -1.230 117.875 119.070 0.059 0.000 2.855 13 H HA 0.113 4.667 4.556 -0.004 0.000 0.259 13 H C 2.087 177.409 175.328 -0.010 0.000 0.972 13 H CA 0.971 57.037 56.048 0.031 0.000 1.213 13 H CB 0.822 30.602 29.762 0.030 0.000 1.451 13 H HN 0.262 nan 8.280 nan 0.000 0.484 14 T N 0.385 114.937 114.554 -0.003 0.000 2.983 14 T HA -0.044 4.303 4.350 -0.004 0.000 0.250 14 T C 1.676 176.381 174.700 0.007 0.000 1.037 14 T CA 0.301 62.329 62.100 -0.120 0.000 1.142 14 T CB -0.127 68.314 68.868 -0.711 0.000 0.876 14 T HN 0.175 nan 8.240 nan 0.000 0.455 15 Y N 1.574 121.788 120.300 -0.143 0.000 2.128 15 Y HA -0.002 4.546 4.550 -0.004 0.000 0.284 15 Y C -0.548 175.338 175.900 -0.024 0.000 1.154 15 Y CA 0.128 58.163 58.100 -0.109 0.000 1.149 15 Y CB -2.034 36.489 38.460 0.104 0.000 0.976 15 Y HN 0.246 nan 8.280 nan 0.000 0.505 16 P HA -0.154 nan 4.420 nan 0.000 0.218 16 P C 1.435 178.754 177.300 0.032 0.000 1.146 16 P CA 1.380 64.561 63.100 0.135 0.000 0.813 16 P CB -0.041 31.730 31.700 0.118 0.000 0.778 17 L N -2.216 118.973 121.223 -0.057 0.000 2.509 17 L HA 0.045 4.382 4.340 -0.004 0.000 0.222 17 L C 2.149 179.062 176.870 0.071 0.000 1.123 17 L CA 0.871 55.635 54.840 -0.127 0.000 0.856 17 L CB -1.027 41.033 42.059 0.002 0.000 0.985 17 L HN -0.072 nan 8.230 nan 0.000 0.456 18 L N -0.098 121.138 121.223 0.021 0.000 2.046 18 L HA -0.156 4.182 4.340 -0.004 0.000 0.208 18 L C -0.164 176.758 176.870 0.086 0.000 1.077 18 L CA 1.338 56.160 54.840 -0.031 0.000 0.747 18 L CB -1.672 40.196 42.059 -0.319 0.000 0.896 18 L HN 0.246 nan 8.230 nan 0.000 0.432 19 P HA -0.206 nan 4.420 nan 0.000 0.215 19 P C 1.775 179.172 177.300 0.162 0.000 1.157 19 P CA 1.219 64.415 63.100 0.160 0.000 0.868 19 P CB 0.055 31.856 31.700 0.169 0.000 0.788 20 L N -0.669 120.677 121.223 0.203 0.000 2.093 20 L HA -0.017 4.320 4.340 -0.004 0.000 0.208 20 L C 2.198 179.156 176.870 0.147 0.000 1.085 20 L CA 1.755 56.750 54.840 0.259 0.000 0.755 20 L CB -1.457 40.876 42.059 0.457 0.000 0.904 20 L HN -0.136 nan 8.230 nan 0.000 0.435 21 A N -1.751 120.940 122.820 -0.216 0.000 1.898 21 A HA -0.171 4.147 4.320 -0.004 0.000 0.216 21 A C 2.272 179.780 177.584 -0.126 0.000 1.181 21 A CA 2.120 53.670 52.037 -0.811 0.000 0.620 21 A CB -1.093 17.015 19.000 -1.486 0.000 0.819 21 A HN 0.457 nan 8.150 nan 0.000 0.442 22 T N 0.243 114.944 114.554 0.245 0.000 2.746 22 T HA -0.030 4.317 4.350 -0.004 0.000 0.267 22 T C 2.186 177.004 174.700 0.195 0.000 1.039 22 T CA 1.576 63.880 62.100 0.339 0.000 1.142 22 T CB -0.397 68.604 68.868 0.222 0.000 0.866 22 T HN 0.583 nan 8.240 nan 0.000 0.444 23 A N 1.126 124.037 122.820 0.151 0.000 1.969 23 A HA 0.211 4.528 4.320 -0.004 0.000 0.218 23 A C 2.564 180.235 177.584 0.145 0.000 1.169 23 A CA 1.688 53.803 52.037 0.130 0.000 0.635 23 A CB -0.858 18.220 19.000 0.130 0.000 0.810 23 A HN 0.503 nan 8.150 nan 0.000 0.445 24 A N -0.230 122.697 122.820 0.180 0.000 1.930 24 A HA -0.111 4.206 4.320 -0.004 0.000 0.217 24 A C 2.233 179.940 177.584 0.205 0.000 1.175 24 A CA 1.551 53.745 52.037 0.262 0.000 0.627 24 A CB -0.443 18.731 19.000 0.289 0.000 0.815 24 A HN 0.547 nan 8.150 nan 0.000 0.443 25 R N -0.327 120.280 120.500 0.179 0.000 2.092 25 R HA -0.051 4.287 4.340 -0.004 0.000 0.231 25 R C 2.215 178.571 176.300 0.093 0.000 1.119 25 R CA 1.333 57.539 56.100 0.176 0.000 0.970 25 R CB -0.367 30.115 30.300 0.304 0.000 0.864 25 R HN 0.412 nan 8.270 nan 0.000 0.440 26 A N 0.640 123.509 122.820 0.083 0.000 1.972 26 A HA -0.035 4.283 4.320 -0.004 0.000 0.219 26 A C 2.187 179.760 177.584 -0.019 0.000 1.169 26 A CA 1.452 53.511 52.037 0.037 0.000 0.635 26 A CB -0.524 18.502 19.000 0.044 0.000 0.810 26 A HN 0.505 nan 8.150 nan 0.000 0.446 27 A N -1.873 120.914 122.820 -0.055 0.000 2.239 27 A HA 0.381 4.699 4.320 -0.004 0.000 0.209 27 A C 1.789 179.139 177.584 -0.391 0.000 1.171 27 A CA 1.341 53.263 52.037 -0.191 0.000 0.768 27 A CB -0.848 18.051 19.000 -0.167 0.000 0.790 27 A HN 1.855 nan 8.150 nan 0.000 0.478 28 G N -1.791 106.860 108.800 -0.248 0.000 2.159 28 G HA2 -0.177 3.781 3.960 -0.004 0.000 0.227 28 G HA3 -0.177 3.781 3.960 -0.004 0.000 0.227 28 G C 0.041 174.876 174.900 -0.107 0.000 0.986 28 G CA 0.125 45.131 45.100 -0.156 0.000 0.651 28 G HN 0.649 nan 8.290 nan 0.000 0.523 29 H N 0.899 119.995 119.070 0.043 0.000 2.547 29 H HA 0.427 4.981 4.556 -0.004 0.000 0.362 29 H C 0.277 175.643 175.328 0.062 0.000 1.181 29 H CA -0.046 56.018 56.048 0.027 0.000 1.376 29 H CB 0.723 30.490 29.762 0.008 0.000 1.488 29 H HN 0.444 nan 8.280 nan 0.000 0.583 30 E N 1.514 121.819 120.200 0.175 0.000 2.089 30 E HA 0.246 4.594 4.350 -0.004 0.000 0.284 30 E C -0.592 176.070 176.600 0.104 0.000 1.023 30 E CA -0.483 55.992 56.400 0.124 0.000 0.819 30 E CB 1.254 31.006 29.700 0.086 0.000 1.076 30 E HN 0.156 nan 8.360 nan 0.000 0.396 31 V N 3.908 123.880 119.914 0.097 0.000 2.383 31 V HA 0.154 4.272 4.120 -0.004 0.000 0.275 31 V C 0.186 176.300 176.094 0.032 0.000 1.036 31 V CA -0.253 62.038 62.300 -0.014 0.000 0.889 31 V CB 1.440 33.033 31.823 -0.383 0.000 0.985 31 V HN 0.647 nan 8.190 nan 0.000 0.459 32 T N 6.184 120.763 114.554 0.043 0.000 2.771 32 T HA 0.530 4.878 4.350 -0.004 0.000 0.281 32 T C -0.837 173.909 174.700 0.077 0.000 0.982 32 T CA -0.123 62.025 62.100 0.080 0.000 0.978 32 T CB 0.741 69.642 68.868 0.054 0.000 0.930 32 T HN 0.382 nan 8.240 nan 0.000 0.447 33 F N 3.045 123.001 119.950 0.010 0.000 2.427 33 F HA 0.638 5.163 4.527 -0.003 0.000 0.348 33 F C -0.104 175.715 175.800 0.032 0.000 1.125 33 F CA -1.178 56.826 58.000 0.007 0.000 0.989 33 F CB 0.863 39.844 39.000 -0.032 0.000 1.165 33 F HN 0.627 nan 8.300 nan 0.000 0.442 34 A N 4.415 127.315 122.820 0.132 0.000 2.260 34 A HA 0.737 5.055 4.320 -0.004 0.000 0.308 34 A C -0.092 177.612 177.584 0.201 0.000 1.254 34 A CA -0.004 52.114 52.037 0.136 0.000 0.874 34 A CB 0.990 20.000 19.000 0.017 0.000 1.153 34 A HN 0.797 nan 8.150 nan 0.000 0.527 35 T N 0.869 115.549 114.554 0.210 0.000 2.661 35 T HA 0.516 4.864 4.350 -0.004 0.000 0.303 35 T C 0.363 175.181 174.700 0.196 0.000 1.658 35 T CA 0.098 62.303 62.100 0.175 0.000 0.974 35 T CB 0.016 68.962 68.868 0.129 0.000 1.857 35 T HN 1.658 nan 8.240 nan 0.000 0.475 36 G N 1.195 110.153 108.800 0.264 0.000 2.321 36 G HA2 0.221 4.179 3.960 -0.004 0.000 0.237 36 G HA3 0.221 4.179 3.960 -0.004 0.000 0.237 36 G C 0.965 176.021 174.900 0.259 0.000 1.282 36 G CA 0.677 45.952 45.100 0.291 0.000 0.886 36 G HN 0.853 nan 8.290 nan 0.000 0.528 37 E N 1.676 121.955 120.200 0.131 0.000 2.209 37 E HA -0.119 4.229 4.350 -0.004 0.000 0.196 37 E C 2.173 178.790 176.600 0.029 0.000 0.993 37 E CA 0.987 57.436 56.400 0.081 0.000 0.819 37 E CB -0.322 29.407 29.700 0.047 0.000 0.745 37 E HN 0.514 nan 8.360 nan 0.000 0.477 38 G N 0.344 109.111 108.800 -0.055 0.000 2.498 38 G HA2 -0.202 3.755 3.960 -0.004 0.000 0.219 38 G HA3 -0.202 3.755 3.960 -0.004 0.000 0.219 38 G C 0.927 175.628 174.900 -0.330 0.000 1.119 38 G CA 0.361 45.321 45.100 -0.234 0.000 0.766 38 G HN 0.288 nan 8.290 nan 0.000 0.552 39 F N 0.924 120.831 119.950 -0.072 0.000 2.797 39 F HA 0.372 4.896 4.527 -0.004 0.000 0.302 39 F C 2.599 178.362 175.800 -0.061 0.000 1.130 39 F CA -0.008 57.938 58.000 -0.090 0.000 1.387 39 F CB 0.224 39.146 39.000 -0.129 0.000 1.107 39 F HN 0.183 nan 8.300 nan 0.000 0.577 40 A N 0.822 123.700 122.820 0.097 0.000 1.903 40 A HA -0.195 4.123 4.320 -0.004 0.000 0.219 40 A C 2.615 180.223 177.584 0.040 0.000 1.191 40 A CA 2.165 54.244 52.037 0.070 0.000 0.638 40 A CB -1.487 17.542 19.000 0.048 0.000 0.823 40 A HN 0.416 nan 8.150 nan 0.000 0.451 41 G N -1.538 107.270 108.800 0.015 0.000 2.446 41 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.217 41 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.217 41 G C 1.600 176.504 174.900 0.008 0.000 1.168 41 G CA 1.707 46.809 45.100 0.003 0.000 0.771 41 G HN 0.443 nan 8.290 nan 0.000 0.551 42 T N 1.325 115.898 114.554 0.032 0.000 2.746 42 T HA -0.034 4.313 4.350 -0.004 0.000 0.267 42 T C 2.458 177.128 174.700 -0.051 0.000 1.039 42 T CA 1.009 63.134 62.100 0.043 0.000 1.142 42 T CB -0.216 68.731 68.868 0.131 0.000 0.866 42 T HN 0.157 nan 8.240 nan 0.000 0.444 43 L N 0.366 121.560 121.223 -0.048 0.000 2.017 43 L HA -0.097 4.241 4.340 -0.004 0.000 0.208 43 L C 2.895 179.703 176.870 -0.104 0.000 1.073 43 L CA 1.454 56.246 54.840 -0.080 0.000 0.745 43 L CB -0.519 41.564 42.059 0.040 0.000 0.894 43 L HN 0.157 nan 8.230 nan 0.000 0.432 44 R N 0.114 120.594 120.500 -0.033 0.000 2.096 44 R HA -0.192 4.146 4.340 -0.004 0.000 0.235 44 R C 2.321 178.568 176.300 -0.087 0.000 1.127 44 R CA 1.280 57.363 56.100 -0.029 0.000 0.968 44 R CB -0.277 30.023 30.300 0.001 0.000 0.861 44 R HN 0.288 nan 8.270 nan 0.000 0.440 45 K N 1.120 121.463 120.400 -0.096 0.000 2.211 45 K HA -0.068 4.250 4.320 -0.004 0.000 0.203 45 K C 1.749 178.237 176.600 -0.186 0.000 1.050 45 K CA 0.892 57.118 56.287 -0.101 0.000 0.945 45 K CB 0.080 32.548 32.500 -0.054 0.000 0.732 45 K HN 0.155 nan 8.250 nan 0.000 0.451 46 L N -0.403 120.609 121.223 -0.351 0.000 2.552 46 L HA 0.059 4.397 4.340 -0.004 0.000 0.227 46 L C 1.127 177.574 176.870 -0.706 0.000 1.146 46 L CA 0.667 55.124 54.840 -0.640 0.000 0.858 46 L CB 0.013 41.386 42.059 -1.143 0.000 0.969 46 L HN 0.567 nan 8.230 nan 0.000 0.451 47 G N -0.818 107.747 108.800 -0.390 0.000 2.141 47 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.231 47 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.231 47 G C 0.028 174.984 174.900 0.094 0.000 0.984 47 G CA -0.498 44.525 45.100 -0.128 0.000 0.660 47 G HN 0.092 nan 8.290 nan 0.000 0.525 48 F N 0.632 120.590 119.950 0.013 0.000 2.377 48 F HA 0.692 5.217 4.527 -0.003 0.000 0.328 48 F C 0.684 176.514 175.800 0.050 0.000 1.094 48 F CA -2.341 55.682 58.000 0.038 0.000 1.093 48 F CB 1.191 40.215 39.000 0.039 0.000 1.214 48 F HN 0.043 nan 8.300 nan 0.000 0.518 49 E N 4.775 125.138 120.200 0.272 0.000 2.044 49 E HA 0.271 4.619 4.350 -0.004 0.000 0.282 49 E C -2.644 174.066 176.600 0.184 0.000 1.031 49 E CA -2.485 54.019 56.400 0.173 0.000 0.824 49 E CB 0.514 30.289 29.700 0.124 0.000 1.076 49 E HN 0.111 nan 8.360 nan 0.000 0.395 50 P HA 0.114 nan 4.420 nan 0.000 0.279 50 P C -0.871 176.508 177.300 0.133 0.000 1.239 50 P CA -0.390 62.812 63.100 0.169 0.000 0.789 50 P CB 1.282 33.060 31.700 0.130 0.000 0.933 51 V N 2.269 122.270 119.914 0.145 0.000 2.638 51 V HA 0.550 4.668 4.120 -0.004 0.000 0.306 51 V C 0.128 176.287 176.094 0.108 0.000 1.052 51 V CA -0.947 61.414 62.300 0.102 0.000 0.885 51 V CB 1.872 33.740 31.823 0.076 0.000 0.999 51 V HN 0.708 nan 8.190 nan 0.000 0.424 52 A N 3.640 126.510 122.820 0.083 0.000 2.276 52 A HA 0.819 5.137 4.320 -0.004 0.000 0.300 52 A C 0.302 177.927 177.584 0.069 0.000 1.235 52 A CA -0.002 52.086 52.037 0.085 0.000 0.867 52 A CB 0.396 19.437 19.000 0.069 0.000 1.137 52 A HN 1.040 nan 8.150 nan 0.000 0.527 53 T N -0.494 114.107 114.554 0.079 0.000 2.865 53 T HA 0.847 5.195 4.350 -0.004 0.000 0.294 53 T C 0.376 175.119 174.700 0.071 0.000 1.119 53 T CA -0.019 62.118 62.100 0.062 0.000 1.007 53 T CB 1.068 69.967 68.868 0.051 0.000 1.225 53 T HN 2.518 nan 8.240 nan 0.000 0.515 57 V N 0.346 120.398 119.914 0.230 0.000 2.282 57 V HA -0.262 3.856 4.120 -0.004 0.000 0.249 57 V C 1.963 178.264 176.094 0.345 0.000 1.057 57 V CA 2.346 64.806 62.300 0.266 0.000 1.032 57 V CB -0.868 31.209 31.823 0.424 0.000 0.645 57 V HN 0.769 nan 8.190 nan 0.000 0.447 58 F N 1.674 121.761 119.950 0.228 0.000 2.063 58 F HA -0.279 4.246 4.527 -0.003 0.000 0.298 58 F C 2.268 178.170 175.800 0.170 0.000 1.109 58 F CA 2.356 60.480 58.000 0.207 0.000 1.212 58 F CB -0.509 38.565 39.000 0.124 0.000 0.973 58 F HN 0.233 nan 8.300 nan 0.000 0.480 59 D N 0.039 120.503 120.400 0.106 0.000 2.218 59 D HA -0.115 4.523 4.640 -0.004 0.000 0.204 59 D C 2.426 178.660 176.300 -0.109 0.000 0.976 59 D CA 1.336 55.308 54.000 -0.046 0.000 0.853 59 D CB -0.803 40.047 40.800 0.082 0.000 0.939 59 D HN 0.509 nan 8.370 nan 0.000 0.481 60 G N -0.144 108.597 108.800 -0.098 0.000 2.408 60 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.217 60 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.217 60 G C 1.372 176.088 174.900 -0.307 0.000 1.150 60 G CA 0.029 44.983 45.100 -0.243 0.000 0.776 60 G HN 0.186 nan 8.290 nan 0.000 0.542 61 F N 0.519 120.352 119.950 -0.195 0.000 2.325 61 F HA 0.218 4.743 4.527 -0.004 0.000 0.299 61 F C 2.487 178.177 175.800 -0.184 0.000 1.090 61 F CA 0.392 58.299 58.000 -0.156 0.000 1.392 61 F CB -0.030 38.914 39.000 -0.094 0.000 1.053 61 F HN 0.021 nan 8.300 nan 0.000 0.521 62 L N -0.801 120.336 121.223 -0.143 0.000 2.056 62 L HA -0.192 4.146 4.340 -0.004 0.000 0.207 62 L C 2.722 179.540 176.870 -0.086 0.000 1.078 62 L CA 1.139 55.878 54.840 -0.168 0.000 0.749 62 L