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 3oqb_1_D DATA FIRST_RESID 3 DATA SEQUENCE TTQRLGLIXN GVTGRXGLNQ HLIRSIVAIR DQGGVRLKNG DRIXPDPILV DATA SEQUENCE GRSAEKVEAL AKRFNIARWT TDLDAALADK NDTXFFDAAT TQARPGLLTQ DATA SEQUENCE AINAGKHVYC EKPIATNFEE ALEVVKLANS KGVKHGTVQD KLFLPGLKKI DATA SEQUENCE AFLRDSGFFG RILSVRGEFG YWVFEGGWQE AQRPSWNYRD EDGGGIILDX DATA SEQUENCE VCHWRYVLDN LFGNVQSVVC IGNTDIPERF DEQGKKYKAT ADDSAYATFQ DATA SEQUENCE LEGGVIAHIN XSWVTRVYRD DLVTFQVDGT HGSAVAGLSD CXIQARQATP DATA SEQUENCE RPVWNPXXKR LHDFYGDWQK LPDNVSYDNG FKEQWEXFIR HVYEDAPYKF DATA SEQUENCE TLLEGAKGVQ LAECALKSWK ERRWIDVAPI 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.683 174.700 -0.028 0.000 1.109 3 T CA 0.000 62.090 62.100 -0.018 0.000 1.349 3 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 4 T N 2.910 117.448 114.554 -0.027 0.000 2.832 4 T HA 0.608 4.958 4.350 -0.000 0.000 0.313 4 T C -0.490 174.187 174.700 -0.039 0.000 1.035 4 T CA -0.314 61.764 62.100 -0.038 0.000 0.950 4 T CB 1.627 70.477 68.868 -0.031 0.000 0.984 4 T HN 0.410 nan 8.240 nan 0.000 0.486 5 Q N 2.152 121.915 119.800 -0.061 0.000 2.199 5 Q HA 0.504 4.844 4.340 -0.000 0.000 0.232 5 Q C -0.081 175.873 176.000 -0.077 0.000 0.969 5 Q CA -0.904 54.864 55.803 -0.058 0.000 0.925 5 Q CB 1.159 29.851 28.738 -0.078 0.000 1.198 5 Q HN 0.449 nan 8.270 nan 0.000 0.494 6 R N 1.633 122.109 120.500 -0.041 0.000 2.562 6 R HA 0.440 4.780 4.340 -0.000 0.000 0.298 6 R C -1.793 174.507 176.300 -0.000 0.000 0.961 6 R CA -0.708 55.377 56.100 -0.026 0.000 0.881 6 R CB 0.973 31.278 30.300 0.010 0.000 1.159 6 R HN 0.497 nan 8.270 nan 0.000 0.450 7 L N 3.572 124.789 121.223 -0.011 0.000 2.345 7 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 7 L C -0.454 176.477 176.870 0.103 0.000 0.999 7 L CA -0.046 54.840 54.840 0.076 0.000 0.849 7 L CB 1.694 43.751 42.059 -0.004 0.000 1.220 7 L HN 0.729 nan 8.230 nan 0.000 0.422 8 G N 5.200 114.083 108.800 0.138 0.000 2.508 8 G HA2 0.422 4.382 3.960 -0.000 0.000 0.301 8 G HA3 0.422 4.382 3.960 -0.000 0.000 0.301 8 G C -0.933 174.068 174.900 0.167 0.000 0.965 8 G CA -0.197 44.978 45.100 0.126 0.000 1.339 8 G HN 0.600 nan 8.290 nan 0.000 0.455 9 L N 4.541 125.858 121.223 0.157 0.000 2.333 9 L HA 0.773 5.113 4.340 -0.000 0.000 0.280 9 L C -0.232 176.761 176.870 0.206 0.000 1.004 9 L CA -1.222 53.742 54.840 0.207 0.000 0.820 9 L CB 1.594 43.759 42.059 0.177 0.000 1.247 9 L HN 0.509 nan 8.230 nan 0.000 0.416 13 G N 0.847 109.617 108.800 -0.050 0.000 3.496 13 G HA2 0.272 4.232 3.960 -0.000 0.000 0.273 13 G HA3 0.272 4.232 3.960 -0.000 0.000 0.273 13 G C 0.932 175.862 174.900 0.050 0.000 1.279 13 G CA 0.514 45.597 45.100 -0.028 0.000 1.041 13 G HN 0.360 nan 8.290 nan 0.000 0.539 14 V N -3.250 116.722 119.914 0.096 0.000 3.573 14 V HA 0.041 4.161 4.120 -0.000 0.000 0.270 14 V C 2.162 178.307 176.094 0.084 0.000 1.221 14 V CA 1.431 63.801 62.300 0.118 0.000 1.163 14 V CB -0.556 