CB -0.952 40.938 42.059 -0.282 0.000 0.901 62 L HN 0.130 nan 8.230 nan 0.000 0.433 63 A N 0.068 122.826 122.820 -0.104 0.000 1.877 63 A HA -0.183 4.135 4.320 -0.004 0.000 0.216 63 A C 2.511 180.046 177.584 -0.082 0.000 1.186 63 A CA 1.800 53.784 52.037 -0.088 0.000 0.620 63 A CB -0.756 18.181 19.000 -0.105 0.000 0.822 63 A HN 0.400 nan 8.150 nan 0.000 0.443 64 A N -0.863 121.893 122.820 -0.108 0.000 1.933 64 A HA -0.014 4.304 4.320 -0.004 0.000 0.218 64 A C 2.064 179.646 177.584 -0.005 0.000 1.175 64 A CA 1.678 53.660 52.037 -0.092 0.000 0.628 64 A CB -0.577 18.334 19.000 -0.150 0.000 0.814 64 A HN 0.459 nan 8.150 nan 0.000 0.444 65 L N -0.305 120.959 121.223 0.068 0.000 2.012 65 L HA -0.162 4.176 4.340 -0.004 0.000 0.210 65 L C 2.520 179.456 176.870 0.111 0.000 1.073 65 L CA 2.047 56.983 54.840 0.160 0.000 0.748 65 L CB -0.767 41.365 42.059 0.122 0.000 0.891 65 L HN 0.355 nan 8.230 nan 0.000 0.431 66 R N -1.003 119.518 120.500 0.035 0.000 2.066 66 R HA -0.042 4.296 4.340 -0.004 0.000 0.232 66 R C 2.260 178.550 176.300 -0.016 0.000 1.131 66 R CA 1.483 57.593 56.100 0.016 0.000 0.955 66 R CB -0.358 29.940 30.300 -0.004 0.000 0.851 66 R HN 0.321 nan 8.270 nan 0.000 0.432 67 I N -0.025 120.515 120.570 -0.050 0.000 2.226 67 I HA -0.269 3.899 4.170 -0.004 0.000 0.245 67 I C 2.412 178.447 176.117 -0.135 0.000 1.100 67 I CA 1.237 62.487 61.300 -0.083 0.000 1.374 67 I CB -0.087 37.855 38.000 -0.096 0.000 1.057 67 I HN 0.077 nan 8.210 nan 0.000 0.413 68 R N 0.529 120.904 120.500 -0.207 0.000 2.123 68 R HA 0.056 4.393 4.340 -0.004 0.000 0.209 68 R C 1.174 177.123 176.300 -0.584 0.000 1.078 68 R CA 1.342 57.160 56.100 -0.470 0.000 1.028 68 R CB -0.081 29.800 30.300 -0.698 0.000 0.939 68 R HN 0.175 nan 8.270 nan 0.000 0.463 69 F N 1.156 121.108 119.950 0.003 0.000 2.683 69 F HA 0.343 4.868 4.527 -0.004 0.000 0.306 69 F C -0.337 175.465 175.800 0.004 0.000 1.102 69 F CA -0.715 57.290 58.000 0.007 0.000 1.244 69 F CB 0.467 39.477 39.000 0.016 0.000 1.029 69 F HN -0.039 nan 8.300 nan 0.000 0.545 70 D N 1.621 122.086 120.400 0.109 0.000 2.686 70 D HA -0.208 4.429 4.640 -0.004 0.000 0.235 70 D C 0.383 176.732 176.300 0.082 0.000 1.160 70 D CA 1.342 55.384 54.000 0.070 0.000 0.645 70 D CB -0.884 39.947 40.800 0.053 0.000 1.039 70 D HN 0.366 nan 8.370 nan 0.000 0.423 71 T N -1.313 113.299 114.554 0.096 0.000 2.843 71 T HA 0.278 4.626 4.350 -0.004 0.000 0.302 71 T C -0.446 174.289 174.700 0.059 0.000 1.232 71 T CA -0.623 61.522 62.100 0.075 0.000 1.009 71 T CB 1.916 70.832 68.868 0.081 0.000 1.254 71 T HN -0.181 nan 8.240 nan 0.000 0.504 72 D N 1.006 121.431 120.400 0.042 0.000 2.398 72 D HA 0.249 4.887 4.640 -0.004 0.000 0.210 72 D C 0.062 176.382 176.300 0.033 0.000 1.094 72 D CA 0.188 54.206 54.000 0.031 0.000 0.839 72 D CB 0.945 41.763 40.800 0.030 0.000 0.963 72 D HN 0.334 nan 8.370 nan 0.000 0.506 73 S N 0.809 116.531 115.700 0.037 0.000 2.548 73 S HA 0.420 4.888 4.470 -0.004 0.000 0.286 73 S C -2.288 172.324 174.600 0.021 0.000 1.098 73 S CA -1.399 56.822 58.200 0.035 0.000 0.930 73 S CB 2.355 65.575 63.200 0.032 0.000 1.070 73 S HN -0.251 nan 8.310 nan 0.000 0.480 74 P HA 0.106 nan 4.420 nan 0.000 0.255 74 P C 0.108 177.384 177.300 -0.040 0.000 1.248 74 P CA 0.014 63.104 63.100 -0.016 0.000 0.807 74 P CB -0.088 31.614 31.700 0.002 0.000 1.150 75 E N 0.819 121.008 120.200 -0.018 0.000 2.465 75 E HA 0.193 4.541 4.350 -0.004 0.000 0.260 75 E C 0.982 177.556 176.600 -0.043 0.000 0.980 75 E CA 0.917 57.304 56.400 -0.022 0.000 0.927 75 E CB -0.370 29.327 29.700 -0.005 0.000 0.934 75 E HN 0.240 nan 8.360 nan 0.000 0.459 76 G N 3.767 112.541 108.800 -0.045 0.000 2.225 76 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.254 76 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.254 76 G C 0.175 175.021 174.900 -0.089 0.000 0.988 76 G CA 0.219 45.287 45.100 -0.053 0.000 0.625 76 G HN 0.490 nan 8.290 nan 0.000 0.527 77 L N 2.639 123.786 121.223 -0.128 0.000 2.290 77 L HA 0.476 4.814 4.340 -0.004 0.000 0.284 77 L C 1.436 178.230 176.870 -0.127 0.000 1.078 77 L CA -0.132 54.585 54.840 -0.206 0.000 0.815 77 L CB 1.186 43.036 42.059 -0.348 0.000 1.162 77 L HN 0.381 nan 8.230 nan 0.000 0.435 78 T N 0.012 114.502 114.554 -0.107 0.000 2.926 78 T HA 0.136 4.484 4.350 -0.004 0.000 0.307 78 T C -1.798 172.887 174.700 -0.024 0.000 1.059 78 T CA -1.488 60.584 62.100 -0.045 0.000 1.122 78 T CB 0.934 69.787 68.868 -0.025 0.000 0.972 78 T HN 0.359 nan 8.240 nan 0.000 0.545 79 P HA -0.091 nan 4.420 nan 0.000 0.220 79 P C 0.985 178.318 177.300 0.056 0.000 1.144 79 P CA 0.965 64.101 63.100 0.059 0.000 0.800 79 P CB 0.054 31.810 31.700 0.092 0.000 0.772 80 E N -0.923 119.301 120.200 0.040 0.000 2.158 80 E HA -0.112 4.236 4.350 -0.004 0.000 0.191 80 E C 2.073 178.720 176.600 0.079 0.000 0.982 80 E CA 0.948 57.378 56.400 0.050 0.000 0.823 80 E CB -0.611 29.113 29.700 0.039 0.000 0.766 80 E HN 0.391 nan 8.360 nan 0.000 0.468 81 Q N 0.030 119.863 119.800 0.054 0.000 2.083 81 Q HA 0.021 4.359 4.340 -0.004 0.000 0.198 81 Q C 2.099 178.220 176.000 0.202 0.000 0.969 81 Q CA 0.786 56.659 55.803 0.117 0.000 0.838 81 Q CB -0.041 28.575 28.738 -0.203 0.000 0.900 81 Q HN 0.266 nan 8.270 nan 0.000 0.436 82 L N 0.260 121.526 121.223 0.072 0.000 2.201 82 L HA -0.116 4.221 4.340 -0.004 0.000 0.212 82 L C 1.969 178.962 176.870 0.205 0.000 1.105 82 L CA 0.598 55.526 54.840 0.145 0.000 0.775 82 L CB -0.145 41.954 42.059 0.068 0.000 0.913 82 L HN 0.078 nan 8.230 nan 0.000 0.440 83 S N -0.564 115.227 115.700 0.152 0.000 2.607 83 S HA -0.060 4.408 4.470 -0.004 0.000 0.224 83 S C 1.441 176.127 174.600 0.144 0.000 0.969 83 S CA 0.512 58.787 58.200 0.125 0.000 0.927 83 S CB -0.156 63.080 63.200 0.060 0.000 0.772 83 S HN 0.479 nan 8.310 nan 0.000 0.533 84 E N 0.605 120.921 120.200 0.193 0.000 2.474 84 E HA 0.154 4.502 4.350 -0.004 0.000 0.194 84 E C 1.366 178.045 176.600 0.132 0.000 1.041 84 E CA 0.129 56.617 56.400 0.148 0.000 0.874 84 E CB 0.031 29.826 29.700 0.158 0.000 0.914 84 E HN 0.454 nan 8.360 nan 0.000 0.498 85 L N 0.760 122.117 121.223 0.223 0.000 2.127 85 L HA -0.004 4.334 4.340 -0.004 0.000 0.203 85 L C -0.685 176.232 176.870 0.080 0.000 1.080 85 L CA 0.675 55.629 54.840 0.190 0.000 0.768 85 L CB -1.379 40.921 42.059 0.402 0.000 0.924 85 L HN 0.021 nan 8.230 nan 0.000 0.444 86 P HA -0.248 nan 4.420 nan 0.000 0.216 86 P C 1.533 178.937 177.300 0.174 0.000 1.154 86 P CA 1.460 64.708 63.100 0.247 0.000 0.865 86 P CB -0.175 31.732 31.700 0.345 0.000 0.789 87 Q N -0.520 119.342 119.800 0.103 0.000 2.170 87 Q HA -0.138 4.200 4.340 -0.004 0.000 0.203 87 Q C 2.088 178.080 176.000 -0.012 0.000 0.976 87 Q CA 1.538 57.375 55.803 0.056 0.000 0.858 87 Q CB -1.255 27.492 28.738 0.015 0.000 0.907 87 Q HN 0.316 nan 8.270 nan 0.000 0.433 88 I N 0.921 121.450 120.570 -0.068 0.000 2.353 88 I HA -0.184 3.984 4.170 -0.004 0.000 0.248 88 I C 2.373 178.364 176.117 -0.210 0.000 1.119 88 I CA 0.593 61.818 61.300 -0.125 0.000 1.417 88 I CB -0.153 37.767 38.000 -0.133 0.000 1.078 88 I HN -0.018 nan 8.210 nan 0.000 0.421 89 V N 0.572 120.267 119.914 -0.365 0.000 2.270 89 V HA -0.248 3.870 4.120 -0.004 0.000 0.245 89 V C 1.932 177.657 176.094 -0.615 0.000 1.043 89 V CA 2.058 63.947 62.300 -0.684 0.000 1.014 89 V CB -0.581 30.440 31.823 -1.337 0.000 0.645 89 V HN 0.276 nan 8.190 nan 0.000 0.447 90 F N 0.273 120.156 119.950 -0.112 0.000 2.746 90 F HA 0.354 4.879 4.527 -0.004 0.000 0.297 90 F C 2.072 177.904 175.800 0.053 0.000 1.113 90 F CA 0.701 58.697 58.000 -0.007 0.000 1.367 90 F CB -0.346 38.674 39.000 0.034 0.000 1.111 90 F HN 0.157 nan 8.300 nan 0.000 0.590 91 G N -0.649 108.215 108.800 0.107 0.000 2.719 91 G HA2 0.065 4.022 3.960 -0.004 0.000 0.211 91 G HA3 0.065 4.022 3.960 -0.004 0.000 0.211 91 G C 1.600 176.485 174.900 -0.025 0.000 1.140 91 G CA 0.125 45.230 45.100 0.010 0.000 0.790 91 G HN 0.219 nan 8.290 nan 0.000 0.529 92 R N -0.948 119.525 120.500 -0.045 0.000 3.275 92 R HA 0.187 4.525 4.340 -0.004 0.000 0.154 92 R C 2.251 178.513 176.300 -0.063 0.000 0.843 92 R CA 0.498 56.562 56.100 -0.060 0.000 1.027 92 R CB -0.276 29.976 30.300 -0.081 0.000 1.423 92 R HN 0.023 nan 8.270 nan 0.000 0.530 93 V N 2.248 122.097 119.914 -0.108 0.000 2.233 93 V HA -0.280 3.838 4.120 -0.004 0.000 0.247 93 V C 2.449 178.492 176.094 -0.085 0.000 1.050 93 V CA 2.121 64.352 62.300 -0.115 0.000 1.010 93 V CB -0.397 31.316 31.823 -0.183 0.000 0.637 93 V HN 0.343 nan 8.190 nan 0.000 0.444 94 I N -0.258 120.247 120.570 -0.108 0.000 2.286 94 I HA -0.109 4.059 4.170 -0.004 0.000 0.245 94 I C -0.179 175.961 176.117 0.038 0.000 1.104 94 I CA 1.335 62.608 61.300 -0.046 0.000 1.397 94 I CB -1.450 36.506 38.000 -0.072 0.000 1.072 94 I HN 0.365 nan 8.210 nan 0.000 0.417 95 P HA -0.222 nan 4.420 nan 0.000 0.215 95 P C 1.500 178.869 177.300 0.115 0.000 1.153 95 P CA 1.366 64.543 63.100 0.127 0.000 0.853 95 P CB 0.003 31.787 31.700 0.141 0.000 0.788 96 Q N 0.130 119.964 119.800 0.056 0.000 2.030 96 Q HA -0.238 4.100 4.340 -0.004 0.000 0.204 96 Q C 2.355 178.427 176.000 0.119 0.000 0.986 96 Q CA 1.946 57.784 55.803 0.059 0.000 0.843 96 Q CB -0.796 27.945 28.738 0.005 0.000 0.904 96 Q HN -0.124 nan 8.270 nan 0.000 0.420 97 R N -0.531 120.012 120.500 0.072 0.000 2.080 97 R HA -0.081 4.257 4.340 -0.004 0.000 0.236 97 R C 2.114 178.464 176.300 0.083 0.000 1.137 97 R CA 1.968 58.107 56.100 0.065 0.000 0.943 97 R CB -0.990 29.329 30.300 0.032 0.000 0.846 97 R HN 0.263 nan 8.270 nan 0.000 0.431 98 V N 0.795 120.764 119.914 0.092 0.000 2.343 98 V HA -0.203 3.914 4.120 -0.004 0.000 0.247 98 V C 2.113 178.262 176.094 0.091 0.000 1.051 98 V CA 1.996 64.345 62.300 0.081 0.000 1.036 98 V CB -0.762 31.112 31.823 0.084 0.000 0.654 98 V HN 0.352 nan 8.190 nan 0.000 0.451 99 F N 1.527 121.478 119.950 0.001 0.000 2.095 99 F HA -0.220 4.305 4.527 -0.004 0.000 0.298 99 F C 2.219 178.012 175.800 -0.012 0.000 1.104 99 F CA 2.134 60.128 58.000 -0.011 0.000 1.232 99 F CB -0.323 38.673 39.000 -0.007 0.000 0.987 99 F HN 0.199 nan 8.300 nan 0.000 0.475 100 D N 0.304 120.786 120.400 0.135 0.000 2.144 100 D HA -0.164 4.474 4.640 -0.004 0.000 0.199 100 D C 2.058 178.314 176.300 -0.075 0.000 0.984 100 D CA 1.612 55.628 54.000 0.027 0.000 0.834 100 D CB -0.284 40.576 40.800 0.101 0.000 0.955 100 D HN 0.550 nan 8.370 nan 0.000 0.465 101 E N -0.319 119.852 120.200 -0.048 0.000 2.250 101 E HA 0.070 4.418 4.350 -0.004 0.000 0.192 101 E C 2.091 178.641 176.600 -0.083 0.000 0.986 101 E CA 0.083 56.456 56.400 -0.046 0.000 0.849 101 E CB 0.273 29.969 29.700 -0.006 0.000 0.797 101 E HN 0.228 nan 8.360 nan 0.000 0.482 102 L N 0.702 121.848 121.223 -0.130 0.000 2.375 102 L HA -0.043 4.294 4.340 -0.004 0.000 0.215 102 L C 2.574 179.318 176.870 -0.210 0.000 1.108 102 L CA 0.434 55.187 54.840 -0.145 0.000 0.830 102 L CB -0.055 41.924 42.059 -0.134 0.000 0.959 102 L HN 0.154 nan 8.230 nan 0.000 0.457 103 Q N 0.907 120.511 119.800 -0.327 0.000 2.030 103 Q HA -0.179 4.159 4.340 -0.004 0.000 0.204 103 Q C -0.621 175.266 176.000 -0.189 0.000 0.986 103 Q CA 2.111 57.705 55.803 -0.348 0.000 0.843 103 Q CB -0.543 27.899 28.738 -0.493 0.000 0.904 103 Q HN 0.287 nan 8.270 nan 0.000 0.420 104 P HA -0.099 nan 4.420 nan 0.000 0.219 104 P C 1.338 178.597 177.300 -0.069 0.000 1.150 104 P CA 0.973 64.022 63.100 -0.085 0.000 0.814 104 P CB 0.014 31.677 31.700 -0.062 0.000 0.787 105 V N 0.924 120.794 119.914 -0.074 0.000 2.261 105 V HA -0.221 3.897 4.120 -0.004 0.000 0.246 105 V C 2.718 178.778 176.094 -0.056 0.000 1.047 105 V CA 1.649 63.917 62.300 -0.053 0.000 1.015 105 V CB -1.065 30.729 31.823 -0.048 0.000 0.642 105 V HN -0.012 nan 8.190 nan 0.000 0.446 106 I N -0.070 120.451 120.570 -0.081 0.000 2.423 106 I HA -0.250 3.918 4.170 -0.004 0.000 0.254 106 I C 2.541 178.621 176.117 -0.061 0.000 1.151 106 I CA 1.538 62.791 61.300 -0.077 0.000 1.421 106 I CB -0.321 37.616 38.000 -0.105 0.000 1.079 106 I HN 0.382 nan 8.210 nan 0.000 0.431 107 E N 1.428 121.589 120.200 -0.065 0.000 2.051 107 E HA -0.194 4.154 4.350 -0.004 0.000 0.192 107 E C 2.297 178.878 176.600 -0.031 0.000 0.991 107 E CA 1.525 57.895 56.400 -0.049 0.000 0.799 107 E CB 0.049 29.717 29.700 -0.052 0.000 0.748 107 E HN 0.316 nan 8.360 nan 0.000 0.449 108 R N -0.524 119.960 120.500 -0.027 0.000 2.093 108 R HA -0.008 4.330 4.340 -0.004 0.000 0.224 108 R C 2.340 178.636 176.300 -0.006 0.000 1.101 108 R CA 1.014 57.106 56.100 -0.013 0.000 0.979 108 R CB -0.332 29.962 30.300 -0.010 0.000 0.877 108 R HN 0.192 nan 8.270 nan 0.000 0.441 109 L N 1.971 123.189 121.223 -0.009 0.000 2.240 109 L HA -0.035 4.303 4.340 -0.004 0.000 0.211 109 L C 0.386 177.259 176.870 0.005 0.000 1.106 109 L CA 1.064 55.904 54.840 0.001 0.000 0.793 109 L CB -0.345 41.712 42.059 -0.004 0.000 0.927 109 L HN 0.210 nan 8.230 nan 0.000 0.446 110 R N -1.135 119.360 120.500 -0.007 0.000 3.158 110 R HA -0.150 4.188 4.340 -0.004 0.000 0.244 110 R C -2.323 173.982 176.300 0.008 0.000 0.900 110 R CA 0.518 56.616 56.100 -0.004 0.000 0.618 110 R CB -2.736 27.565 30.300 0.003 0.000 1.061 110 R HN 0.351 nan 8.270 nan 0.000 0.471 111 P HA 0.034 nan 4.420 nan 0.000 0.271 111 P C -0.074 177.224 177.300 -0.003 0.000 1.218 111 P CA -0.075 63.021 63.100 -0.007 0.000 0.780 111 P CB 0.680 32.354 31.700 -0.043 0.000 0.901 112 D N 0.709 121.120 120.400 0.019 0.000 2.224 112 D HA 0.008 4.646 4.640 -0.004 0.000 0.205 112 D C 0.534 176.819 176.300 -0.025 0.000 0.965 112 D CA 1.306 55.320 54.000 0.023 0.000 0.852 112 D CB 0.276 41.121 40.800 0.075 0.000 0.947 112 D HN 0.188 nan 8.370 nan 0.000 0.494 113 L N 0.183 121.367 121.223 -0.065 0.000 2.505 113 L HA 0.288 4.626 4.340 -0.004 0.000 0.259 113 L C -1.670 175.101 176.870 -0.165 0.000 0.952 113 L CA -0.688 54.090 54.840 -0.104 0.000 0.840 113 L CB 2.512 44.506 42.059 -0.108 0.000 1.358 113 L HN -0.370 nan 8.230 nan 0.000 0.409 114 V N 4.813 124.612 119.914 -0.192 0.000 2.409 114 V HA 0.501 4.619 4.120 -0.004 0.000 0.291 114 V C -0.541 175.346 176.094 -0.346 0.000 1.020 114 V CA -0.703 61.444 62.300 -0.255 0.000 0.848 114 V CB 1.862 33.568 31.823 -0.195 0.000 0.990 114 V HN 0.490 nan 8.190 nan 0.000 0.430 115 V N 5.458 125.047 119.914 -0.542 0.000 2.320 115 V HA 0.293 4.411 4.120 -0.004 0.000 0.265 115 V C 0.272 176.103 176.094 -0.438 0.000 1.048 115 V CA -0.280 61.651 62.300 -0.614 0.000 0.865 115 V CB 1.057 32.153 31.823 -1.211 0.000 1.043 115 V HN 0.910 nan 8.190 nan 0.000 0.474 116 Q N 4.471 124.108 119.800 -0.271 0.000 2.322 116 Q HA 0.208 4.546 4.340 -0.004 0.000 0.256 116 Q C 0.134 176.058 176.000 -0.127 0.000 0.960 116 Q CA -0.400 55.297 55.803 -0.178 0.000 0.934 116 Q CB 1.063 29.736 28.738 -0.108 0.000 1.200 116 Q HN 0.773 nan 8.270 nan 0.000 0.435 117 E N 4.666 124.800 120.200 -0.110 0.000 2.452 117 E HA -0.114 4.234 4.350 -0.004 0.000 0.261 117 E C 0.828 177.387 176.600 -0.067 0.000 0.987 117 E CA 0.041 56.408 56.400 -0.054 0.000 0.926 117 E CB 0.606 30.300 29.700 -0.010 0.000 0.934 117 E HN 0.889 nan 8.360 nan 0.000 0.452 118 I N 3.572 124.115 120.570 -0.045 0.000 2.194 118 I HA -0.307 3.860 4.170 -0.004 0.000 0.246 118 I C 1.521 177.447 176.117 -0.318 0.000 1.093 118 I CA 1.506 62.766 61.300 -0.067 0.000 1.355 118 I CB 0.081 38.126 38.000 0.074 0.000 1.046 118 I HN 0.332 nan 8.210 nan 0.000 0.413 119 S N 0.781 116.338 115.700 -0.239 0.000 2.593 119 S HA 0.026 4.494 4.470 -0.004 0.000 0.217 119 S C 0.801 175.139 174.600 -0.435 0.000 0.966 119 S CA -0.051 57.891 58.200 -0.430 0.000 0.914 119 S CB -0.489 62.688 63.200 -0.040 0.000 0.776 119 S HN 0.422 nan 8.310 nan 0.000 0.523 120 N N 1.181 119.710 118.700 -0.285 0.000 3.331 120 N HA 0.158 4.895 4.740 -0.004 0.000 0.303 120 N C 0.199 175.684 175.510 -0.041 0.000 1.326 120 N CA -0.300 52.686 53.050 -0.107 0.000 1.207 120 N CB -0.416 38.043 38.487 -0.047 0.000 1.477 120 N HN 0.254 nan 8.380 nan 0.000 0.541 121 Y N -0.367 120.044 120.300 0.186 0.000 2.207 121 Y HA -0.051 4.497 4.550 -0.003 0.000 0.287 121 Y C 2.378 178.390 175.900 0.186 0.000 1.156 121 Y CA 1.391 59.663 58.100 0.287 0.000 1.182 121 Y CB -0.576 38.053 38.460 0.282 0.000 0.979 121 Y HN 0.372 nan 8.280 nan 0.000 0.521 122 G N -0.139 108.827 108.800 0.276 0.000 2.469 122 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.219 122 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.219 122 G C 1.917 176.916 174.900 0.166 0.000 1.150 122 G CA 1.137 46.371 45.100 0.223 0.000 0.763 122 G HN 0.497 nan 8.290 nan 0.000 0.561 123 A N 0.669 123.535 122.820 0.075 0.000 1.969 123 A HA 0.230 4.548 4.320 -0.004 0.000 0.218 123 A C 2.679 180.216 177.584 -0.077 0.000 1.169 123 A CA 1.901 53.930 52.037 -0.013 0.000 0.635 123 A CB -0.849 18.121 19.000 -0.049 0.000 0.810 123 A HN 0.508 nan 8.150 nan 0.000 0.445 124 G N -0.223 108.517 108.800 -0.099 0.000 2.408 124 G HA2 -0.108 3.850 3.960 -0.004 0.000 0.217 124 G HA3 -0.108 3.850 3.960 -0.004 0.000 0.217 124 G C 1.530 176.059 174.900 -0.618 0.000 1.150 124 G CA 0.975 45.831 45.100 -0.407 0.000 0.776 124 G HN 0.428 nan 8.290 nan 0.000 0.542 125 L N 0.469 121.501 121.223 -0.318 0.000 2.072 125 L HA 0.053 4.391 4.340 -0.004 0.000 0.205 125 L C 3.387 180.340 176.870 0.138 0.000 1.079 125 L CA 0.845 55.610 54.840 -0.124 0.000 0.752 125 L CB -0.378 41.698 42.059 0.029 0.000 0.906 125 L HN 0.286 nan 8.230 nan 0.000 0.436 126 A N 0.243 123.187 122.820 0.207 0.000 1.877 126 A HA -0.187 4.131 4.320 -0.004 0.000 0.216 126 A C 2.511 180.048 177.584 -0.078 0.000 1.186 126 A CA 1.850 53.877 52.037 -0.016 0.000 0.620 126 A CB -0.718 18.151 19.000 -0.218 0.000 0.822 126 A HN 0.392 nan 8.150 nan 0.000 0.443 127 A N -0.672 122.083 122.820 -0.108 0.000 1.930 127 A HA 0.032 4.350 4.320 -0.004 0.000 0.217 127 A C 2.111 179.634 177.584 -0.102 0.000 1.175 127 A CA 1.640 53.606 52.037 -0.118 0.000 0.627 127 A CB -0.580 18.335 19.000 -0.142 0.000 0.815 127 A HN 0.698 nan 8.150 nan 0.000 0.443 128 L N 0.187 121.331 121.223 -0.131 0.000 1.989 128 L HA -0.150 4.188 4.340 -0.004 0.000 0.211 128 L C 2.260 179.111 176.870 -0.032 0.000 1.071 128 L CA 2.743 57.521 54.840 -0.102 0.000 0.749 128 L CB -0.643 41.315 42.059 -0.168 0.000 0.890 128 L HN 0.448 nan 8.230 nan 0.000 0.431 129 K N -0.746 119.662 120.400 0.014 0.000 2.097 129 K HA -0.103 4.215 4.320 -0.004 0.000 0.206 129 K C 1.787 178.392 176.600 0.008 0.000 1.049 129 K CA 1.237 57.553 56.287 0.048 0.000 0.933 129 K CB -0.217 32.374 32.500 0.152 0.000 0.717 129 K HN 0.455 nan 8.250 nan 0.000 0.442 130 A N 0.235 123.041 122.820 -0.023 0.000 2.206 130 A HA 0.153 4.471 4.320 -0.004 0.000 0.211 130 A C 1.275 178.840 177.584 -0.033 0.000 1.158 130 A CA 0.850 52.863 52.037 -0.039 0.000 0.761 130 A CB -0.504 18.456 19.000 -0.066 0.000 0.801 130 A HN 0.551 nan 8.150 nan 0.000 0.473 131 G N -0.423 108.359 108.800 -0.030 0.000 2.198 131 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.260 131 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.260 131 G C -0.016 174.866 174.900 -0.031 0.000 1.025 131 G CA 0.307 45.392 45.100 -0.025 0.000 0.769 131 G HN 0.360 nan 8.290 nan 0.000 0.507 132 I N 0.645 121.188 120.570 -0.046 0.000 2.441 132 I HA 0.240 4.408 4.170 -0.004 0.000 0.287 132 I C -1.704 174.381 176.117 -0.053 0.000 1.049 132 I CA -2.916 58.354 61.300 -0.050 0.000 1.381 132 I CB 0.486 38.446 38.000 -0.068 0.000 1.409 132 I HN -0.139 nan 8.210 nan 0.000 0.523 133 P HA 0.066 nan 4.420 nan 0.000 0.261 133 P C -0.559 176.697 177.300 -0.072 0.000 1.183 133 P CA 0.561 63.639 63.100 -0.035 0.000 0.761 133 P CB 0.365 32.059 31.700 -0.009 0.000 0.785 134 T N 3.846 118.347 114.554 -0.087 0.000 2.900 134 T HA 0.688 5.036 4.350 -0.004 0.000 0.295 134 T C -0.002 174.592 174.700 -0.176 0.000 1.044 134 T CA -0.541 61.478 62.100 -0.135 0.000 0.995 134 T CB 0.851 69.647 68.868 -0.121 0.000 1.072 134 T HN 0.285 nan 8.240 nan 0.000 0.473 135 I N -1.077 119.341 120.570 -0.254 0.000 2.646 135 I HA 0.766 4.934 4.170 -0.004 0.000 0.299 135 I C -0.446 175.512 176.117 -0.265 0.000 1.036 135 I CA -0.988 60.109 61.300 -0.338 0.000 1.074 135 I CB 1.628 39.280 38.000 -0.580 0.000 1.258 135 I HN 0.629 nan 8.210 nan 0.000 0.430 136 C N 5.435 124.583 119.300 -0.254 0.000 2.285 136 C HA 0.411 4.869 4.460 -0.004 0.000 0.335 136 C C -0.061 174.583 174.990 -0.577 0.000 1.267 136 C CA -0.078 58.764 59.018 -0.292 0.000 1.762 136 C CB -0.562 27.104 27.740 -0.124 0.000 2.365 136 C HN 0.836 nan 8.230 nan 0.000 0.527 137 H N 3.954 122.743 119.070 -0.469 0.000 2.556 137 H HA 0.429 4.983 4.556 -0.004 0.000 0.310 137 H C 0.444 175.557 175.328 -0.358 0.000 1.057 137 H CA 0.375 56.182 56.048 -0.402 0.000 1.264 137 H CB 1.215 30.859 29.762 -0.197 0.000 1.404 137 H HN 0.934 nan 8.280 nan 0.000 0.462 138 G N 2.153 110.798 108.800 -0.258 0.000 2.572 138 G HA2 0.337 4.294 3.960 -0.004 0.000 0.261 138 G HA3 0.337 4.294 3.960 -0.004 0.000 0.261 138 G C 0.900 175.951 174.900 0.252 0.000 1.197 138 G CA 0.060 45.210 45.100 0.082 0.000 0.870 138 G HN 0.569 nan 8.290 nan 0.000 0.548 139 V N -1.746 118.271 119.914 0.173 0.000 3.562 139 V HA 0.675 4.793 4.120 -0.004 0.000 0.270 139 V C 0.915 177.092 176.094 0.138 0.000 1.418 139 V CA 1.086 63.461 62.300 0.125 0.000 1.033 139 V CB -0.123 31.683 31.823 -0.027 0.000 0.820 139 V HN 1.252 nan 8.190 nan 0.000 0.441 140 G N 0.072 108.952 108.800 0.133 0.000 2.604 140 G HA2 0.422 4.380 3.960 -0.004 0.000 0.242 140 G HA3 0.422 4.380 3.960 -0.004 0.000 0.242 140 G C -1.296 173.514 174.900 -0.150 0.000 1.208 140 G CA -0.804 44.385 45.100 0.147 0.000 0.912 140 G HN 0.261 nan 8.290 nan 0.000 0.502 141 R N 0.291 120.357 120.500 -0.725 0.000 2.641 141 R HA 0.312 4.650 4.340 -0.004 0.000 0.269 141 R C -0.729 175.196 176.300 -0.625 0.000 1.074 141 R CA -0.281 55.106 56.100 -1.187 0.000 1.133 141 R CB 0.603 30.012 30.300 -1.484 0.000 1.029 141 R HN 0.494 nan 8.270 nan 0.000 0.488 142 D N 0.857 120.858 120.400 -0.664 0.000 2.390 142 D HA 0.004 4.642 4.640 -0.004 0.000 0.249 142 D C -0.829 175.237 176.300 -0.389 0.000 1.144 142 D CA 0.437 54.040 54.000 -0.661 0.000 0.880 142 D CB 0.842 41.055 40.800 -0.979 0.000 1.182 142 D HN 0.486 nan 8.370 nan 0.000 0.451 143 T N 1.872 116.257 114.554 -0.281 0.000 3.060 143 T HA 0.419 4.767 4.350 -0.004 0.000 0.367 143 T C -2.446 172.179 174.700 -0.125 0.000 1.229 143 T CA -1.731 60.265 62.100 -0.173 0.000 1.104 143 T CB 1.570 70.362 68.868 -0.127 0.000 1.083 143 T HN 0.186 nan 8.240 nan 0.000 0.524 144 P HA 0.271 nan 4.420 nan 0.000 0.220 144 P C -0.922 176.339 177.300 -0.064 0.000 1.806 144 P CA -0.096 62.958 63.100 -0.077 0.000 0.976 144 P CB -0.264 31.397 31.700 -0.065 0.000 1.952 145 D N -1.236 119.127 120.400 -0.063 0.000 2.449 145 D HA 0.160 4.798 4.640 -0.004 0.000 0.250 145 D C 0.590 176.859 176.300 -0.051 0.000 1.050 145 D CA -0.716 53.249 54.000 -0.059 0.000 1.024 145 D CB 0.264 41.026 40.800 -0.063 0.000 1.218 145 D HN -0.297 nan 8.370 nan 0.000 0.566 146 D N -0.662 119.706 120.400 -0.052 0.000 2.106 146 D HA -0.143 4.495 4.640 -0.004 0.000 0.191 146 D C 1.831 178.110 176.300 -0.035 0.000 0.997 146 D CA 1.024 54.998 54.000 -0.044 0.000 0.834 146 D CB -0.279 40.493 40.800 -0.046 0.000 0.956 146 D HN 0.329 nan 8.370 nan 0.000 0.448 147 L N 0.559 121.762 121.223 -0.033 0.000 2.013 147 L HA -0.211 4.127 4.340 -0.004 0.000 0.212 147 L C 2.051 178.915 176.870 -0.009 0.000 1.073 147 L CA 1.962 56.793 54.840 -0.014 0.000 0.753 147 L CB -1.059 40.993 42.059 -0.012 0.000 0.890 147 L HN 0.010 nan 8.230 nan 0.000 0.432 148 T N -0.320 114.223 114.554 -0.019 0.000 2.777 148 T HA -0.119 4.228 4.350 -0.004 0.000 0.266 148 T C 1.924 176.602 174.700 -0.036 0.000 1.040 148 T CA 1.514 63.607 62.100 -0.013 0.000 1.141 148 T CB -0.177 68.679 68.868 -0.021 0.000 0.868 148 T HN 0.407 nan 8.240 nan 0.000 0.444 149 R N 1.090 121.563 120.500 -0.045 0.000 2.081 149 R HA -0.006 4.332 4.340 -0.004 0.000 0.235 149 R C 2.865 179.127 176.300 -0.063 0.000 1.131 149 R CA 1.428 57.494 56.100 -0.058 0.000 0.960 149 R CB -0.430 29.840 30.300 -0.050 0.000 0.856 149 R HN 0.254 nan 8.270 nan 0.000 0.436 150 S N 1.303 116.976 115.700 -0.046 0.000 2.356 150 S HA -0.094 4.374 4.470 -0.004 0.000 0.223 150 S C 2.049 176.615 174.600 -0.056 0.000 1.032 150 S CA 1.128 59.303 58.200 -0.042 0.000 1.005 150 S CB -0.211 62.977 63.200 -0.020 0.000 0.867 150 S HN 0.212 nan 8.310 nan 0.000 0.449 151 I N 1.628 122.171 120.570 -0.046 0.000 2.264 151 I HA -0.212 3.955 4.170 -0.004 0.000 0.248 151 I C 2.496 178.492 176.117 -0.201 0.000 1.111 151 I CA 1.314 62.575 61.300 -0.065 0.000 1.382 151 I CB -0.447 37.560 38.000 0.011 0.000 1.060 151 I HN 0.360 nan 8.210 nan 0.000 0.418 152 E N 0.400 120.470 120.200 -0.218 0.000 2.106 152 E HA -0.192 4.155 4.350 -0.004 0.000 0.192 152 E C 2.045 178.520 176.600 -0.209 0.000 0.984 152 E CA 0.784 57.006 56.400 -0.296 0.000 0.806 152 E CB 0.017 29.587 29.700 -0.217 0.000 0.750 152 E HN 0.408 nan 8.360 nan 0.000 0.458 153 E N 0.848 120.965 120.200 -0.139 0.000 2.152 153 E HA -0.141 4.207 4.350 -0.004 0.000 0.192 153 E C 1.905 178.443 176.600 -0.102 0.000 0.983 153 E CA 0.662 57.000 56.400 -0.105 0.000 0.818 153 E CB -0.016 29.637 29.700 -0.077 0.000 0.758 153 E HN 0.261 nan 8.360 nan 0.000 0.467 154 E N 0.536 120.671 120.200 -0.108 0.000 2.106 154 E HA -0.094 4.254 4.350 -0.004 0.000 0.192 154 E C 2.291 178.825 176.600 -0.111 0.000 0.984 154 E CA 0.537 56.878 56.400 -0.098 0.000 0.806 154 E CB -0.098 29.551 29.700 -0.084 0.000 0.750 154 E HN 0.086 nan 8.360 nan 0.000 0.458 155 V N 1.463 121.278 119.914 -0.165 0.000 2.343 155 V HA -0.250 3.868 4.120 -0.004 0.000 0.247 155 V C 2.612 178.651 