31.343 31.823 0.128 0.000 0.847 14 V HN 0.123 nan 8.190 nan 0.000 0.468 15 T N 1.190 115.783 114.554 0.066 0.000 2.857 15 T HA 0.156 4.506 4.350 -0.000 0.000 0.266 15 T C 1.363 176.092 174.700 0.049 0.000 1.048 15 T CA 1.245 63.376 62.100 0.051 0.000 1.139 15 T CB -0.338 68.552 68.868 0.036 0.000 0.874 15 T HN 0.750 nan 8.240 nan 0.000 0.455 16 G N 2.008 110.836 108.800 0.047 0.000 2.479 16 G HA2 0.300 4.260 3.960 -0.000 0.000 0.275 16 G HA3 0.300 4.260 3.960 -0.000 0.000 0.275 16 G C 0.335 175.271 174.900 0.060 0.000 1.421 16 G CA -0.674 44.455 45.100 0.049 0.000 1.059 16 G HN 0.431 nan 8.290 nan 0.000 0.535 20 L N 1.548 122.813 121.223 0.070 0.000 1.993 20 L HA 0.322 4.662 4.340 -0.000 0.000 0.206 20 L C 2.051 178.890 176.870 -0.050 0.000 1.074 20 L CA 2.502 57.355 54.840 0.021 0.000 0.746 20 L CB -0.849 41.241 42.059 0.052 0.000 0.896 20 L HN 0.227 nan 8.230 nan 0.000 0.435 21 N N -1.093 117.577 118.700 -0.050 0.000 2.142 21 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 21 N C 1.676 177.081 175.510 -0.174 0.000 1.023 21 N CA 1.307 54.305 53.050 -0.087 0.000 0.852 21 N CB 0.067 38.522 38.487 -0.054 0.000 0.998 21 N HN 0.495 nan 8.380 nan 0.000 0.424 22 Q N -0.160 119.466 119.800 -0.290 0.000 2.200 22 Q HA 0.039 4.378 4.340 -0.000 0.000 0.197 22 Q C 1.780 177.491 176.000 -0.481 0.000 0.953 22 Q CA 0.998 56.470 55.803 -0.552 0.000 0.851 22 Q CB -0.286 27.713 28.738 -1.233 0.000 0.938 22 Q HN 0.535 nan 8.270 nan 0.000 0.488 23 H N -0.283 118.685 119.070 -0.170 0.000 2.370 23 H HA 0.046 4.602 4.556 -0.000 0.000 0.304 23 H C 2.068 177.218 175.328 -0.298 0.000 1.055 23 H CA 0.598 56.586 56.048 -0.100 0.000 1.373 23 H CB 0.070 29.892 29.762 0.099 0.000 1.423 23 H HN 0.056 nan 8.280 nan 0.000 0.533 24 L N 0.817 121.963 121.223 -0.129 0.000 2.022 24 L HA -0.025 4.315 4.340 -0.000 0.000 0.204 24 L C 2.338 178.965 176.870 -0.405 0.000 1.076 24 L CA 1.185 55.857 54.840 -0.281 0.000 0.749 24 L CB -0.671 41.249 42.059 -0.232 0.000 0.903 24 L HN 0.054 nan 8.230 nan 0.000 0.439 25 I N -0.748 119.585 120.570 -0.396 0.000 2.060 25 I HA -0.243 3.927 4.170 -0.000 0.000 0.233 25 I C 2.377 178.333 176.117 -0.267 0.000 1.054 25 I CA 1.093 62.144 61.300 -0.416 0.000 1.318 25 I CB -0.409 37.429 38.000 -0.269 0.000 1.054 25 I HN 0.182 nan 8.210 nan 0.000 0.395 26 R N 0.405 120.789 120.500 -0.193 0.000 2.280 26 R HA 0.034 4.374 4.340 -0.000 0.000 0.207 26 R C 1.856 178.086 176.300 -0.117 0.000 1.043 26 R CA 0.656 56.683 56.100 -0.121 0.000 1.006 26 R CB -0.100 30.154 30.300 -0.077 0.000 0.885 26 R HN 0.387 nan 8.270 nan 0.000 0.467 27 S N 0.113 115.696 115.700 -0.195 0.000 3.036 27 S HA 0.102 4.571 4.470 -0.000 0.000 0.194 27 S C 1.712 176.094 174.600 -0.363 0.000 0.797 27 S CA -0.309 57.748 58.200 -0.240 0.000 0.822 27 S CB -0.114 62.904 63.200 -0.304 0.000 0.810 27 S HN -0.049 nan 8.310 nan 0.000 0.629 28 I N 2.195 122.441 120.570 -0.540 0.000 2.179 28 