176.094 -0.092 0.000 1.051 155 V CA 1.898 64.103 62.300 -0.159 0.000 1.036 155 V CB -0.538 31.076 31.823 -0.349 0.000 0.654 155 V HN 0.200 nan 8.190 nan 0.000 0.451 156 R N 0.226 120.666 120.500 -0.101 0.000 2.073 156 R HA -0.141 4.197 4.340 -0.004 0.000 0.234 156 R C 2.377 178.642 176.300 -0.058 0.000 1.134 156 R CA 1.806 57.868 56.100 -0.064 0.000 0.952 156 R CB -0.764 29.495 30.300 -0.069 0.000 0.850 156 R HN 0.538 nan 8.270 nan 0.000 0.433 157 G N 1.338 110.097 108.800 -0.069 0.000 2.418 157 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.217 157 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.217 157 G C 1.302 176.157 174.900 -0.075 0.000 1.158 157 G CA 0.700 45.761 45.100 -0.066 0.000 0.771 157 G HN 0.323 nan 8.290 nan 0.000 0.545 158 L N 1.430 122.602 121.223 -0.085 0.000 2.083 158 L HA 0.172 4.509 4.340 -0.004 0.000 0.209 158 L C 3.021 179.807 176.870 -0.140 0.000 1.083 158 L CA 2.003 56.777 54.840 -0.110 0.000 0.752 158 L CB -0.827 41.169 42.059 -0.104 0.000 0.899 158 L HN 0.244 nan 8.230 nan 0.000 0.433 159 A N -0.884 121.877 122.820 -0.098 0.000 1.865 159 A HA -0.286 4.032 4.320 -0.004 0.000 0.217 159 A C 2.150 179.681 177.584 -0.087 0.000 1.191 159 A CA 1.937 53.921 52.037 -0.089 0.000 0.623 159 A CB -0.678 18.318 19.000 -0.006 0.000 0.826 159 A HN 0.641 nan 8.150 nan 0.000 0.444 160 Q N -0.606 119.156 119.800 -0.063 0.000 2.045 160 Q HA -0.234 4.103 4.340 -0.004 0.000 0.206 160 Q C 2.287 178.249 176.000 -0.065 0.000 0.991 160 Q CA 1.965 57.737 55.803 -0.053 0.000 0.851 160 Q CB -0.298 28.414 28.738 -0.044 0.000 0.911 160 Q HN 0.621 nan 8.270 nan 0.000 0.418 161 R N 0.287 120.740 120.500 -0.079 0.000 2.200 161 R HA -0.083 4.255 4.340 -0.004 0.000 0.234 161 R C 1.806 178.048 176.300 -0.098 0.000 1.127 161 R CA 0.814 56.866 56.100 -0.079 0.000 0.989 161 R CB -0.203 30.048 30.300 -0.082 0.000 0.869 161 R HN 0.284 nan 8.270 nan 0.000 0.459 162 L N -0.347 120.787 121.223 -0.148 0.000 2.611 162 L HA 0.193 4.531 4.340 -0.004 0.000 0.229 162 L C 1.040 177.854 176.870 -0.093 0.000 1.137 162 L CA 0.271 54.998 54.840 -0.188 0.000 0.901 162 L CB 0.264 42.053 42.059 -0.451 0.000 1.098 162 L HN 0.433 nan 8.230 nan 0.000 0.456 163 G N 0.682 109.445 108.800 -0.062 0.000 2.159 163 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.256 163 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.256 163 G C 0.113 175.001 174.900 -0.020 0.000 0.977 163 G CA -0.208 44.876 45.100 -0.027 0.000 0.652 163 G HN 0.251 nan 8.290 nan 0.000 0.531 164 L N 1.443 122.644 121.223 -0.038 0.000 2.262 164 L HA 0.445 4.783 4.340 -0.004 0.000 0.288 164 L C -0.807 176.060 176.870 -0.005 0.000 1.035 164 L CA -0.929 53.901 54.840 -0.016 0.000 0.820 164 L CB 1.246 43.289 42.059 -0.027 0.000 1.204 164 L HN -0.074 nan 8.230 nan 0.000 0.424 165 D N 5.087 125.492 120.400 0.008 0.000 2.380 165 D HA 0.370 5.008 4.640 -0.004 0.000 0.230 165 D C 0.050 176.369 176.300 0.032 0.000 1.154 165 D CA -0.083 53.924 54.000 0.011 0.000 0.859 165 D CB 1.322 42.126 40.800 0.006 0.000 1.045 165 D HN 0.273 nan 8.370 nan 0.000 0.495 166 L N 3.142 124.390 121.223 0.042 0.000 2.436 166 L HA 0.321 4.658 4.340 -0.004 0.000 0.265 166 L C -1.616 175.276 176.870 0.036 0.000 1.168 166 L CA -1.641 53.240 54.840 0.068 0.000 0.815 166 L CB -0.030 42.080 42.059 0.084 0.000 1.109 166 L HN 0.096 nan 8.230 nan 0.000 0.462 167 P HA 0.160 nan 4.420 nan 0.000 0.270 167 P C -2.450 174.850 177.300 -0.001 0.000 1.223 167 P CA -0.758 62.352 63.100 0.018 0.000 0.785 167 P CB -0.266 31.448 31.700 0.023 0.000 0.923 168 P HA 0.372 nan 4.420 nan 0.000 0.272 168 P C 0.255 177.541 177.300 -0.023 0.000 1.223 168 P CA 0.524 63.614 63.100 -0.017 0.000 0.784 168 P CB 0.266 31.957 31.700 -0.014 0.000 0.923 169 G N 0.614 109.396 108.800 -0.032 0.000 2.685 169 G HA2 -0.147 3.811 3.960 -0.004 0.000 0.387 169 G HA3 -0.147 3.811 3.960 -0.004 0.000 0.387 169 G C -0.778 174.091 174.900 -0.051 0.000 1.324 169 G CA -0.981 44.097 45.100 -0.036 0.000 0.878 169 G HN 0.600 nan 8.290 nan 0.000 0.527 170 R N -0.275 120.194 120.500 -0.051 0.000 2.698 170 R HA 0.131 4.469 4.340 -0.004 0.000 0.266 170 R C 1.830 178.076 176.300 -0.090 0.000 1.026 170 R CA -0.215 55.845 56.100 -0.066 0.000 1.102 170 R CB 0.203 30.475 30.300 -0.046 0.000 0.978 170 R HN 0.437 nan 8.270 nan 0.000 0.436 171 I N 1.281 121.766 120.570 -0.142 0.000 2.194 171 I HA -0.284 3.883 4.170 -0.004 0.000 0.246 171 I C 0.841 176.843 176.117 -0.191 0.000 1.093 171 I CA 1.400 62.548 61.300 -0.255 0.000 1.355 171 I CB -1.007 36.768 38.000 -0.375 0.000 1.046 171 I HN 0.745 nan 8.210 nan 0.000 0.413 172 D N 1.088 121.446 120.400 -0.072 0.000 2.697 172 D HA -0.167 4.471 4.640 -0.004 0.000 0.235 172 D C 1.021 177.362 176.300 0.068 0.000 1.167 172 D CA 0.987 54.996 54.000 0.016 0.000 0.656 172 D CB -1.234 39.567 40.800 0.001 0.000 1.025 172 D HN 0.698 nan 8.370 nan 0.000 0.419 173 G N 0.642 109.504 108.800 0.104 0.000 2.258 173 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.274 173 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.274 173 G C 0.810 175.863 174.900 0.256 0.000 1.021 173 G CA 0.241 45.483 45.100 0.236 0.000 0.798 173 G HN 0.999 nan 8.290 nan 0.000 0.507 174 F N -2.030 118.000 119.950 0.133 0.000 3.093 174 F HA -0.194 4.331 4.527 -0.004 0.000 0.287 174 F C 1.994 177.829 175.800 0.058 0.000 0.882 174 F CA 1.880 59.932 58.000 0.085 0.000 1.063 174 F CB -1.598 37.447 39.000 0.076 0.000 1.097 174 F HN 1.706 nan 8.300 nan 0.000 0.604 175 G N -0.638 108.255 108.800 0.156 0.000 2.166 175 G HA2 -0.368 3.590 3.960 -0.004 0.000 0.260 175 G HA3 -0.368 3.590 3.960 -0.004 0.000 0.260 175 G C 0.328 175.286 174.900 0.097 0.000 0.986 175 G CA 0.404 45.566 45.100 0.103 0.000 0.683 175 G HN 0.533 nan 8.290 nan 0.000 0.527 176 N N 0.711 119.485 118.700 0.123 0.000 2.476 176 N HA 0.529 5.267 4.740 -0.004 0.000 0.275 176 N C -2.519 173.016 175.510 0.041 0.000 1.190 176 N CA -1.733 51.353 53.050 0.060 0.000 0.977 176 N CB 0.652 39.160 38.487 0.035 0.000 1.200 176 N HN -0.026 nan 8.380 nan 0.000 0.515 177 P HA 0.039 nan 4.420 nan 0.000 0.265 177 P C -0.859 176.420 177.300 -0.035 0.000 1.187 177 P CA 0.376 63.436 63.100 -0.066 0.000 0.766 177 P CB 0.218 31.684 31.700 -0.389 0.000 0.820 178 F N 3.756 123.678 119.950 -0.048 0.000 2.467 178 F HA 0.415 4.940 4.527 -0.004 0.000 0.336 178 F C -0.532 175.282 175.800 0.022 0.000 1.123 178 F CA -0.979 57.014 58.000 -0.012 0.000 0.964 178 F CB 0.895 39.914 39.000 0.032 0.000 1.136 178 F HN 0.074 nan 8.300 nan 0.000 0.447 179 I N 4.889 125.262 120.570 -0.329 0.000 2.297 179 I HA 0.172 4.340 4.170 -0.004 0.000 0.291 179 I C -0.448 175.622 176.117 -0.079 0.000 1.033 179 I CA -0.374 60.806 61.300 -0.200 0.000 1.253 179 I CB 0.560 38.260 38.000 -0.500 0.000 1.396 179 I HN 0.462 nan 8.210 nan 0.000 0.476 180 D N 6.830 127.405 120.400 0.291 0.000 2.329 180 D HA 0.315 4.953 4.640 -0.004 0.000 0.232 180 D C 0.953 177.412 176.300 0.266 0.000 1.088 180 D CA -0.428 53.843 54.000 0.451 0.000 0.835 180 D CB 1.176 42.305 40.800 0.548 0.000 1.078 180 D HN 0.548 nan 8.370 nan 0.000 0.495 181 I N 0.506 121.231 120.570 0.259 0.000 3.883 181 I HA 0.367 4.535 4.170 -0.004 0.000 0.326 181 I C 0.074 176.332 176.117 0.234 0.000 1.283 181 I CA -0.467 60.960 61.300 0.213 0.000 1.161 181 I CB -0.021 38.108 38.000 0.217 0.000 1.012 181 I HN 0.075 nan 8.210 nan 0.000 0.421 182 F N 4.244 124.274 119.950 0.132 0.000 2.412 182 F HA 0.486 5.011 4.527 -0.003 0.000 0.348 182 F C -2.098 173.757 175.800 0.091 0.000 1.102 182 F CA -2.579 55.480 58.000 0.098 0.000 1.196 182 F CB 0.519 39.567 39.000 0.080 0.000 1.144 182 F HN -0.153 nan 8.300 nan 0.000 0.541 183 P HA 0.006 nan 4.420 nan 0.000 0.257 183 P C -2.164 175.177 177.300 0.070 0.000 1.189 183 P CA -0.590 62.439 63.100 -0.118 0.000 0.780 183 P CB 0.302 31.843 31.700 -0.266 0.000 0.772 184 P HA -0.273 nan 4.420 nan 0.000 0.216 184 P C 1.613 178.986 177.300 0.121 0.000 1.154 184 P CA 1.964 65.145 63.100 0.135 0.000 0.865 184 P CB -0.254 31.500 31.700 0.089 0.000 0.789 185 S N -1.276 114.471 115.700 0.080 0.000 2.419 185 S HA -0.103 4.365 4.470 -0.004 0.000 0.233 185 S C 1.711 176.371 174.600 0.101 0.000 1.016 185 S CA 1.121 59.362 58.200 0.070 0.000 0.974 185 S CB -1.370 61.854 63.200 0.040 0.000 0.786 185 S HN 0.124 nan 8.310 nan 0.000 0.492 186 L N 0.042 121.352 121.223 0.145 0.000 2.554 186 L HA 0.322 4.660 4.340 -0.004 0.000 0.225 186 L C 1.083 178.174 176.870 0.368 0.000 1.104 186 L CA -0.226 54.757 54.840 0.238 0.000 0.866 186 L CB -0.241 41.950 42.059 0.220 0.000 1.047 186 L HN 0.286 nan 8.230 nan 0.000 0.468 187 Q N 1.477 121.487 119.800 0.349 0.000 2.373 187 Q HA 0.038 4.376 4.340 -0.004 0.000 0.255 187 Q C -0.035 176.039 176.000 0.123 0.000 0.980 187 Q CA 0.116 56.075 55.803 0.259 0.000 0.882 187 Q CB 0.582 29.495 28.738 0.291 0.000 1.249 187 Q HN -0.007 nan 8.270 nan 0.000 0.438 188 E N 4.899 125.121 120.200 0.036 0.000 2.558 188 E HA -0.053 4.295 4.350 -0.004 0.000 0.255 188 E C -1.793 174.857 176.600 0.083 0.000 0.968 188 E CA -1.053 55.367 56.400 0.033 0.000 0.939 188 E CB 0.383 30.070 29.700 -0.022 0.000 0.921 188 E HN 0.578 nan 8.360 nan 0.000 0.477 189 P HA -0.199 nan 4.420 nan 0.000 0.215 189 P C 1.073 178.396 177.300 0.037 0.000 1.163 189 P CA 1.340 64.468 63.100 0.045 0.000 0.894 189 P CB 0.287 32.004 31.700 0.029 0.000 0.791 190 E N -1.769 118.452 120.200 0.035 0.000 2.097 190 E HA -0.219 4.129 4.350 -0.004 0.000 0.196 190 E C 1.908 178.521 176.600 0.021 0.000 1.000 190 E CA 1.082 57.494 56.400 0.020 0.000 0.804 190 E CB -0.621 29.091 29.700 0.021 0.000 0.740 190 E HN 0.229 nan 8.360 nan 0.000 0.454 191 F N 1.393 121.288 119.950 -0.091 0.000 2.206 191 F HA -0.078 4.447 4.527 -0.004 0.000 0.298 191 F C 2.426 178.156 175.800 -0.118 0.000 1.090 191 F CA 1.140 59.058 58.000 -0.136 0.000 1.323 191 F CB 0.056 38.949 39.000 -0.179 0.000 1.028 191 F HN -0.218 nan 8.300 nan 0.000 0.492 192 R N 0.112 120.630 120.500 0.029 0.000 2.152 192 R HA -0.093 4.245 4.340 -0.004 0.000 0.232 192 R C 1.981 178.212 176.300 -0.115 0.000 1.117 192 R CA 1.062 57.150 56.100 -0.021 0.000 0.981 192 R CB -0.369 29.966 30.300 0.057 0.000 0.870 192 R HN 0.335 nan 8.270 nan 0.000 0.451 193 A N 0.759 123.507 122.820 -0.120 0.000 2.178 193 A HA 0.007 4.325 4.320 -0.004 0.000 0.211 193 A C 0.846 178.323 177.584 -0.178 0.000 1.157 193 A CA -0.260 51.706 52.037 -0.118 0.000 0.780 193 A CB -0.281 18.675 19.000 -0.074 0.000 0.828 193 A HN 0.247 nan 8.150 nan 0.000 0.476 194 R N 1.074 121.395 120.500 -0.298 0.000 2.537 194 R HA 0.075 4.413 4.340 -0.004 0.000 0.281 194 R C -2.586 173.556 176.300 -0.263 0.000 0.988 194 R CA -0.948 54.946 56.100 -0.343 0.000 1.077 194 R CB 0.069 29.980 30.300 -0.648 0.000 0.932 194 R HN 0.074 nan 8.270 nan 0.000 0.409 195 P HA 0.053 nan 4.420 nan 0.000 0.272 195 P C -0.724 176.502 177.300 -0.125 0.000 1.223 195 P CA 0.049 63.073 63.100 -0.127 0.000 0.784 195 P CB 0.523 32.176 31.700 -0.078 0.000 0.923 196 R N -1.534 118.900 120.500 -0.111 0.000 3.651 196 R HA -0.212 4.126 4.340 -0.004 0.000 0.292 196 R C 0.273 176.495 176.300 -0.130 0.000 1.161 196 R CA 0.558 56.620 56.100 -0.064 0.000 0.787 196 R CB -1.662 28.667 30.300 0.048 0.000 1.249 196 R HN 0.561 nan 8.270 nan 0.000 0.476 197 R N 1.317 121.651 120.500 -0.277 0.000 2.368 197 R HA 0.290 4.628 4.340 -0.004 0.000 0.302 197 R C -0.661 175.423 176.300 -0.360 0.000 1.002 197 R CA -0.440 55.542 56.100 -0.197 0.000 0.929 197 R CB 0.852 31.003 30.300 -0.248 0.000 1.073 197 R HN 0.163 nan 8.270 nan 0.000 0.464 198 H N 2.634 121.777 119.070 0.121 0.000 2.679 198 H HA 0.184 4.738 4.556 -0.004 0.000 0.360 198 H C -0.699 174.700 175.328 0.118 0.000 1.105 198 H CA -0.796 55.324 56.048 0.120 0.000 1.196 198 H CB 1.918 31.778 29.762 0.163 0.000 1.636 198 H HN 0.599 nan 8.280 nan 0.000 0.531 199 E N 1.899 122.220 120.200 0.201 0.000 2.354 199 E HA 0.261 4.609 4.350 -0.004 0.000 0.269 199 E C -0.637 176.047 176.600 0.140 0.000 1.036 199 E CA -0.533 55.962 56.400 0.157 0.000 0.876 199 E CB 1.407 31.178 29.700 0.118 0.000 1.009 199 E HN 0.128 nan 8.360 nan 0.000 0.416 200 L N 2.297 123.590 121.223 0.118 0.000 2.505 200 L HA 0.270 4.608 4.340 -0.004 0.000 0.266 200 L C -0.750 176.182 176.870 0.104 0.000 0.954 200 L CA -0.521 54.379 54.840 0.099 0.000 0.852 200 L CB 1.751 43.848 42.059 0.064 0.000 1.282 200 L HN 0.434 nan 8.230 nan 0.000 0.403 201 R N 6.428 126.983 120.500 0.092 0.000 2.504 201 R HA 0.187 4.525 4.340 -0.004 0.000 0.291 201 R C -1.924 174.436 176.300 0.099 0.000 0.974 201 R CA -0.642 55.506 56.100 0.079 0.000 1.077 201 R CB 0.556 30.895 30.300 0.064 0.000 0.926 201 R HN 0.491 nan 8.270 nan 0.000 0.407 202 P HA 0.001 nan 4.420 nan 0.000 0.244 202 P C -0.661 176.695 177.300 0.094 0.000 1.723 202 P