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 28 I C 2.244 178.169 176.117 -0.319 0.000 1.088 28 I CA 1.081 62.076 61.300 -0.508 0.000 1.357 28 I CB -0.491 37.146 38.000 -0.606 0.000 1.051 28 I HN 0.103 nan 8.210 nan 0.000 0.409 29 V N 0.561 120.286 119.914 -0.315 0.000 2.343 29 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 29 V C 2.635 178.634 176.094 -0.159 0.000 1.051 29 V CA 1.820 63.974 62.300 -0.242 0.000 1.036 29 V CB -1.249 30.356 31.823 -0.363 0.000 0.654 29 V HN 0.512 nan 8.190 nan 0.000 0.451 30 A N -0.057 122.665 122.820 -0.162 0.000 1.908 30 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 30 A C 2.177 179.707 177.584 -0.091 0.000 1.181 30 A CA 2.120 54.096 52.037 -0.102 0.000 0.627 30 A CB -0.560 18.386 19.000 -0.089 0.000 0.818 30 A HN 0.516 nan 8.150 nan 0.000 0.445 31 I N -1.119 119.376 120.570 -0.124 0.000 2.252 31 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 31 I C 2.772 178.833 176.117 -0.092 0.000 1.102 31 I CA 1.352 62.587 61.300 -0.107 0.000 1.385 31 I CB -0.315 37.600 38.000 -0.142 0.000 1.064 31 I HN 0.278 nan 8.210 nan 0.000 0.414 32 R N 0.648 121.085 120.500 -0.104 0.000 2.091 32 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 32 R C 1.755 178.026 176.300 -0.049 0.000 1.136 32 R CA 1.808 57.863 56.100 -0.076 0.000 0.959 32 R CB -0.341 29.915 30.300 -0.072 0.000 0.856 32 R HN 0.345 nan 8.270 nan 0.000 0.437 33 D N 0.024 120.398 120.400 -0.045 0.000 2.234 33 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 33 D C 1.681 177.967 176.300 -0.024 0.000 0.962 33 D CA 0.838 54.823 54.000 -0.025 0.000 0.855 33 D CB -0.061 40.729 40.800 -0.017 0.000 0.951 33 D HN 0.239 nan 8.370 nan 0.000 0.500 34 Q N -0.546 119.235 119.800 -0.032 0.000 2.291 34 Q HA 0.026 4.366 4.340 -0.000 0.000 0.205 34 Q C 1.035 177.018 176.000 -0.027 0.000 0.970 34 Q CA 1.120 56.907 55.803 -0.026 0.000 0.876 34 Q CB 0.197 28.917 28.738 -0.029 0.000 0.935 34 Q HN 0.380 nan 8.270 nan 0.000 0.455 35 G N -1.074 107.706 108.800 -0.033 0.000 2.148 35 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.203 35 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.203 35 G C 0.308 175.181 174.900 -0.045 0.000 0.993 35 G CA -0.256 44.824 45.100 -0.034 0.000 0.661 35 G HN 0.784 nan 8.290 nan 0.000 0.518 36 G N -2.329 106.437 108.800 -0.055 0.000 2.434 36 G HA2 0.308 4.268 3.960 -0.000 0.000 0.671 36 G HA3 0.308 4.268 3.960 -0.000 0.000 0.671 36 G C -0.428 174.434 174.900 -0.065 0.000 1.280 36 G CA 0.040 45.097 45.100 -0.072 0.000 0.975 36 G HN 1.462 nan 8.290 nan 0.000 0.510 37 V N 2.530 122.397 119.914 -0.078 0.000 2.385 37 V HA 0.508 4.628 4.120 -0.000 0.000 0.269 37 V C 1.103 177.164 176.094 -0.054 0.000 1.043 37 V CA -0.405 61.861 62.300 -0.057 0.000 0.906 37 V CB 1.179 32.966 31.823 -0.060 0.000 0.995 37 V HN 0.985 nan 8.190 nan 0.000 0.467 38 R N 6.578 127.060 120.500 -0.030 0.000 2.491 38 R HA 0.359 4.699 4.340 -0.000 0.000 0.283 38 R C -1.060 175.231 176.300 -0.015 0.000 1.072 38 R CA -0.021 56.066 56.100 -0.023 0.000 1.048 38 R CB 0.364 30.658 30.300 -0.011 0.000 0.983 38 R HN 0.606 nan 8.270 nan 0.000 0.450 39 L N 2.597 123.810 121.223 -0.017 0.000 2.365 39 L HA 0.331 4.671 4.340 -0.000 0.000 0.267 39 L C 1.877 178.749 176.870 0.004 0.000 1.033 39 L CA -0.760 54.078 54.840 -0.004 0.000 0.802 39 L CB 0.839 42.894 42.059 -0.006 0.000 1.267 39 L HN 0.694 nan 8.230 nan 0.000 0.457 40 K N 0.840 121.247 120.400 0.012 0.000 2.103 40 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 40 K C 1.341 177.946 176.600 0.008 0.000 1.048 40 K CA 1.705 58.000 56.287 0.012 0.000 0.930 40 K CB 0.033 32.543 32.500 0.016 0.000 0.716 40 K HN 0.691 nan 8.250 nan 0.000 0.444 41 N N -0.796 117.908 118.700 0.006 0.000 2.461 41 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 41 N C 1.109 176.619 175.510 0.000 0.000 1.134 41 N CA 1.053 54.105 53.050 0.004 0.000 0.878 41 N CB 0.662 39.152 38.487 0.006 0.000 0.972 41 N HN 0.371 nan 8.380 nan 0.000 0.456 42 G N 0.174 108.973 108.800 -0.002 0.000 2.234 42 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 42 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 42 G C -0.396 174.497 174.900 -0.012 0.000 0.997 42 G CA 0.142 45.238 45.100 -0.006 0.000 0.623 42 G HN 0.419 nan 8.290 nan 0.000 0.514 43 D N 0.770 121.161 120.400 -0.015 0.000 2.368 43 D HA 0.530 5.170 4.640 -0.000 0.000 0.240 43 D C 0.951 177.226 176.300 -0.041 0.000 1.169 43 D CA 0.233 54.217 54.000 -0.025 0.000 0.906 43 D CB 0.399 41.185 40.800 -0.023 0.000 1.187 43 D HN 0.436 nan 8.370 nan 0.000 0.435 44 R N 1.285 121.752 120.500 -0.056 0.000 2.480 44 R HA 0.422 4.762 4.340 -0.000 0.000 0.306 44 R C -0.191 176.038 176.300 -0.118 0.000 0.958 44 R CA -0.837 55.218 56.100 -0.074 0.000 0.861 44 R CB 1.595 31.861 30.300 -0.057 0.000 1.171 44 R HN 0.304 nan 8.270 nan 0.000 0.445 48 D N 3.381 123.779 120.400 -0.004 0.000 2.479 48 D HA 0.329 4.969 4.640 -0.000 0.000 0.247 48 D C -2.334 173.989 176.300 0.039 0.000 1.119 48 D CA -1.850 52.160 54.000 0.016 0.000 0.922 48 D CB 1.113 41.927 40.800 0.023 0.000 1.014 48 D HN 0.037 nan 8.370 nan 0.000 0.510 49 P HA 0.344 nan 4.420 nan 0.000 0.281 49 P C -0.466 176.892 177.300 0.098 0.000 1.249 49 P CA -0.731 62.403 63.100 0.057 0.000 0.810 49 P CB 1.665 33.373 31.700 0.012 0.000 1.008 50 I N 2.103 122.748 120.570 0.126 0.000 2.466 50 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 50 I C -0.961 175.265 176.117 0.181 0.000 1.026 50 I CA -1.284 60.108 61.300 0.153 0.000 1.078 50 I CB 1.007 39.081 38.000 0.123 0.000 1.249 50 I HN 0.133 nan 8.210 nan 0.000 0.429 51 L N 7.171 128.525 121.223 0.219 0.000 2.343 51 L HA 0.579 4.918 4.340 -0.000 0.000 0.275 51 L C 0.172 177.173 176.870 0.218 0.000 1.056 51 L CA -0.669 54.293 54.840 0.204 0.000 0.804 51 L CB 1.456 43.626 42.059 0.185 0.000 1.203 51 L HN 0.452 nan 8.230 nan 0.000 0.440 52 V N 0.609 120.630 