CA 0.001 63.164 63.100 0.105 0.000 1.110 202 P CB 0.106 31.847 31.700 0.067 0.000 1.972 203 V N 5.412 125.392 119.914 0.111 0.000 2.521 203 V HA 0.092 4.210 4.120 -0.004 0.000 0.286 203 V C -1.321 174.843 176.094 0.116 0.000 1.034 203 V CA -1.102 61.255 62.300 0.096 0.000 1.045 203 V CB 0.113 31.996 31.823 0.101 0.000 0.974 203 V HN 0.384 nan 8.190 nan 0.000 0.480 204 P HA 0.135 nan 4.420 nan 0.000 0.275 204 P C -0.529 176.845 177.300 0.124 0.000 1.227 204 P CA -0.527 62.639 63.100 0.110 0.000 0.781 204 P CB 0.568 32.299 31.700 0.052 0.000 0.906 205 F N 3.051 122.984 119.950 -0.029 0.000 2.602 205 F HA 0.236 4.761 4.527 -0.002 0.000 0.385 205 F C 0.255 175.980 175.800 -0.125 0.000 1.063 205 F CA -1.045 56.862 58.000 -0.154 0.000 1.233 205 F CB -0.005 38.704 39.000 -0.485 0.000 1.067 205 F HN 0.425 nan 8.300 nan 0.000 0.564 206 A N 6.733 129.219 122.820 -0.556 0.000 2.807 206 A HA 0.203 4.520 4.320 -0.004 0.000 0.307 206 A C 0.242 177.242 177.584 -0.974 0.000 1.532 206 A CA -0.504 51.189 52.037 -0.573 0.000 1.215 206 A CB -0.726 18.114 19.000 -0.266 0.000 1.127 206 A HN 0.828 nan 8.150 nan 0.000 0.543 207 E N 1.706 121.356 120.200 -0.916 0.000 2.283 207 E HA 0.145 4.493 4.350 -0.004 0.000 0.278 207 E C 0.054 176.486 176.600 -0.281 0.000 1.027 207 E CA -0.547 55.477 56.400 -0.627 0.000 0.843 207 E CB 0.555 30.076 29.700 -0.298 0.000 1.062 207 E HN 0.598 nan 8.360 nan 0.000 0.401 208 Q N 2.718 122.409 119.800 -0.181 0.000 2.322 208 Q HA 0.124 4.462 4.340 -0.004 0.000 0.203 208 Q C 0.406 176.372 176.000 -0.057 0.000 0.923 208 Q CA 0.054 55.792 55.803 -0.109 0.000 0.949 208 Q CB 0.730 29.417 28.738 -0.085 0.000 1.039 208 Q HN 0.610 nan 8.270 nan 0.000 0.496 209 G N 0.566 109.348 108.800 -0.029 0.000 2.636 209 G HA2 0.062 4.020 3.960 -0.004 0.000 0.246 209 G HA3 0.062 4.020 3.960 -0.004 0.000 0.246 209 G C -0.223 174.665 174.900 -0.020 0.000 1.216 209 G CA -0.417 44.691 45.100 0.013 0.000 0.854 209 G HN 0.081 nan 8.290 nan 0.000 0.572 210 D N -0.024 120.369 120.400 -0.011 0.000 2.255 210 D HA 0.195 4.833 4.640 -0.004 0.000 0.249 210 D C 0.508 176.770 176.300 -0.065 0.000 1.078 210 D CA -0.012 53.963 54.000 -0.042 0.000 0.896 210 D CB 1.951 42.733 40.800 -0.030 0.000 1.194 210 D HN 0.069 nan 8.370 nan 0.000 0.429 211 L N 2.568 123.720 121.223 -0.119 0.000 2.452 211 L HA 0.175 4.513 4.340 -0.004 0.000 0.267 211 L C -1.895 174.864 176.870 -0.184 0.000 1.188 211 L CA -1.580 53.150 54.840 -0.184 0.000 0.821 211 L CB -0.169 41.725 42.059 -0.275 0.000 1.102 211 L HN 0.099 nan 8.230 nan 0.000 0.470 212 P HA -0.063 nan 4.420 nan 0.000 0.261 212 P C 0.058 177.179 177.300 -0.299 0.000 1.173 212 P CA 0.161 63.153 63.100 -0.181 0.000 0.760 212 P CB 0.758 32.337 31.700 -0.202 0.000 0.783 213 A N 5.009 127.770 122.820 -0.100 0.000 2.019 213 A HA -0.141 4.176 4.320 -0.004 0.000 0.219 213 A C 1.778 179.318 177.584 -0.074 0.000 1.164 213 A CA 1.035 53.024 52.037 -0.079 0.000 0.644 213 A CB -1.258 17.748 19.000 0.009 0.000 0.805 213 A HN 0.846 nan 8.150 nan 0.000 0.449 214 W N 0.063 121.340 121.300 -0.038 0.000 2.465 214 W HA -0.052 4.605 4.660 -0.004 0.000 0.268 214 W C 1.060 177.552 176.519 -0.045 0.000 1.242 214 W CA 0.672 57.997 57.345 -0.033 0.000 1.248 214 W CB -1.039 28.407 29.460 -0.022 0.000 1.118 214 W HN 0.246 nan 8.180 nan 0.000 0.587 215 L N 1.820 122.580 121.223 -0.771 0.000 2.127 215 L HA -0.205 4.133 4.340 -0.004 0.000 0.211 215 L C 2.530 179.223 176.870 -0.294 0.000 1.089 215 L CA 1.695 56.107 54.840 -0.714 0.000 0.757 215 L CB -0.927 40.627 42.059 -0.842 0.000 0.899 215 L HN -0.107 nan 8.230 nan 0.000 0.434 216 S N -0.837 114.738 115.700 -0.208 0.000 2.555 216 S HA -0.051 4.417 4.470 -0.004 0.000 0.230 216 S C 1.495 176.071 174.600 -0.039 0.000 0.978 216 S CA 1.038 59.168 58.200 -0.117 0.000 0.934 216 S CB -0.035 63.106 63.200 -0.098 0.000 0.766 216 S HN 0.614 nan 8.310 nan 0.000 0.533 217 S N 0.666 116.372 115.700 0.010 0.000 3.009 217 S HA 0.234 4.702 4.470 -0.004 0.000 0.254 217 S C 0.176 174.831 174.600 0.092 0.000 1.004 217 S CA -0.918 57.312 58.200 0.049 0.000 1.119 217 S CB 0.157 63.393 63.200 0.059 0.000 1.075 217 S HN 0.522 nan 8.310 nan 0.000 0.618 218 R N 0.769 121.339 120.500 0.116 0.000 2.583 218 R HA 0.459 4.796 4.340 -0.004 0.000 0.268 218 R C -0.763 175.593 176.300 0.094 0.000 1.101 218 R CA -0.421 55.778 56.100 0.165 0.000 1.180 218 R CB 0.027 30.495 30.300 0.279 0.000 1.128 218 R HN 0.026 nan 8.270 nan 0.000 0.568 219 D N 1.114 121.569 120.400 0.091 0.000 2.416 219 D HA -0.014 4.624 4.640 -0.004 0.000 0.240 219 D C 0.607 176.942 176.300 0.059 0.000 1.250 219 D CA -0.084 53.952 54.000 0.061 0.000 0.967 219 D CB 0.746 41.576 40.800 0.051 0.000 1.059 219 D HN 0.641 nan 8.370 nan 0.000 0.512 220 T N 0.444 115.025 114.554 0.044 0.000 3.163 220 T HA 0.045 4.393 4.350 -0.004 0.000 0.260 220 T C 1.518 176.239 174.700 0.035 0.000 1.156 220 T CA 0.428 62.551 62.100 0.038 0.000 1.072 220 T CB 0.065 68.948 68.868 0.025 0.000 0.937 220 T HN 0.266 nan 8.240 nan 0.000 0.528 221 A N 1.725 124.566 122.820 0.034 0.000 2.132 221 A HA 0.281 4.599 4.320 -0.004 0.000 0.213 221 A C 1.324 178.927 177.584 0.032 0.000 1.154 221 A CA -0.278 51.776 52.037 0.029 0.000 0.753 221 A CB -0.174 18.841 19.000 0.024 0.000 0.826 221 A HN 0.767 nan 8.150 nan 0.000 0.469 222 R N -0.476 120.048 120.500 0.040 0.000 2.787 222 R HA 0.607 4.945 4.340 -0.004 0.000 0.271 222 R C -3.216 173.115 176.300 0.052 0.000 0.993 222 R CA -2.063 54.063 56.100 0.043 0.000 0.993 222 R CB 0.099 30.425 30.300 0.043 0.000 1.155 222 R HN -0.157 nan 8.270 nan 0.000 0.486 223 P HA -0.065 nan 4.420 nan 0.000 0.266 223 P C -1.099 176.248 177.300 0.078 0.000 1.195 223 P CA -0.254 62.880 63.100 0.056 0.000 0.768 223 P CB 0.399 32.128 31.700 0.049 0.000 0.838 224 L N 4.971 126.245 121.223 0.084 0.000 2.272 224 L HA 0.390 4.728 4.340 -0.004 0.000 0.289 224 L C -1.010 175.931 176.870 0.118 0.000 1.032 224 L CA -0.327 54.583 54.840 0.116 0.000 0.810 224 L CB 1.086 43.203 42.059 0.096 0.000 1.205 224 L HN 0.040 nan 8.230 nan 0.000 0.422 225 V N 5.750 125.749 119.914 0.143 0.000 2.459 225 V HA 0.331 4.449 4.120 -0.004 0.000 0.295 225 V C -1.032 175.188 176.094 0.210 0.000 1.029 225 V CA -0.656 61.727 62.300 0.138 0.000 0.874 225 V CB 1.359 33.239 31.823 0.094 0.000 0.985 225 V HN 0.645 nan 8.190 nan 0.000 0.438 226 Y N 5.955 126.279 120.300 0.039 0.000 2.328 226 Y HA 0.723 5.271 4.550 -0.003 0.000 0.337 226 Y C -0.914 175.002 175.900 0.027 0.000 0.966 226 Y CA -1.512 56.607 58.100 0.032 0.000 1.136 226 Y CB 1.578 40.036 38.460 -0.002 0.000 1.170 226 Y HN 0.574 nan 8.280 nan 0.000 0.470 227 L N 6.380 127.413 121.223 -0.317 0.000 2.333 227 L HA 0.778 5.115 4.340 -0.004 0.000 0.280 227 L C -0.863 175.706 176.870 -0.502 0.000 1.004 227 L CA 0.039 54.681 54.840 -0.329 0.000 0.820 227 L CB 1.860 43.872 42.059 -0.079 0.000 1.247 227 L HN 0.752 nan 8.230 nan 0.000 0.416 228 T N 4.714 119.018 114.554 -0.417 0.000 2.942 228 T HA 0.456 4.804 4.350 -0.004 0.000 0.327 228 T C -0.203 174.477 174.700 -0.035 0.000 1.360 228 T CA -0.489 61.452 62.100 -0.264 0.000 1.055 228 T CB 0.820 69.460 68.868 -0.381 0.000 1.261 228 T HN 0.586 nan 8.240 nan 0.000 0.485 229 L N 3.274 124.459 121.223 -0.063 0.000 3.014 229 L HA 0.512 4.850 4.340 -0.004 0.000 0.263 229 L C 1.362 177.806 176.870 -0.710 0.000 1.207 229 L CA 0.073 54.828 54.840 -0.142 0.000 1.017 229 L CB -0.307 41.719 42.059 -0.055 0.000 1.360 229 L HN 1.108 nan 8.230 nan 0.000 0.560 230 G N 1.227 109.740 108.800 -0.478 0.000 2.545 230 G HA2 -0.289 3.668 3.960 -0.004 0.000 0.216 230 G HA3 -0.289 3.668 3.960 -0.004 0.000 0.216 230 G C 0.386 175.221 174.900 -0.109 0.000 1.314 230 G CA 0.091 44.950 45.100 -0.401 0.000 0.906 230 G HN 0.204 nan 8.290 nan 0.000 0.563 231 T N -3.769 110.792 114.554 0.012 0.000 3.058 231 T HA 0.618 4.966 4.350 -0.004 0.000 0.278 231 T C 0.404 175.195 174.700 0.152 0.000 0.974 231 T CA 1.178 63.346 62.100 0.114 0.000 0.893 231 T CB 0.453 69.429 68.868 0.181 0.000 1.138 231 T HN 1.560 nan 8.240 nan 0.000 0.529 232 S N 1.004 116.786 115.700 0.136 0.000 2.385 232 S HA 0.501 4.969 4.470 -0.004 0.000 0.191 232 S C 0.278 175.000 174.600 0.204 0.000 1.196 232 S CA -0.454 57.867 58.200 0.202 0.000 1.178 232 S CB 0.867 64.237 63.200 0.284 0.000 1.258 232 S HN 0.360 nan 8.310 nan 0.000 0.430 233 S N 0.511 116.311 115.700 0.166 0.000 3.270 233 S HA -0.236 4.232 4.470 -0.004 0.000 0.293 233 S C 1.671 176.436 174.600 0.275 0.000 1.278 233 S CA 1.187 59.513 58.200 0.211 0.000 1.038 233 S CB -1.459 61.909 63.200 0.281 0.000 1.218 233 S HN 1.009 nan 8.310 nan 0.000 0.659 234 G N 0.661 109.564 108.800 0.173 0.000 2.440 234 G HA2 0.318 4.276 3.960 -0.004 0.000 0.218 234 G HA3 0.318 4.276 3.960 -0.004 0.000 0.218 234 G C 0.566 175.603 174.900 0.229 0.000 1.154 234 G CA 1.071 46.321 45.100 0.250 0.000 0.767 234 G HN 1.112 nan 8.290 nan 0.000 0.552 235 G N -2.011 106.811 108.800 0.037 0.000 2.721 235 G HA2 0.556 4.513 3.960 -0.004 0.000 0.296 235 G HA3 0.556 4.513 3.960 -0.004 0.000 0.296 235 G C -0.762 174.047 174.900 -0.151 0.000 1.383 235 G CA 0.291 45.344 45.100 -0.079 0.000 0.788 235 G HN 0.599 nan 8.290 nan 0.000 0.500 236 T N -2.872 111.564 114.554 -0.197 0.000 2.949 236 T HA 0.497 4.845 4.350 -0.004 0.000 0.287 236 T C 1.032 175.665 174.700 -0.111 0.000 1.034 236 T CA -0.018 61.980 62.100 -0.169 0.000 1.018 236 T CB 1.627 70.360 68.868 -0.224 0.000 1.135 236 T HN 0.978 nan 8.240 nan 0.000 0.532 237 V N 0.591 120.452 119.914 -0.088 0.000 2.759 237 V HA -0.038 4.080 4.120 -0.004 0.000 0.256 237 V C 2.192 178.241 176.094 -0.075 0.000 1.080 237 V CA 1.891 64.151 62.300 -0.065 0.000 1.101 237 V CB -0.979 30.814 31.823 -0.050 0.000 0.698 237 V HN 0.929 nan 8.190 nan 0.000 0.477 238 E N -0.202 119.940 120.200 -0.097 0.000 2.072 238 E HA -0.131 4.217 4.350 -0.004 0.000 0.191 238 E C 2.118 178.643 176.600 -0.125 0.000 0.985 238 E CA 1.518 57.856 56.400 -0.103 0.000 0.801 238 E CB -0.322 29.310 29.700 -0.112 0.000 0.750 238 E HN 0.503 nan 8.360 nan 0.000 0.452 239 V N 0.621 120.443 119.914 -0.154 0.000 2.427 239 V HA -0.185 3.933 4.120 -0.004 0.000 0.248 239 V C 2.149 178.166 176.094 -0.129 0.000 1.051 239 V CA 1.198 63.378 62.300 -0.199 0.000 1.048 239 V CB -0.319 31.370 31.823 -0.224 0.000 0.666 239 V HN 0.219 nan 8.190 nan 0.000 0.456 240 L N 0.221 121.407 121.223 -0.062 0.000 2.083 240 L HA -0.133 4.204 4.340 -0.004 0.000 0.209 240 L C 2.546 179.401 176.870 -0.024 0.000 1.083 240 L CA 1.944 56.777 54.840 -0.012 0.000 0.752 240 L CB -0.516 41.536 42.059 -0.012 0.000 0.899 240 L HN 0.203 nan 8.230 nan 0.000 0.433 241 R N -0.125 120.346 120.500 -0.048 0.000 2.075 241 R HA -0.039 4.299 4.340 -0.004 0.000 0.232 241 R C 2.138 178.407 176.300 -0.052 0.000 1.126 241 R CA 1.591 57.664 56.100 -0.045 0.000 0.963 241 R CB -0.787 29.483 30.300 -0.051 0.000 0.858 241 R HN 0.441 nan 8.270 nan 0.000 0.435 242 A N 0.026 122.797 122.820 -0.083 0.000 1.930 242 A HA 0.011 4.328 4.320 -0.004 0.000 0.217 242 A C 2.311 179.850 177.584 -0.075 0.000 1.175 242 A CA 1.615 53.593 52.037 -0.098 0.000 0.627 242 A CB -0.878 18.027 19.000 -0.158 0.000 0.815 242 A HN 0.466 nan 8.150 nan 0.000 0.443 243 A N -0.036 122.752 122.820 -0.053 0.000 1.897 243 A HA -0.003 4.314 4.320 -0.004 0.000 0.215 243 A C 2.097 179.707 177.584 0.044 0.000 1.181 243 A CA 1.342 53.408 52.037 0.048 0.000 0.620 243 A CB -0.540 18.578 19.000 0.196 0.000 0.821 243 A HN 0.474 nan 8.150 nan 0.000 0.443 244 I N 0.015 120.596 120.570 0.018 0.000 2.179 244 I HA -0.243 3.925 4.170 -0.004 0.000 0.242 244 I C 1.776 177.892 176.117 -0.002 0.000 1.088 244 I CA 1.510 62.815 61.300 0.008 0.000 1.357 244 I CB -0.482 37.516 38.000 -0.005 0.000 1.051 244 I HN 0.246 nan 8.210 nan 0.000 0.409 245 D N 0.906 121.298 120.400 -0.012 0.000 2.144 245 D HA -0.126 4.512 4.640 -0.004 0.000 0.199 245 D C 2.164 178.458 176.300 -0.009 0.000 0.984 245 D CA 1.542 55.532 54.000 -0.016 0.000 0.834 245 D CB -0.437 40.348 40.800 -0.026 0.000 0.955 245 D HN 0.413 nan 8.370 nan 0.000 0.465 246 G N 0.389 109.187 108.800 -0.003 0.000 2.394 246 G HA2 -0.125 3.833 3.960 -0.004 0.000 0.215 246 G HA3 -0.125 3.833 3.960 -0.004 0.000 0.215 246 G C 1.741 176.652 174.900 0.017 0.000 1.165 246 G CA 0.130 45.234 45.100 0.007 0.000 0.784 246 G HN 0.245 nan 8.290 nan 0.000 0.535 247 L N 0.503 121.741 121.223 0.026 0.000 2.209 247 L HA 0.151 4.489 4.340 -0.004 0.000 0.207 247 L C 3.301 180.181 176.870 0.016 0.000 1.094 247 L CA 0.639 55.496 54.840 0.029 0.000 0.790 247 L CB -0.300 41.784 42.059 0.042 0.000 0.932 247 L HN 0.266 nan 8.230 nan 0.000 0.447 248 A N 0.740 123.564 122.820 0.006 0.000 1.978 248 A HA -0.146 4.171 4.320 -0.004 0.000 0.220 248 A C 2.368 179.950 177.584 -0.005 0.000 1.170 248 A CA 1.753 53.787 52.037 -0.006 0.000 0.636 248 A CB -1.134 17.856 19.000 -0.015 0.000 0.810 248 A HN 0.437 nan 8.150 nan 0.000 0.448 249 G N -0.405 108.394 108.800 -0.002 0.000 2.443 249 G HA2 0.081 4.039 3.960 -0.004 0.000 0.219 249 G HA3 0.081 4.039 3.960 -0.004 0.000 0.219 249 G C 0.767 175.669 174.900 0.003 0.000 1.131 249 G CA 0.281 45.380 45.100 -0.001 0.000 0.775 249 G HN 0.458 nan 8.290 nan 0.000 0.547 250 L N 0.585 121.813 121.223 0.009 0.000 2.483 250 L HA 0.108 4.446 4.340 -0.004 0.000 0.275 250 L C 0.377 177.255 176.870 0.013 0.000 1.220 250 L CA -0.485 54.363 54.840 0.013 0.000 0.833 250 L CB 0.461 42.532 42.059 0.019 0.000 1.102 250 L HN -0.017 nan 8.230 nan 0.000 0.490 251 D N 1.829 122.239 120.400 0.016 0.000 2.600 251 D HA 0.446 5.084 4.640 -0.004 0.000 0.226 251 D C -0.433 175.883 176.300 0.027 0.000 1.119 251 D CA 0.204 54.214 54.000 0.018 0.000 1.051 251 D CB 0.001 40.811 40.800 0.017 0.000 1.106 251 D HN 0.593 nan 8.370 nan 0.000 0.491 252 A N 2.131 124.969 122.820 0.030 0.000 2.610 252 A HA 0.477 4.795 4.320 -0.004 0.000 0.291 252 A C -1.166 176.450 177.584 0.054 0.000 1.086 252 A CA -0.946 51.120 52.037 0.047 0.000 0.677 252 A CB 1.259 20.289 19.000 0.051 0.000 1.278 252 A HN 0.210 nan 8.150 nan 0.000 0.414 253 D N 0.816 121.273 120.400 0.094 0.000 2.225 253 D HA 0.484 5.122 4.640 -0.004 0.000 0.248 253 D C -0.759 175.634 176.300 0.155 0.000 1.096 253 D CA 0.192 54.268 54.000 0.127 0.000 0.863 253 D CB 1.846 42.811 40.800 0.275 0.000 1.156 253 D HN 0.202 nan 8.370 nan 0.000 0.450 254 V N 3.424 123.397 119.914 0.097 0.000 2.409 254 V HA 0.313 4.431 4.120 -0.004 0.000 0.291 254 V C 0.003 176.204 176.094 0.178 0.000 1.020 254 V CA -0.840 61.535 62.300 0.124 0.000 0.848 254 V CB 1.934 33.789 31.823 0.052 0.000 0.990 254 V HN 0.359 nan 8.190 nan 0.000 0.430 255 L N 6.235 127.649 121.223 0.318 0.000 2.287 255 L HA 0.716 5.053 4.340 -0.004 0.000 0.287 255 L C -0.905 176.154 176.870 0.316 0.000 1.022 255 L CA -0.346 54.739 54.840 0.409 0.000 0.814 255 L CB 1.495 43.856 42.059 0.503 0.000 1.217 255 L HN 0.470 nan 8.230 nan 0.000 0.420 256 V N 4.563 124.602 119.914 0.209 0.000 2.417 256 V HA 0.679 4.797 4.120 -0.004 0.000 0.291 256 V C 0.143 176.318 176.094 0.135 0.000 1.024 256 V CA -0.497 61.869 62.300 0.111 0.000 0.861 256 V CB 1.472 33.325 31.823 0.050 0.000 0.985 256 V HN 0.847 nan 8.190 nan 0.000 0.436 257 A N 2.991 125.868 122.820 0.094 0.000 2.293 257 A HA 0.593 4.911 4.320 -0.004 0.000 0.312 257 A C 0.826 178.430 177.584 0.034 0.000 1.309 257 A CA 0.063 52.159 52.037 0.098 0.000 0.839 257 A CB 1.136 20.227 19.000 0.152 0.000 1.155 257 A HN 1.003 nan 8.150 nan 0.000 0.501 258 S N 2.060 117.795 115.700 0.058 0.000 2.501 258 S HA 0.448 4.915 4.470 -0.004 0.000 0.220 258 S C 1.155 175.792 174.600 0.062 0.000 0.997 258 S CA 0.652 58.876 58.200 0.039 0.000 0.919 258 S CB -0.561 62.661 63.200 0.037 0.000 0.778 258 S HN 2.553 nan 8.310 nan 0.000 0.523 259 G N 2.353 111.232 108.800 0.132 0.000 2.828 259 G HA2 -0.146 3.811 3.960 -0.004 0.000 0.463 259 G HA3 -0.146 3.811 3.960 -0.004 0.000 0.463 259 G C -1.880 173.112 174.900 0.153 0.000 1.394 259 G CA -0.269 44.956 45.100 0.207 0.000 0.862 259 G HN 0.271 nan 8.290 nan 0.000 0.540 260 P HA 0.118 nan 4.420 nan 0.000 0.230 260 P C 1.489 178.811 177.300 0.036 0.000 1.168 260 P CA 1.606 64.734 63.100 0.047 0.000 0.793 260 P CB 0.265 31.965 31.700 -0.000 0.000 0.851 261 S N -0.348 115.384 115.700 0.054 0.000 2.441 261 S HA 0.072 4.540 4.470 -0.004 0.000 0.224 261 S C 0.819 175.430 174.600 0.018 0.000 1.043 261 S CA -0.213 58.011 58.200 0.041 0.000 0.948 261 S CB -0.526 62.719 63.200 0.076 0.000 0.810 261 S HN 0.053 nan 8.310 nan 0.000 0.504 262 L N 3.677 124.912 121.223 0.019 0.000 2.369 262 L HA 0.297 4.634 4.340 -0.004 0.000 0.279 262 L C -0.529 176.339 176.870 -0.003 0.000 1.108 262 L CA -0.223 54.618 54.840 0.002 0.000 0.852 262 L CB 0.222 42.279 42.059 -0.004 0.000 1.169 262 L HN -0.062 nan 8.230 nan 0.000 0.452 263 D N 3.603 123.994 120.400 -0.015 0.000 2.336 263 D HA 0.162 4.799 4.640 -0.004 0.000 0.249 263 D C 0.558 176.848 176.300 -0.017 0.000 1.213 263 D CA -0.091 53.898 54.000 -0.018 0.000 0.870 263 D CB 0.951 41.734 40.800 -0.028 0.000 1.076 263 D HN 0.350 nan 8.370 nan 0.000 0.483 264 V N 1.553 121.461 119.914 -0.010 0.000 3.176 264 V HA 0.134 4.251 4.120 -0.004 0.000 0.332 264 V C 1.537 177.625 176.094 -0.011 0.000 1.414 264 V CA 0.357 62.651 62.300 -0.010 0.000 1.133 264 V CB -0.461 31.361 31.823 -0.002 0.000 1.088 264 V HN 0.468 nan 8.190 nan 0.000 0.473 265 S N 0.810 116.503 115.700 -0.012 0.000 2.469 265 S HA -0.003 4.465 4.470 -0.004 0.000 0.238 265 S C 1.665 176.256 174.600 -0.015 0.000 0.998 265 S CA 1.502 59.695 58.200 -0.012 0.000 0.957 265 S CB -0.406 62.786 63.200 -0.014 0.000 0.764 265 S HN 0.869 nan 8.310 nan 0.000 0.514 266 G N 0.249 109.038 108.800 -0.018 0.000 3.159 266 G HA2 0.317 4.275 3.960 -0.004 0.000 0.232 266 G HA3 0.317 4.275 3.960 -0.004 0.000 0.232 266 G C 0.927 175.814 174.900 -0.022 0.000 1.116 266 G CA 0.076 45.163 45.100 -0.020 0.000 0.767 266 G HN 0.372 nan 8.290 nan 0.000 0.547 267 L N 1.130 122.341 121.223 -0.021 0.000 1.971 267 L HA 0.235 4.572 4.340 -0.004 0.000 0.215 267 L C 1.653 178.509 176.870 -0.023 0.000 1.072 267 L CA 2.653 57.480 54.840 -0.022 0.000 0.758 267 L CB -0.515 41.534 42.059 -0.018 0.000 0.889 267 L HN 0.541 nan 8.230 nan 0.000 0.433 268 G N -1.600 107.188 108.800 -0.020 0.000 2.418 268 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.206 268 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.206 268 G C -0.593 174.294 174.900 -0.022 0.000 1.202 268 G CA -0.006 45.082 45.100 -0.021 0.000 1.061 268 G HN 0.547 nan 8.290 nan 0.000 0.563 269 E N -0.464 119.722 120.200 -0.024 0.000 2.313 269 E HA 0.562 4.909 4.350 -0.004 0.000 0.272 269 E C 0.137 176.719 176.600 -0.030 0.000 1.038 269 E CA -0.280 56.104 56.400 -0.027 0.000 0.863 269 E CB 1.408 31.093 29.700 -0.025 0.000 1.060 269 E HN 1.475 nan 8.360 nan 0.000 0.402 270 V N 0.902 120.794 119.914 -0.036 0.000 2.971 270 V HA 0.569 4.686 4.120 -0.004 0.000 0.309 270 V C -2.590 173.474 176.094 -0.050 0.000 1.130 270 V CA -2.029 60.246 62.300 -0.041 0.000 0.964 270 V CB 0.848 32.644 31.823 -0.045 0.000 1.029 270 V HN 0.670 nan 8.190 nan 0.000 0.427 271 P HA 0.365 nan 4.420 nan 0.000 0.270 271 P C 0.893 178.144 177.300 -0.080 0.000 1.227 271 P CA 0.337 63.404 63.100 -0.055 0.000 0.788 271 P CB 0.709 32.382 31.700 -0.046 0.000 0.926 272 A N 1.980 124.750 122.820 -0.084 0.000 2.067 272 A HA -0.151 4.167 4.320 -0.004 0.000 0.219 272 A C 1.558 179.042 177.584 -0.166 0.000 1.158 272 A CA 1.329 53.296 52.037 -0.117 0.000 0.661 272 A CB -1.013 17.932 19.000 -0.091 0.000 0.801 272 A HN 0.726 nan 8.150 nan 0.000 0.452 273 N N -0.092 118.529 118.700 -0.132 0.000 2.461 273 N HA 0.009 4.747 4.740 -0.004 0.000 0.188 273 N C -0.189 175.211 175.510 -0.183 0.000 1.134 273 N CA 0.495 53.456 53.050 -0.149 0.000 0.878 273 N CB -0.162 38.282 38.487 -0.072 0.000 0.972 273 N HN 0.175 nan 8.380 nan 0.000 0.456 274 V N 1.627 121.438 119.914 -0.172 0.000 2.347 274 V HA 0.366 4.484 4.120 -0.004 0.000 0.280 274 V C -0.143 175.824 176.094 -0.212 0.000 1.021 274 V CA -0.775 61.437 62.300 -0.147 0.000 0.847 274 V CB 0.964 32.741 31.823 -0.076 0.000 0.990 274 V HN 0.044 nan 8.190 nan 0.000 0.444 275 R N 4.632 124.982 120.500 -0.251 0.000 2.393 275 R HA 0.688 5.026 4.340 -0.004 0.000 0.310 275 R C -0.967 175.316 176.300 -0.029 0.000 0.968 275 R CA -0.394 55.559 56.100 -0.246 0.000 0.867 275 R CB 1.327 31.299 30.300 -0.547 0.000 1.124 275 R HN 0.639 nan 8.270 nan 0.000 0.450 276 L N 3.206 124.422 121.223 -0.011 0.000 2.272 276 L HA 0.456 4.793 4.340 -0.004 0.000 0.289 276 L C 0.073 176.992 176.870 0.081 0.000 1.032 276 L CA -0.572 54.291 54.840 0.039 0.000 0.810 276 L CB 1.059 43.127 42.059 0.014 0.000 1.205 276 L HN 0.388 nan 8.230 nan 0.000 0.422 277 E N 1.199 121.469 120.200 0.117 0.000 2.244 277 E HA 0.228 4.576 4.350 -0.004 0.000 0.266 277 E C 0.248 176.926 176.600 0.129 0.000 0.914 277 E CA -0.364 56.117 56.400 0.135 0.000 0.794 277 E CB 2.299 32.096 29.700 0.162 0.000 1.210 277 E HN 0.454 nan 8.360 nan 0.000 0.414 278 S N 1.992 117.783 115.700 0.151 0.000 2.439 278 S HA 0.029 4.497 4.470 -0.004 0.000 0.224 278 S C -0.047 174.737 174.600 0.306 0.000 1.029 278 S CA 0.200 58.507 58.200 0.179 0.000 0.946 278 S CB 0.419 63.710 63.200 0.151 0.000 0.797 278 S HN 0.571 nan 8.310 nan 0.000 0.504 279 W N 1.357 122.689 121.300 0.054 0.000 3.479 279 W HA 0.448 5.105 4.660 -0.005 0.000 0.304 279 W C -2.249 174.308 176.519 0.064 0.000 1.243 279 W CA -0.748 56.630 57.345 0.055 0.000 1.202 279 W CB 1.533 31.016 29.460 0.039 0.000 1.346 279 W HN 0.014 nan 8.180 nan 0.000 0.539 280 V N 2.147 121.747 119.914 -0.523 0.000 3.007 280 V HA 0.642 4.760 4.120 -0.004 0.000 0.311 280 V C -2.518 173.303 176.094 -0.455 0.000 1.120 280 V CA -2.354 59.750 62.300 -0.326 0.000 0.980 280 V CB 1.990 33.675 31.823 -0.230 0.000 1.033 280 V HN 0.374 nan 8.190 nan 0.000 0.429 281 P HA 0.120 nan 4.420 nan 0.000 0.259 281 P C 0.438 177.606 177.300 -0.220 0.000 1.635 281 P CA 0.337 63.344 63.100 -0.156 0.000 1.199 281 P CB 0.837 32.476 31.700 -0.102 0.000 1.850 282 Q N 3.177 122.820 119.800 -0.261 0.000 2.096 282 Q HA -0.222 4.116 4.340 -0.004 0.000 0.204 282 Q C 1.965 177.852 176.000 -0.188 0.000 0.982 282 Q CA 2.068 57.709 55.803 -0.270 0.000 0.850 282 Q CB -0.346 28.285 28.738 -0.178 0.000 0.901 282 Q HN 0.413 nan 8.270 nan 0.000 0.422 283 A N 0.529 123.276 122.820 -0.121 0.000 1.908 283 A HA -0.154 4.164 4.320 -0.004 0.000 0.218 283 A C 2.205 179.721 177.584 -0.113 0.000 1.181 283 A CA 1.812 53.789 52.037 -0.100 0.000 0.627 283 A CB -0.906 18.034 19.000 -0.101 0.000 0.818 283 A HN 0.559 nan 8.150 nan 0.000 0.445 284 A N -1.189 121.558 122.820 -0.122 0.000 2.067 284 A HA 0.220 4.537 4.320 -0.004 0.000 0.217 284 A C 2.029 179.596 177.584 -0.029 0.000 1.156 284 A CA 1.319 53.307 52.037 -0.082 0.000 0.683 284 A CB -0.381 18.567 19.000 -0.086 0.000 0.808 284 A HN 0.655 nan 8.150 nan 0.000 0.455 285 L N -0.357 120.798 121.223 -0.112 0.000 2.068 285 L HA 0.059 4.396 4.340 -0.004 0.000 0.204 285 L C 2.115 178.945 176.870 -0.067 0.000 1.076 285 L CA 1.404 56.173 54.840 -0.118 0.000 0.753 285 L CB -0.462 41.379 42.059 -0.363 0.000 0.910 285 L HN 0.340 nan 8.230 nan 0.000 0.439 286 L N 0.128 121.258 121.223 -0.156 0.000 2.089 286 L HA -0.184 4.154 4.340 -0.004 0.000 0.213 286 L C -0.212 176.591 176.870 -0.112 0.000 1.079 286 L CA 1.340 56.103 54.840 -0.129 0.000 0.758 286 L CB -2.253 39.741 42.059 -0.108 0.000 0.891 286 L HN 0.296 nan 8.230 nan 0.000 0.433 287 P HA -0.148 nan 4.420 nan 0.000 0.223 287 P C 1.123 178.216 177.300 -0.346 0.000 1.144 287 P CA 1.347 64.280 63.100 -0.278 0.000 0.783 287 P CB -0.105 31.361 31.700 -0.391 0.000 0.771 288 H N -2.415 116.594 119.070 -0.102 0.000 2.575 288 H HA 0.189 4.743 4.556 -0.004 0.000 0.267 288 H C 0.511 175.797 175.328 -0.070 0.000 0.966 288 H CA 0.078 56.069 56.048 -0.094 0.000 1.165 288 H CB 0.390 30.072 29.762 -0.134 0.000 1.433 288 H HN 0.004 nan 8.280 nan 0.000 0.544 289 V N 2.024 121.953 119.914 0.025 0.000 2.644 289 V HA 0.025 4.142 4.120 -0.004 0.000 0.295 289 V C 0.904 177.016 176.094 0.030 0.000 1.053 289 V CA -0.299 62.022 62.300 0.034 0.000 0.987 289 V CB 2.254 34.096 31.823 0.032 0.000 1.006 289 V HN 0.248 nan 8.190 nan 0.000 0.472 290 D N 1.690 122.118 120.400 0.047 0.000 2.392 290 D HA 0.231 4.869 4.640 -0.004 0.000 0.206 290 D C -0.197 176.127 176.300 0.040 0.000 1.046 290 D CA 0.536 54.559 54.000 0.039 0.000 0.865 290 D CB 1.488 42.312 40.800 0.042 0.000 0.969 290 D HN 0.266 nan 8.370 nan 0.000 0.509 291 L N 0.729 121.983 121.223 0.052 0.000 2.611 291 L HA 0.259 4.597 4.340 -0.004 0.000 0.260 291 L C -1.857 175.051 176.870 0.063 0.000 0.924 291 L CA -0.647 54.218 54.840 0.042 0.000 0.901 291 L CB 2.184 44.259 42.059 0.025 0.000 1.369 291 L HN -0.352 nan 8.230 nan 0.000 0.415 292 V N 5.357 125.298 119.914 0.044 0.000 2.370 292 V HA 0.626 4.743 4.120 -0.004 0.000 0.283 292 V C -0.462 175.634 176.094 0.003 0.000 1.023 292 V CA -0.623 61.701 62.300 0.041 0.000 0.857 292 V CB 1.671 33.500 31.823 0.009 0.000 0.985 292 V HN 0.515 nan 8.190 nan 0.000 0.443 293 V N 6.324 126.204 119.914 -0.057 0.000 2.384 293 V HA 0.639 4.757 4.120 -0.004 0.000 0.287 293 V C -0.180 175.820 176.094 -0.157 0.000 1.020 293 V CA -0.385 61.827 62.300 -0.147 0.000 0.850 293 V CB 1.013 32.747 31.823 -0.149 0.000 0.987 293 V HN 1.195 nan 8.190 nan 0.000 0.436 294 H N 1.676 120.471 119.070 -0.458 0.000 3.110 294 H HA 0.517 5.071 4.556 -0.003 0.000 0.277 294 H C 0.534 175.727 175.328 -0.226 0.000 1.571 294 H CA -0.570 55.329 56.048 -0.249 0.000 1.206 294 H CB 0.899 