119.914 0.179 0.000 3.945 52 V HA 0.339 4.459 4.120 -0.000 0.000 0.196 52 V C 1.362 177.534 176.094 0.130 0.000 1.110 52 V CA 0.596 62.994 62.300 0.163 0.000 1.411 52 V CB -0.485 31.432 31.823 0.157 0.000 1.707 52 V HN 1.075 nan 8.190 nan 0.000 0.477 53 G N 1.032 109.891 108.800 0.098 0.000 2.258 53 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.274 53 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.274 53 G C 0.922 175.855 174.900 0.054 0.000 1.021 53 G CA 2.078 47.218 45.100 0.067 0.000 0.798 53 G HN 0.781 nan 8.290 nan 0.000 0.507 54 R N -1.971 118.566 120.500 0.061 0.000 1.238 54 R HA -0.250 4.090 4.340 -0.000 0.000 0.031 54 R C 0.865 177.195 176.300 0.049 0.000 0.958 54 R CA 2.283 58.411 56.100 0.047 0.000 1.983 54 R CB -1.799 28.516 30.300 0.026 0.000 0.178 54 R HN 1.613 nan 8.270 nan 0.000 0.730 55 S N 0.128 115.851 115.700 0.039 0.000 2.429 55 S HA 0.659 5.129 4.470 -0.000 0.000 0.302 55 S C 0.929 175.547 174.600 0.030 0.000 1.115 55 S CA 0.303 58.522 58.200 0.031 0.000 1.095 55 S CB 1.790 64.997 63.200 0.013 0.000 0.987 55 S HN 0.534 nan 8.310 nan 0.000 0.474 56 A N 4.464 127.315 122.820 0.052 0.000 1.897 56 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 56 A C 1.937 179.486 177.584 -0.058 0.000 1.181 56 A CA 1.335 53.411 52.037 0.066 0.000 0.620 56 A CB -0.692 18.411 19.000 0.173 0.000 0.821 56 A HN 0.980 nan 8.150 nan 0.000 0.443 57 E N 0.142 120.321 120.200 -0.036 0.000 2.265 57 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 57 E C 1.324 177.859 176.600 -0.108 0.000 0.996 57 E CA 1.442 57.800 56.400 -0.069 0.000 0.832 57 E CB -0.236 29.446 29.700 -0.030 0.000 0.756 57 E HN 0.599 nan 8.360 nan 0.000 0.491 58 K N 0.275 120.620 120.400 -0.091 0.000 2.353 58 K HA 0.141 4.461 4.320 -0.000 0.000 0.195 58 K C 1.654 178.182 176.600 -0.120 0.000 1.031 58 K CA 0.038 56.271 56.287 -0.089 0.000 1.079 58 K CB 0.995 33.469 32.500 -0.044 0.000 0.857 58 K HN -0.049 nan 8.250 nan 0.000 0.535 59 V N 1.798 121.608 119.914 -0.172 0.000 2.825 59 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 59 V C 2.179 178.003 176.094 -0.449 0.000 1.068 59 V CA 1.349 63.528 62.300 -0.201 0.000 1.088 59 V CB 0.330 32.105 31.823 -0.079 0.000 0.733 59 V HN 0.330 nan 8.190 nan 0.000 0.468 60 E N 0.841 120.591 120.200 -0.751 0.000 2.216 60 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 60 E C 1.929 178.233 176.600 -0.492 0.000 0.988 60 E CA 1.395 57.167 56.400 -1.046 0.000 0.834 60 E CB -0.199 28.681 29.700 -1.366 0.000 0.772 60 E HN 0.525 nan 8.360 nan 0.000 0.479 61 A N 1.631 124.255 122.820 -0.328 0.000 1.898 61 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 61 A C 2.283 179.750 177.584 -0.195 0.000 1.181 61 A CA 1.325 53.235 52.037 -0.213 0.000 0.620 61 A CB -0.721 18.185 19.000 -0.156 0.000 0.819 61 A HN 0.297 nan 8.150 nan 0.000 0.442 62 L N -0.423 120.702 121.223 -0.163 0.000 2.083 62 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 