30.602 29.762 -0.098 0.000 1.852 294 H HN 0.460 nan 8.280 nan 0.000 0.629 295 H N -1.093 117.832 119.070 -0.242 0.000 2.544 295 H HA 0.270 4.823 4.556 -0.004 0.000 0.269 295 H C 1.086 176.240 175.328 -0.290 0.000 0.970 295 H CA 0.515 56.472 56.048 -0.151 0.000 1.219 295 H CB 0.252 30.038 29.762 0.041 0.000 1.421 295 H HN 1.127 nan 8.280 nan 0.000 0.555 296 G N 0.359 108.530 108.800 -1.049 0.000 2.135 296 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.183 296 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.183 296 G C 0.637 175.288 174.900 -0.416 0.000 1.004 296 G CA 0.009 44.682 45.100 -0.710 0.000 0.677 296 G HN 0.828 nan 8.290 nan 0.000 0.512 297 G N 0.088 108.479 108.800 -0.681 0.000 2.544 297 G HA2 0.480 4.438 3.960 -0.004 0.000 0.242 297 G HA3 0.480 4.438 3.960 -0.004 0.000 0.242 297 G C 1.163 176.065 174.900 0.003 0.000 1.247 297 G CA 0.802 45.766 45.100 -0.226 0.000 0.840 297 G HN 0.624 nan 8.290 nan 0.000 0.578 298 S N 1.418 117.149 115.700 0.051 0.000 2.368 298 S HA -0.128 4.340 4.470 -0.004 0.000 0.225 298 S C 2.610 177.281 174.600 0.118 0.000 1.030 298 S CA 1.398 59.663 58.200 0.108 0.000 0.999 298 S CB -0.394 62.861 63.200 0.092 0.000 0.844 298 S HN 0.842 nan 8.310 nan 0.000 0.459 299 G N 1.204 110.073 108.800 0.114 0.000 2.421 299 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.216 299 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.216 299 G C 1.429 176.383 174.900 0.090 0.000 1.171 299 G CA 1.482 46.662 45.100 0.133 0.000 0.775 299 G HN 0.501 nan 8.290 nan 0.000 0.543 300 T N 0.574 115.158 114.554 0.050 0.000 2.985 300 T HA -0.015 4.333 4.350 -0.004 0.000 0.266 300 T C 2.627 177.207 174.700 -0.199 0.000 1.076 300 T CA 1.480 63.517 62.100 -0.105 0.000 1.135 300 T CB -0.236 68.496 68.868 -0.228 0.000 0.890 300 T HN 0.249 nan 8.240 nan 0.000 0.480 301 T N 2.672 117.217 114.554 -0.014 0.000 2.674 301 T HA 0.052 4.400 4.350 -0.004 0.000 0.265 301 T C 1.934 176.639 174.700 0.008 0.000 1.039 301 T CA 0.949 63.089 62.100 0.065 0.000 1.150 301 T CB -0.438 68.529 68.868 0.165 0.000 0.864 301 T HN 0.256 nan 8.240 nan 0.000 0.427 302 L N 0.650 121.885 121.223 0.020 0.000 2.201 302 L HA 0.041 4.379 4.340 -0.004 0.000 0.212 302 L C 2.921 179.779 176.870 -0.020 0.000 1.105 302 L CA 1.015 55.841 54.840 -0.024 0.000 0.775 302 L CB -0.920 41.148 42.059 0.014 0.000 0.913 302 L HN 0.350 nan 8.230 nan 0.000 0.440 303 G N -0.086 108.710 108.800 -0.008 0.000 2.414 303 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.215 303 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.215 303 G C 1.807 176.685 174.900 -0.037 0.000 1.188 303 G CA 0.789 45.880 45.100 -0.014 0.000 0.783 303 G HN 0.433 nan 8.290 nan 0.000 0.537 304 A N 0.620 123.406 122.820 -0.057 0.000 1.883 304 A HA 0.034 4.351 4.320 -0.004 0.000 0.217 304 A C 2.474 180.040 177.584 -0.030 0.000 1.186 304 A CA 1.446 53.456 52.037 -0.046 0.000 0.624 304 A CB -0.503 18.461 19.000 -0.060 0.000 0.822 304 A HN 0.356 nan 8.150 nan 0.000 0.444 305 L N -0.778 120.424 121.223 -0.034 0.000 2.042 305 L HA -0.170 4.168 4.340 -0.004 0.000 0.210 305 L C 2.828 179.673 176.870 -0.041 0.000 1.076 305 L CA 1.248 56.064 54.840 -0.040 0.000 0.749 305 L CB -0.893 41.120 42.059 -0.076 0.000 0.893 305 L HN 0.510 nan 8.230 nan 0.000 0.432 306 G N -0.689 108.086 108.800 -0.041 0.000 2.432 306 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.219 306 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.219 306 G C 1.550 176.429 174.900 -0.035 0.000 1.135 306 G CA 0.715 45.794 45.100 -0.034 0.000 0.767 306 G HN 0.480 nan 8.290 nan 0.000 0.550 307 A N -0.351 122.446 122.820 -0.038 0.000 2.251 307 A HA 0.486 4.804 4.320 -0.004 0.000 0.209 307 A C 1.893 179.454 177.584 -0.037 0.000 1.187 307 A CA 1.179 53.189 52.037 -0.046 0.000 0.823 307 A CB -0.356 18.610 19.000 -0.057 0.000 0.846 307 A HN 1.555 nan 8.150 nan 0.000 0.486 308 G N -0.808 107.976 108.800 -0.026 0.000 2.225 308 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.264 308 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.264 308 G C -0.074 174.824 174.900 -0.003 0.000 1.060 308 G CA 0.284 45.376 45.100 -0.014 0.000 0.833 308 G HN 0.853 nan 8.290 nan 0.000 0.498 309 V N 0.623 120.536 119.914 -0.001 0.000 2.459 309 V HA 0.510 4.628 4.120 -0.004 0.000 0.295 309 V C -1.676 174.434 176.094 0.026 0.000 1.029 309 V CA -1.941 60.365 62.300 0.011 0.000 0.874 309 V CB 2.051 33.875 31.823 0.003 0.000 0.985 309 V HN 0.121 nan 8.190 nan 0.000 0.438 310 P HA 0.162 nan 4.420 nan 0.000 0.267 310 P C -1.017 176.301 177.300 0.028 0.000 1.200 310 P CA -0.041 63.092 63.100 0.055 0.000 0.772 310 P CB 0.239 31.973 31.700 0.058 0.000 0.855 311 Q N 1.588 121.408 119.800 0.032 0.000 2.323 311 Q HA 0.663 5.000 4.340 -0.004 0.000 0.271 311 Q C -1.673 174.327 176.000 0.000 0.000 1.048 311 Q CA -1.198 54.627 55.803 0.036 0.000 0.792 311 Q CB 1.657 30.451 28.738 0.093 0.000 1.280 311 Q HN 0.185 nan 8.270 nan 0.000 0.441 312 L N 2.361 123.555 121.223 -0.049 0.000 2.296 312 L HA 0.645 4.983 4.340 -0.004 0.000 0.286 312 L C -0.987 175.698 176.870 -0.307 0.000 1.023 312 L CA 0.085 54.846 54.840 -0.132 0.000 0.812 312 L CB 1.926 43.906 42.059 -0.133 0.000 1.223 312 L HN 0.880 nan 8.230 nan 0.000 0.421 313 S N 3.250 118.764 115.700 -0.311 0.000 2.566 313 S HA 0.692 5.160 4.470 -0.004 0.000 0.298 313 S C -0.791 173.612 174.600 -0.327 0.000 1.083 313 S CA -0.600 57.272 58.200 -0.547 0.000 0.978 313 S CB 1.241 64.147 63.200 -0.492 0.000 1.073 313 S HN 0.334 nan 8.310 nan 0.000 0.491 314 F N 2.172 122.023 119.950 -0.166 0.000 2.334 314 F HA 0.429 4.954 4.527 -0.004 0.000 0.343 314 F C -2.324 173.392 175.800 -0.139 0.000 1.136 314 F CA -3.003 54.941 58.000 -0.093 0.000 1.237 314 F CB 0.092 39.060 39.000 -0.053 0.000 1.525 314 F HN 0.317 nan 8.300 nan 0.000 0.528 315 P HA -0.053 nan 4.420 nan 0.000 0.268 315 P C 0.021 177.056 177.300 -0.442 0.000 1.204 315 P CA 0.479 63.258 63.100 -0.536 0.000 0.768 315 P CB 1.435 32.509 31.700 -1.043 0.000 0.842 316 W N 3.034 124.043 121.300 -0.485 0.000 3.014 316 W HA 0.345 5.003 4.660 -0.004 0.000 0.155 316 W C -0.994 175.611 176.519 0.144 0.000 0.823 316 W CA 0.660 57.979 57.345 -0.043 0.000 1.258 316 W CB 0.092 29.578 29.460 0.043 0.000 0.588 316 W HN 0.413 nan 8.180 nan 0.000 0.835 317 A N 1.365 124.267 122.820 0.137 0.000 2.330 317 A HA 0.663 4.981 4.320 -0.004 0.000 0.327 317 A C 0.947 178.560 177.584 0.049 0.000 1.155 317 A CA 0.452 52.499 52.037 0.016 0.000 0.803 317 A CB 0.278 19.449 19.000 0.286 0.000 1.208 317 A HN 1.195 nan 8.150 nan 0.000 0.477 318 G N 2.449 111.260 108.800 0.017 0.000 2.651 318 G HA2 -0.368 3.589 3.960 -0.004 0.000 0.315 318 G HA3 -0.368 3.589 3.960 -0.004 0.000 0.315 318 G C 0.393 175.324 174.900 0.052 0.000 1.258 318 G CA 1.120 46.239 45.100 0.031 0.000 1.002 318 G HN 1.558 nan 8.290 nan 0.000 0.551 319 D N 0.865 121.278 120.400 0.021 0.000 2.344 319 D HA 0.227 4.865 4.640 -0.004 0.000 0.242 319 D C 2.106 178.398 176.300 -0.012 0.000 1.159 319 D CA 1.302 55.303 54.000 0.001 0.000 0.859 319 D CB -0.313 40.461 40.800 -0.044 0.000 0.925 319 D HN 0.725 nan 8.370 nan 0.000 0.510 320 S N -0.458 115.222 115.700 -0.033 0.000 2.383 320 S HA -0.148 4.319 4.470 -0.004 0.000 0.227 320 S C 1.684 176.148 174.600 -0.227 0.000 1.026 320 S CA 0.224 58.327 58.200 -0.162 0.000 0.981 320 S CB -0.860 62.205 63.200 -0.226 0.000 0.818 320 S HN 0.205 nan 8.310 nan 0.000 0.472 321 F N 2.515 122.421 119.950 -0.072 0.000 2.206 321 F HA 0.225 4.750 4.527 -0.003 0.000 0.298 321 F C 2.881 178.617 175.800 -0.107 0.000 1.090 321 F CA 0.584 58.523 58.000 -0.102 0.000 1.323 321 F CB -0.910 38.039 39.000 -0.085 0.000 1.028 321 F HN 0.300 nan 8.300 nan 0.000 0.492 322 A N 0.416 123.286 122.820 0.082 0.000 1.902 322 A HA -0.205 4.113 4.320 -0.004 0.000 0.217 322 A C 2.119 179.699 177.584 -0.006 0.000 1.181 322 A CA 1.988 54.022 52.037 -0.004 0.000 0.623 322 A CB -0.790 18.164 19.000 -0.076 0.000 0.818 322 A HN 0.337 nan 8.150 nan 0.000 0.443 323 N N 0.430 119.130 118.700 -0.000 0.000 2.166 323 N HA -0.090 4.648 4.740 -0.004 0.000 0.186 323 N C 1.851 177.387 175.510 0.043 0.000 1.019 323 N CA 1.474 54.568 53.050 0.074 0.000 0.856 323 N CB -0.576 37.949 38.487 0.064 0.000 0.993 323 N HN 0.479 nan 8.380 nan 0.000 0.426 324 A N 1.274 124.057 122.820 -0.061 0.000 1.933 324 A HA -0.172 4.146 4.320 -0.004 0.000 0.218 324 A C 2.168 179.721 177.584 -0.051 0.000 1.175 324 A CA 1.236 53.195 52.037 -0.130 0.000 0.628 324 A CB -0.484 18.274 19.000 -0.403 0.000 0.814 324 A HN 0.351 nan 8.150 nan 0.000 0.444 325 Q N -0.609 119.182 119.800 -0.016 0.000 2.079 325 Q HA -0.064 4.274 4.340 -0.004 0.000 0.200 325 Q C 2.455 178.510 176.000 0.092 0.000 0.974 325 Q CA 1.301 57.131 55.803 0.044 0.000 0.840 325 Q CB -0.402 28.358 28.738 0.038 0.000 0.898 325 Q HN 0.668 nan 8.270 nan 0.000 0.430 326 A N 0.537 123.431 122.820 0.122 0.000 1.908 326 A HA -0.154 4.164 4.320 -0.004 0.000 0.218 326 A C 2.353 180.025 177.584 0.147 0.000 1.181 326 A CA 1.438 53.589 52.037 0.190 0.000 0.627 326 A CB -0.755 18.477 19.000 0.386 0.000 0.818 326 A HN 0.215 nan 8.150 nan 0.000 0.445 327 V N -0.300 119.694 119.914 0.133 0.000 2.358 327 V HA -0.221 3.897 4.120 -0.004 0.000 0.246 327 V C 3.035 179.212 176.094 0.139 0.000 1.047 327 V CA 1.883 64.257 62.300 0.122 0.000 1.035 327 V CB -1.130 30.766 31.823 0.122 0.000 0.658 327 V HN 0.624 nan 8.190 nan 0.000 0.452 328 A N -0.684 122.231 122.820 0.159 0.000 1.898 328 A HA -0.297 4.021 4.320 -0.004 0.000 0.216 328 A C 2.253 179.909 177.584 0.121 0.000 1.181 328 A CA 1.998 54.138 52.037 0.172 0.000 0.620 328 A CB -0.569 18.561 19.000 0.217 0.000 0.819 328 A HN 0.598 nan 8.150 nan 0.000 0.442 329 Q N -0.492 119.372 119.800 0.106 0.000 2.135 329 Q HA -0.143 4.195 4.340 -0.004 0.000 0.204 329 Q C 1.832 177.872 176.000 0.066 0.000 0.981 329 Q CA 1.722 57.574 55.803 0.082 0.000 0.856 329 Q CB -0.295 28.494 28.738 0.086 0.000 0.902 329 Q HN 0.590 nan 8.270 nan 0.000 0.425 330 A N -0.476 122.386 122.820 0.070 0.000 2.251 330 A HA 0.303 4.621 4.320 -0.004 0.000 0.209 330 A C 1.393 179.004 177.584 0.044 0.000 1.187 330 A CA 0.649 52.715 52.037 0.049 0.000 0.823 330 A CB -0.369 18.656 19.000 0.041 0.000 0.846 330 A HN 0.610 nan 8.150 nan 0.000 0.486 331 G N -1.259 107.579 108.800 0.062 0.000 2.283 331 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.280 331 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.280 331 G C 0.821 175.783 174.900 0.103 0.000 1.029 331 G CA 0.539 45.670 45.100 0.053 0.000 0.840 331 G HN 1.465 nan 8.290 nan 0.000 0.505 332 A N -1.038 121.861 122.820 0.131 0.000 2.307 332 A HA 0.687 5.005 4.320 -0.004 0.000 0.218 332 A C 1.578 179.277 177.584 0.191 0.000 1.228 332 A CA 1.359 53.477 52.037 0.136 0.000 0.857 332 A CB 0.045 19.092 19.000 0.077 0.000 0.897 332 A HN 2.240 nan 8.150 nan 0.000 0.495 333 G N -1.598 107.370 108.800 0.280 0.000 2.360 333 G HA2 0.415 4.372 3.960 -0.004 0.000 0.276 333 G HA3 0.415 4.372 3.960 -0.004 0.000 0.276 333 G C -2.093 172.907 174.900 0.166 0.000 1.256 333 G CA 0.207 45.416 45.100 0.183 0.000 0.890 333 G HN 0.133 nan 8.290 nan 0.000 0.486 334 D N -1.368 119.056 120.400 0.040 0.000 2.768 334 D HA 0.552 5.190 4.640 -0.004 0.000 0.327 334 D C -1.136 175.207 176.300 0.072 0.000 1.302 334 D CA -0.149 53.874 54.000 0.038 0.000 0.897 334 D CB 1.692 42.428 40.800 -0.106 0.000 1.420 334 D HN 0.759 nan 8.370 nan 0.000 0.494 335 H N -1.072 118.007 119.070 0.015 0.000 3.008 335 H HA 0.607 5.160 4.556 -0.004 0.000 0.354 335 H C -1.302 174.078 175.328 0.086 0.000 1.252 335 H CA -0.821 55.241 56.048 0.024 0.000 1.117 335 H CB 0.846 30.613 29.762 0.009 0.000 1.857 335 H HN 0.239 nan 8.280 nan 0.000 0.547 336 L N 2.185 123.566 121.223 0.263 0.000 2.385 336 L HA 0.369 4.707 4.340 -0.004 0.000 0.273 336 L C 0.013 177.032 176.870 0.249 0.000 0.990 336 L CA -0.858 54.105 54.840 0.205 0.000 0.821 336 L CB 2.340 44.511 42.059 0.186 0.000 1.279 336 L HN 0.355 nan 8.230 nan 0.000 0.412 337 L N 3.655 125.012 121.223 0.222 0.000 2.464 337 L HA 0.169 4.507 4.340 -0.004 0.000 0.264 337 L C -1.269 175.699 176.870 0.163 0.000 1.199 337 L CA -1.414 53.571 54.840 0.242 0.000 0.818 337 L CB 0.473 42.679 42.059 0.245 0.000 1.102 337 L HN 0.392 nan 8.230 nan 0.000 0.473 338 P HA -0.174 nan 4.420 nan 0.000 0.220 338 P C 0.399 177.735 177.300 0.060 0.000 1.144 338 P CA 1.137 64.323 63.100 0.142 0.000 0.800 338 P CB -0.002 31.887 31.700 0.313 0.000 0.772 339 D N -3.054 117.393 120.400 0.078 0.000 2.340 339 D HA 0.013 4.651 4.640 -0.004 0.000 0.217 339 D C 0.543 176.851 176.300 0.013 0.000 1.081 339 D CA 0.139 54.162 54.000 0.039 0.000 0.842 339 D CB -0.858 39.975 40.800 0.056 0.000 0.934 339 D HN 0.011 nan 8.370 nan 0.000 0.511 340 N N 0.562 119.267 118.700 0.008 0.000 2.553 340 N HA 0.136 4.874 4.740 -0.004 0.000 0.298 340 N C -1.250 174.224 175.510 -0.060 0.000 1.596 340 N CA -0.366 52.679 53.050 -0.009 0.000 0.910 340 N CB 0.146 38.647 38.487 0.024 0.000 1.336 340 N HN 0.007 nan 8.380 nan 0.000 0.497 341 I N 1.577 122.075 120.570 -0.120 0.000 2.328 341 I HA 0.394 4.562 4.170 -0.004 0.000 0.287 341 I C 0.004 176.012 176.117 -0.181 0.000 1.012 341 I CA -0.452 60.707 61.300 -0.235 0.000 1.195 341 I CB 0.402 38.177 38.000 -0.376 0.000 1.350 341 I HN 0.224 nan 8.210 nan 0.000 0.464 342 S N 6.125 121.735 115.700 -0.151 0.000 2.587 342 S HA 0.554 5.022 4.470 -0.004 0.000 0.269 342 S C -2.645 171.908 174.600 -0.078 0.000 1.154 342 S CA -0.998 57.140 58.200 -0.103 0.000 0.824 342 S CB 2.207 65.366 63.200 -0.068 0.000 1.118 342 S HN 0.187 nan 8.310 nan 0.000 0.462 343 P HA -0.110 nan 4.420 nan 0.000 0.216 343 P C 0.572 177.858 177.300 -0.022 0.000 1.154 343 P CA 1.617 64.696 63.100 -0.035 0.000 0.865 343 P CB -0.083 31.599 31.700 -0.031 0.000 0.789 344 D N -1.103 119.283 120.400 -0.023 0.000 2.084 344 D HA -0.124 4.513 4.640 -0.004 0.000 0.196 344 D C 2.190 178.484 176.300 -0.010 0.000 0.985 344 D CA 1.924 55.916 54.000 -0.014 0.000 0.826 344 D CB -0.909 39.882 40.800 -0.014 0.000 0.978 344 D HN 0.180 nan 8.370 nan 0.000 0.456 345 S N -0.039 115.651 115.700 -0.017 0.000 2.382 345 S HA -0.120 4.348 4.470 -0.004 0.000 0.228 345 S C 2.218 176.825 174.600 0.011 0.000 1.027 345 S CA 1.025 59.220 58.200 -0.008 0.000 0.991 345 S CB -0.709 62.480 63.200 -0.018 0.000 0.823 345 S HN 0.090 nan 8.310 nan 0.000 0.469 346 V N 1.773 121.694 119.914 0.012 0.000 2.307 346 V HA -0.119 3.999 4.120 -0.004 0.000 0.245 346 V C 3.026 179.148 176.094 0.046 0.000 1.045 346 V CA 1.868 64.207 62.300 0.065 0.000 1.024 346 V CB -1.198 30.668 31.823 0.072 0.000 0.651 346 V HN 0.688 nan 8.190 nan 0.000 0.449 347 S N 0.645 116.358 115.700 0.022 0.000 2.353 347 S HA -0.179 4.289 4.470 -0.004 0.000 0.222 347 S C 2.120 176.725 174.600 0.008 0.000 1.035 347 S CA 2.110 60.318 58.200 0.014 0.000 1.025 347 S CB -0.808 62.395 63.200 0.006 0.000 0.902 347 S HN 0.621 nan 8.310 nan 0.000 0.440 348 G N 0.665 109.468 108.800 0.005 0.000 2.446 348 G HA2 -0.049 3.909 3.960 -0.004 0.000 0.217 348 G HA3 -0.049 3.909 3.960 -0.004 0.000 0.217 348 G C 1.711 176.606 174.900 -0.010 0.000 1.168 348 G CA 1.075 46.175 45.100 0.000 0.000 0.771 348 G HN 0.752 nan 8.290 nan 0.000 0.551 349 A N 1.049 123.862 122.820 -0.011 0.000 1.898 349 A HA 0.344 4.661 4.320 -0.004 0.000 0.216 349 A C 2.814 180.356 177.584 -0.069 0.000 1.181 349 A CA 2.112 54.123 52.037 -0.044 0.000 0.620 349 A CB -0.748 18.238 19.000 -0.022 0.000 0.819 349 A HN 0.774 nan 8.150 nan 0.000 0.442 350 A N 0.001 122.804 122.820 -0.028 0.000 1.902 350 A HA -0.170 4.148 4.320 -0.004 0.000 0.217 350 A C 2.103 179.667 177.584 -0.033 0.000 1.181 350 A CA 1.834 53.853 52.037 -0.029 0.000 0.623 350 A CB -0.439 18.565 19.000 0.007 0.000 0.818 350 A HN 0.542 nan 8.150 nan 0.000 0.443 351 K N -0.863 119.527 120.400 -0.017 0.000 2.057 351 K HA -0.164 4.154 4.320 -0.004 0.000 0.207 351 K C 2.382 178.977 176.600 -0.009 0.000 1.049 351 K CA 1.559 57.843 56.287 -0.005 0.000 0.931 351 K CB -0.180 32.323 32.500 0.005 0.000 0.714 351 K HN 0.474 nan 8.250 nan 0.000 0.440 352 R N 0.796 121.278 120.500 -0.030 0.000 2.081 352 R HA -0.118 4.220 4.340 -0.004 0.000 0.235 352 R C 1.984 178.245 176.300 -0.066 0.000 1.131 352 R CA 1.119 57.208 56.100 -0.018 0.000 0.960 352 R CB -0.109 30.173 30.300 -0.029 0.000 0.856 352 R HN 0.022 nan 8.270 nan 0.000 0.436 353 L N 0.500 121.584 121.223 -0.232 0.000 2.275 353 L HA -0.070 4.268 4.340 -0.004 0.000 0.215 353 L C 1.972 178.818 176.870 -0.040 0.000 1.119 353 L CA 1.267 55.915 54.840 -0.320 0.000 0.790 353 L CB -0.170 41.675 42.059 -0.356 0.000 0.919 353 L HN 0.239 nan 8.230 nan 0.000 0.443 354 L N -1.977 119.239 121.223 -0.011 0.000 2.202 354 L HA 0.027 4.365 4.340 -0.004 0.000 0.205 354 L C 2.491 179.392 176.870 0.052 0.000 1.083 354 L CA 0.799 55.655 54.840 0.027 0.000 0.790 354 L CB -0.445 41.625 42.059 0.019 0.000 0.942 354 L HN 0.200 nan 8.230 nan 0.000 0.452 355 A N -0.345 122.509 122.820 0.056 0.000 1.903 355 A HA -0.029 4.289 4.320 -0.004 0.000 0.213 355 A C 0.868 178.504 177.584 0.087 0.000 1.185 355 A CA 0.440 52.514 52.037 0.062 0.000 0.628 355 A CB -0.186 18.845 19.000 0.051 0.000 0.830 355 A HN 0.312 nan 8.150 nan 0.000 0.446 356 E N 0.203 120.489 120.200 0.143 0.000 2.180 356 E HA 0.194 4.542 4.350 -0.004 0.000 0.283 356 E C 0.226 176.921 176.600 0.158 0.000 1.061 356 E CA -0.252 56.244 56.400 0.159 0.000 0.861 356 E CB 1.233 31.072 29.700 0.232 0.000 1.056 356 E HN 0.401 nan 8.360 nan 0.000 0.407 357 E N 2.273 122.517 120.200 0.072 0.000 2.265 357 E HA -0.182 4.166 4.350 -0.004 0.000 0.196 357 E C 1.668 178.281 176.600 0.021 0.000 0.996 357 E CA 1.553 57.983 56.400 0.051 0.000 0.832 357 E CB 0.024 29.738 29.700 0.023 0.000 0.756 357 E HN 0.510 nan 8.360 nan 0.000 0.491 358 S N -0.889 114.779 115.700 -0.054 0.000 2.400 358 S HA -0.234 4.234 4.470 -0.004 0.000 0.232 358 S C 1.831 176.330 174.600 -0.170 0.000 1.025 358 S CA 1.235 59.339 58.200 -0.161 0.000 0.993 358 S CB -0.774 62.251 63.200 -0.292 0.000 0.808 358 S HN 0.385 nan 8.310 nan 0.000 0.478 359 Y N 1.933 122.241 120.300 0.013 0.000 2.163 359 Y HA 0.090 4.637 4.550 -0.004 0.000 0.288 359 Y C 2.941 178.848 175.900 0.013 0.000 1.136 359 Y CA 1.245 59.354 58.100 0.016 0.000 1.147 359 Y CB -0.517 37.954 38.460 0.018 0.000 0.987 359 Y HN 0.215 nan 8.280 nan 0.000 0.509 360 R N 0.644 121.242 120.500 0.163 0.000 2.081 360 R HA -0.158 4.180 4.340 -0.004 0.000 0.235 360 R C 2.352 178.680 176.300 0.047 0.000 1.131 360 R CA 1.269 57.422 56.100 0.087 0.000 0.960 360 R CB -0.497 29.843 30.300 0.068 0.000 0.856 360 R HN 0.299 nan 8.270 nan 0.000 0.436 361 A N 0.411 123.249 122.820 0.029 0.000 1.917 361 A HA -0.124 4.193 4.320 -0.004 0.000 0.219 361 A C 2.392 179.978 177.584 0.004 0.000 1.182 361 A CA 1.879 53.919 52.037 0.005 0.000 0.633 361 A CB -1.412 17.580 19.000 -0.013 0.000 0.819 361 A HN 0.609 nan 8.150 nan 0.000 0.448 362 G N -0.824 107.979 108.800 0.006 0.000 2.422 362 G HA2 0.027 3.984 3.960 -0.004 0.000 0.218 362 G HA3 0.027 3.984 3.960 -0.004 0.000 0.218 362 G C 1.713 176.627 174.900 0.023 0.000 1.146 362 G CA 1.421 46.529 45.100 0.012 0.000 0.769 362 G HN 0.826 nan 8.290 nan 0.000 0.547 363 A N 0.939 123.782 122.820 0.038 0.000 1.898 363 A HA 0.035 4.353 4.320 -0.004 0.000 0.216 363 A C 2.437 180.025 177.584 0.006 0.000 1.181 363 A CA 1.450 53.503 52.037 0.026 0.000 0.620 363 A CB -0.327 18.695 19.000 0.037 0.000 0.819 363 A HN 0.363 nan 8.150 nan 0.000 0.442 364 R N -0.281 120.223 120.500 0.007 0.000 2.115 364 R HA -0.021 4.316 4.340 -0.004 0.000 0.230 364 R C 2.397 178.693 176.300 -0.006 0.000 1.111 364 R CA 1.006 57.104 56.100 -0.003 0.000 0.976 364 R CB -0.462 29.837 30.300 -0.001 0.000 0.870 364 R HN 0.502 nan 8.270 nan 0.000 0.445 365 A N 0.939 123.757 122.820 -0.004 0.000 1.877 365 A HA -0.126 4.192 4.320 -0.004 0.000 0.216 365 A C 2.348 179.926 177.584 -0.010 0.000 1.186 365 A CA 1.569 53.602 52.037 -0.006 0.000 0.620 365 A CB -0.544 18.454 19.000 -0.003 0.000 0.822 365 A HN 0.117 nan 8.150 nan 0.000 0.443 366 V N -0.133 119.772 119.914 -0.015 0.000 2.515 366 V HA -0.176 3.942 4.120 -0.004 0.000 0.250 366 V C 2.990 179.063 176.094 -0.034 0.000 1.058 366 V CA 1.613 63.894 62.300 -0.031 0.000 1.064 366 V CB -1.361 30.434 31.823 -0.048 0.000 0.675 366 V HN 0.607 nan 8.190 nan 0.000 0.461 367 A N 0.431 123.236 122.820 -0.026 0.000 1.908 367 A HA -0.174 4.144 4.320 -0.004 0.000 0.218 367 A C 2.442 180.014 177.584 -0.020 0.000 1.181 367 A CA 2.281 54.303 52.037 -0.025 0.000 0.627 367 A CB -0.749 18.238 19.000 -0.022 0.000 0.818 367 A HN 0.576 nan 8.150 nan 0.000 0.445 368 A N -0.482 122.329 122.820 -0.015 0.000 1.873 368 A HA -0.169 4.148 4.320 -0.004 0.000 0.215 368 A C 2.050 179.630 177.584 -0.008 0.000 1.186 368 A CA 1.770 53.801 52.037 -0.010 0.000 0.616 368 A CB -0.584 18.411 19.000 -0.007 0.000 0.823 368 A HN 0.677 nan 8.150 nan 0.000 0.442 369 E N -0.139 120.055 120.200 -0.010 0.000 2.085 369 E HA -0.196 4.151 4.350 -0.004 0.000 0.194 369 E C 1.894 178.490 176.600 -0.006 0.000 0.994 369 E CA 1.416 57.812 56.400 -0.007 0.000 0.801 369 E CB -0.239 29.454 29.700 -0.011 0.000 0.743 369 E HN 0.660 nan 8.360 nan 0.000 0.453 370 I N 0.869 121.428 120.570 -0.018 0.000 2.179 370 I HA -0.263 3.905 4.170 -0.004 0.000 0.242 370 I C 2.560 178.678 176.117 0.001 0.000 1.088 370 I CA 1.067 62.358 61.300 -0.014 0.000 1.357 370 I CB -0.360 37.623 38.000 -0.029 0.000 1.051 370 I HN 0.197 nan 8.210 nan 0.000 0.409 371 A N 0.663 123.482 122.820 -0.002 0.000 2.070 371 A HA 0.083 4.401 4.320 -0.004 0.000 0.220 371 A C 1.512 179.102 177.584 0.009 0.000 1.159 371 A CA 1.286 53.325 52.037 0.002 0.000 0.656 371 A CB -0.595 18.402 19.000 -0.004 0.000 0.800 371 A HN 0.398 nan 8.150 nan 0.000 0.453 375 G N 2.218 111.053 108.800 0.057 0.000 2.606 375 G HA2 0.388 4.346 3.960 -0.004 0.000 0.252 375 G HA3 0.388 4.346 3.960 -0.004 0.000 0.252 375 G C -1.643 173.303 174.900 0.078 0.000 1.206 375 G CA -1.047 44.092 45.100 0.064 0.000 0.861 375 G HN 0.242 nan 8.290 nan 0.000 0.561 376 P HA -0.119 nan 4.420 nan 0.000 0.216 376 P C 1.169 178.528 177.300 0.100 0.000 1.153 376 P CA 1.213 64.382 63.100 0.116 0.000 0.858 376 P CB 0.251 32.027 31.700 0.127 0.000 0.789 377 D N -1.117 119.329 120.400 0.077 0.000 2.178 377 D HA -0.156 4.481 4.640 -0.004 0.000 0.202 377 D C 1.954 178.284 176.300 0.050 0.000 0.974 377 D CA 0.953 54.990 54.000 0.062 0.000 0.841 377 D CB -0.327 40.501 40.800 0.046 0.000 0.953 377 D HN 0.376 nan 8.370 nan 0.000 0.478 378 E N 0.312 120.541 120.200 0.048 0.000 2.051 378 E HA -0.096 4.252 4.350 -0.004 0.000 0.189 378 E C 2.019 178.640 176.600 0.035 0.000 0.979 378 E CA 0.520 56.942 56.400 0.036 0.000 0.803 378 E CB 0.217 29.939 29.700 0.038 0.000 0.761 378 E HN -0.052 nan 8.360 nan 0.000 0.451 379 V N 1.105 121.052 119.914 0.055 0.000 2.490 379 V HA -0.208 3.910 4.120 -0.004 0.000 0.250 379 V C 2.412 178.532 176.094 0.043 0.000 1.061 379 V CA 1.409 63.742 62.300 0.055 0.000 1.064 379 V CB -0.206 31.672 31.823 0.091 0.000 0.670 379 V HN 0.272 nan 8.190 nan 0.000 0.461 380 V N 0.326 120.284 119.914 0.072 0.000 2.720 380 V HA -0.234 3.884 4.120 -0.004 0.000 0.256 380 V C 2.533 178.651 176.094 0.039 0.000 1.082 380 V CA 1.861 64.215 62.300 0.091 0.000 1.101 380 V CB -0.588 31.314 31.823 0.133 0.000 0.693 380 V HN 0.524 nan 8.190 nan 0.000 0.479 381 R N -0.621 119.879 120.500 0.001 0.000 2.285 381 R HA 0.002 4.339 4.340 -0.004 0.000 0.213 381 R C 1.868 178.087 176.300 -0.136 0.000 1.068 381 R CA 0.970 57.048 56.100 -0.037 0.000 1.004 381 R CB -0.206 30.075 30.300 -0.033 0.000 0.873 381 R HN 0.468 nan 8.270 nan 0.000 0.467 382 L N 0.064 121.153 121.223 -0.224 0.000 2.446 382 L HA 0.004 4.341 4.340 -0.004 0.000 0.219 382 L C 1.958 178.376 176.870 -0.752 0.000 1.116 382 L CA 0.235 54.742 54.840 -0.555 0.000 0.844 382 L CB -0.169 41.467 42.059 -0.705 0.000 0.970 382 L HN 0.180 nan 8.230 nan 0.000 0.457 383 L N 0.421 121.462 121.223 -0.304 0.000 2.012 383 L HA -0.165 4.173 4.340 -0.004 0.000 0.210 383 L C -0.062 176.710 176.870 -0.164 0.000 1.073 383 L CA 1.720 56.485 54.840 -0.125 0.000 0.748 383 L CB -1.948 40.072 42.059 -0.065 0.000 0.891 383 L HN 0.242 nan 8.230 nan 0.000 0.431 384 P HA -0.145 nan 4.420 nan 0.000 0.215 384 P C 1.587 178.817 177.300 -0.117 0.000 1.153 384 P CA 1.742 64.778 63.100 -0.107 0.000 0.853 384 P CB -0.203 31.460 31.700 -0.062 0.000 0.788 385 G N -1.424 107.239 108.800 -0.228 0.000 2.422 385 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.218 385 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.218 385 G C 1.112 175.946 174.900 -0.110 0.000 1.146 385 G CA 0.394 45.366 45.100 -0.214 0.000 0.769 385 G HN 0.123 nan 8.290 nan 0.000 0.547 386 F N 1.703 121.611 119.950 -0.070 0.000 2.146 386 F HA 0.148 4.673 4.527 -0.004 0.000 0.298 386 F C 2.954 178.717 175.800 -0.062 0.000 1.096 386 F CA 0.242 58.199 58.000 -0.072 0.000 1.275 386 F CB -0.912 38.024 39.000 -0.106 0.000 1.008 386 F HN 0.248 nan 8.300 nan 0.000 0.480 387 A N -0.903 121.981 122.820 0.107 0.000 1.930 387 A HA -0.084 4.234 4.320 -0.004 0.000 0.217 387 A C 1.836 179.440 177.584 0.033 0.000 1.175 387 A CA 1.174 53.236 52.037 0.041 0.000 0.627 387 A CB -0.948 18.055 19.000 0.004 0.000 0.815 387 A HN 0.287 nan 8.150 nan 0.000 0.443 388 S N 0.000 115.715 115.700 0.024 0.000 2.498 388 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 388 S CA 0.000 58.210 58.200 0.017 0.000 1.107 388 S CB 0.000 63.202 63.200 0.003 0.000 0.593 388 S HN 0.000 nan 8.310 nan 0.000 0.517