62 L C 2.727 179.580 176.870 -0.028 0.000 1.083 62 L CA 1.880 56.680 54.840 -0.067 0.000 0.752 62 L CB -0.447 41.612 42.059 0.000 0.000 0.899 62 L HN 0.352 nan 8.230 nan 0.000 0.433 63 A N -1.138 121.610 122.820 -0.120 0.000 1.969 63 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 63 A C 2.412 179.968 177.584 -0.047 0.000 1.169 63 A CA 1.707 53.712 52.037 -0.054 0.000 0.635 63 A CB -0.467 18.418 19.000 -0.191 0.000 0.810 63 A HN 0.436 nan 8.150 nan 0.000 0.445 64 K N -0.163 120.153 120.400 -0.140 0.000 2.103 64 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 64 K C 2.151 178.632 176.600 -0.199 0.000 1.052 64 K CA 0.855 57.066 56.287 -0.126 0.000 0.945 64 K CB -0.138 32.282 32.500 -0.132 0.000 0.722 64 K HN 0.467 nan 8.250 nan 0.000 0.443 65 R N -0.440 119.838 120.500 -0.370 0.000 2.139 65 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 65 R C 0.804 176.629 176.300 -0.793 0.000 1.145 65 R CA 1.264 56.952 56.100 -0.687 0.000 0.976 65 R CB -0.197 29.442 30.300 -1.101 0.000 0.866 65 R HN 0.195 nan 8.270 nan 0.000 0.449 66 F N 0.871 120.804 119.950 -0.027 0.000 2.805 66 F HA 0.200 4.726 4.527 -0.000 0.000 0.317 66 F C 0.043 175.836 175.800 -0.012 0.000 1.146 66 F CA -1.062 56.925 58.000 -0.022 0.000 1.265 66 F CB -0.826 38.156 39.000 -0.029 0.000 0.992 66 F HN 0.135 nan 8.300 nan 0.000 0.511 67 N N 0.334 119.074 118.700 0.066 0.000 2.704 67 N HA -0.296 4.444 4.740 -0.000 0.000 0.259 67 N C -0.508 175.062 175.510 0.100 0.000 0.957 67 N CA -0.117 52.971 53.050 0.063 0.000 0.804 67 N CB -1.308 37.203 38.487 0.039 0.000 0.917 67 N HN 0.337 nan 8.380 nan 0.000 0.545 68 I N 0.275 120.926 120.570 0.134 0.000 2.533 68 I HA 0.106 4.276 4.170 -0.000 0.000 0.284 68 I C 1.539 177.764 176.117 0.179 0.000 1.109 68 I CA 0.281 61.667 61.300 0.143 0.000 1.412 68 I CB 1.156 39.251 38.000 0.157 0.000 1.396 68 I HN 0.479 nan 8.210 nan 0.000 0.543 69 A N 7.430 130.343 122.820 0.153 0.000 2.238 69 A HA 0.201 4.521 4.320 -0.000 0.000 0.208 69 A C 0.940 178.630 177.584 0.176 0.000 1.177 69 A CA 0.454 52.586 52.037 0.159 0.000 0.804 69 A CB -0.123 18.930 19.000 0.089 0.000 0.823 69 A HN 0.664 nan 8.150 nan 0.000 0.482 70 R N 0.077 120.709 120.500 0.220 0.000 2.628 70 R HA 0.537 4.877 4.340 -0.000 0.000 0.288 70 R C -1.497 174.982 176.300 0.298 0.000 0.980 70 R CA -0.523 55.655 56.100 0.130 0.000 0.891 70 R CB 1.816 32.159 30.300 0.071 0.000 1.188 70 R HN 0.610 nan 8.270 nan 0.000 0.450 71 W N 0.060 121.386 121.300 0.044 0.000 3.161 71 W HA 0.452 5.112 4.660 -0.000 0.000 0.314 71 W C -1.458 175.087 176.519 0.043 0.000 1.245 71 W CA -0.812 56.562 57.345 0.049 0.000 1.191 71 W CB 0.707 30.195 29.460 0.047 0.000 1.392 71 W HN 0.644 nan 8.180 nan 0.000 0.568 72 T N -2.184 112.530 114.554 0.265 0.000 2.671 72 T HA 0.523 4.873 4.350 -0.000 0.000 0.300 72 T C 0.222 175.058 174.700 0.227 0.000 1.238 72 T CA 0.089 62.281 62.100 0.153 0.000 1.020 72 T CB 1.881 70.768 68.868 0.030 0.000 1.503 72 T HN 0.651 nan 8.240 nan 0.000 0.497 73 T N -3.012 111.633 114.554 0.152 0.000 3.084 73 T HA 0.318 4.668 4.350 -0.000 0.000 0.270 73 T C -0.304 174.442 174.700 0.076 0.000 1.008 73 T CA -0.061 62.112 62.100 0.122 0.000 0.900 73 T CB -0.185 68.752 68.868 0.114 0.000 1.084 73 T HN 0.549 nan 8.240 nan 0.000 0.538 74 D N 1.690 122.126 120.400 0.061 0.000 2.479 74 D HA 0.263 4.903 4.640 -0.000 0.000 0.247 74 D C 1.189 177.509 176.300 0.033 0.000 1.119 74 D CA -0.641 53.380 54.000 0.034 0.000 0.922 74 D CB 0.385 41.194 40.800 0.015 0.000 1.014 74 D HN 0.016 nan 8.370 nan 0.000 0.510 75 L N 2.456 123.701 121.223 0.036 0.000 2.079 75 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 75 L C 0.518 177.382 176.870 -0.009 0.000 1.081 75 L CA 1.977 56.836 54.840 0.032 0.000 0.752 75 L CB -0.180 41.897 42.059 0.030 0.000 0.896 75 L HN 0.351 nan 8.230 nan 0.000 0.433 76 D N 0.201 120.590 120.400 -0.019 0.000 2.144 76 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 76 D C 2.215 178.498 176.300 -0.030 0.000 0.978 76 D CA 1.288 55.266 54.000 -0.037 0.000 0.833 76 D CB 0.001 40.782 40.800 -0.032 0.000 0.961 76 D HN 0.437 nan 8.370 nan 0.000 0.470 77 A N 0.772 123.582 122.820 -0.016 0.000 2.016 77 A HA 0.240 4.560 4.320 -0.000 0.000 0.217 77 A C 2.222 179.803 177.584 -0.006 0.000 1.162 77 A CA 1.188 53.216 52.037 -0.014 0.000 0.662 77 A CB -0.599 18.393 19.000 -0.013 0.000 0.812 77 A HN 0.223 nan 8.150 nan 0.000 0.450 78 A N -0.200 122.624 122.820 0.007 0.000 1.969 78 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 78 A C 2.061 179.660 177.584 0.025 0.000 1.169 78 A CA 1.325 53.380 52.037 0.031 0.000 0.635 78 A CB -0.445 18.595 19.000 0.067 0.000 0.810 78 A HN 0.465 nan 8.150 nan 0.000 0.445 79 L N -1.259 119.955 121.223 -0.014 0.000 2.209 79 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 79 L C 2.981 179.831 176.870 -0.033 0.000 1.094 79 L CA 0.749 55.561 54.840 -0.046 0.000 0.790 79 L CB -0.406 41.582 42.059 -0.118 0.000 0.932 79 L HN 0.405 nan 8.230 nan 0.000 0.447 80 A N -0.974 121.829 122.820 -0.028 0.000 1.969 80 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 80 A C 1.085 178.662 177.584 -0.013 0.000 1.169 80 A CA 0.760 52.783 52.037 -0.023 0.000 0.635 80 A CB -0.435 18.552 19.000 -0.022 0.000 0.810 80 A HN 0.296 nan 8.150 nan 0.000 0.445 81 D N 0.434 120.832 120.400 -0.003 0.000 2.356 81 D HA 0.056 4.696 4.640 -0.000 0.000 0.272 81 D C 0.698 177.005 176.300 0.012 0.000 1.337 81 D CA 0.280 54.283 54.000 0.005 0.000 0.970 81 D CB 0.377 41.184 40.800 0.013 0.000 1.092 81 D HN 0.282 nan 8.370 nan 0.000 0.516 82 K N 2.863 123.266 120.400 0.005 0.000 2.525 82 K HA -0.090 4.230 4.320 -0.000 0.000 0.192 82 K C 1.211 177.822 176.600 0.017 0.000 1.029 82 K CA 0.030 56.320 56.287 0.005 0.000 1.029 82 K CB 0.206 32.703 32.500 -0.005 0.000 0.814 82 K HN 0.288 nan 8.250 nan 0.000 0.503 83 N N 1.223 119.937 118.700 0.023 0.000 2.331 83 N HA -0.087 4.652 4.740 -0.000 0.000 0.180 83 N C -0.276 175.266 175.510 0.054 0.000 1.019 83 N CA 0.876 53.946 53.050 0.033 0.000 0.881 83 N CB 0.287 38.789 38.487 0.026 0.000 0.972 83 N HN 0.053 nan 8.380 nan 0.000 0.435 84 D N -0.685 119.752 120.400 0.061 0.000 2.175 84 D HA 0.184 4.824 4.640 -0.000 0.000 0.248 84 D C -0.105 176.250 176.300 0.093 0.000 1.047 84 D CA 0.082 54.138 54.000 0.094 0.000 0.883 84 D CB 1.795 42.660 40.800 0.109 0.000 1.180 84 D HN 0.009 nan 8.370 nan 0.000 0.438 88 F N 5.865 125.411 119.950 -0.674 0.000 2.547 88 F HA 0.622 5.149 4.527 -0.000 0.000 0.316 88 F C -1.605 173.653 175.800 -0.903 0.000 1.121 88 F CA -0.420 57.248 58.000 -0.553 0.000 0.911 88 F CB 1.276 40.338 39.000 0.103 0.000 1.179 88 F HN 0.488 nan 8.300 nan 0.000 0.443 89 D N 4.043 123.471 120.400 -1.620 0.000 2.502 89 D HA 0.618 5.258 4.640 -0.000 0.000 0.249 89 D C -0.634 174.923 176.300 -1.238 0.000 1.092 89 D CA -0.206 53.102 54.000 -1.154 0.000 0.839 89 D CB 2.108 42.568 40.800 -0.566 0.000 1.264 89 D HN 0.705 nan 8.370 nan 0.000 0.511 90 A N 2.523 124.867 122.820 -0.793 0.000 2.603 90 A HA 0.649 4.969 4.320 -0.000 0.000 0.277 90 A C 0.690 178.156 177.584 -0.197 0.000 1.158 90 A CA 0.380 52.151 52.037 -0.444 0.000 0.962 90 A CB 0.167 19.049 19.000 -0.197 0.000 1.189 90 A HN 0.542 nan 8.150 nan 0.000 0.552 91 A N 0.266 122.971 122.820 -0.191 0.000 3.054 91 A HA 0.616 4.936 4.320 -0.000 0.000 0.207 91 A C 0.903 178.404 177.584 -0.137 0.000 1.942 91 A CA 0.487 52.453 52.037 -0.119 0.000 0.878 91 A CB -1.015 17.937 19.000 -0.080 0.000 1.860 91 A HN 0.619 nan 8.150 nan 0.000 0.706 92 T N -0.898 113.575 114.554 -0.134 0.000 2.928 92 T HA 0.247 4.597 4.350 -0.000 0.000 0.305 92 T C 1.070 175.682 174.700 -0.145 0.000 1.035 92 T CA 0.501 62.500 62.100 -0.168 0.000 1.145 92 T CB 0.780 69.555 68.868 -0.156 0.000 0.963 92 T HN 0.759 nan 8.240 nan 0.000 0.545 93 T N 1.343 115.798 114.554 -0.164 0.000 2.867 93 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 93 T C 2.004 176.649 174.700 -0.092 0.000 1.057 93 T CA 1.435 63.464 62.100 -0.119 0.000 1.136 93 T CB -0.349 68.456 68.868 -0.106 0.000 0.874 93 T HN 0.719 nan 8.240 nan 0.000 0.466 94 Q N 0.773 120.512 119.800 -0.102 0.000 2.084 94 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 94 Q C 2.336 178.301 176.000 -0.059 0.000 0.978 94 Q CA 1.735 57.492 55.803 -0.075 0.000 0.844 94 Q CB -0.880 27.809 28.738 -0.081 0.000 0.898 94 Q HN 0.635 nan 8.270 nan 0.000 0.426 95 A N 0.805 123.588 122.820 -0.062 0.000 2.218 95 A HA 0.061 4.380 4.320 -0.000 0.000 0.209 95 A C 2.126 179.693 177.584 -0.029 0.000 1.168 95 A CA 0.520 52.531 52.037 -0.043 0.000 0.804 95 A CB -0.377 18.599 19.000 -0.040 0.000 0.834 95 A HN 0.303 nan 8.150 nan 0.000 0.482 96 R N 0.810 121.288 120.500 -0.038 0.000 2.082 96 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 96 R C -1.002 175.296 176.300 -0.003 0.000 1.136 96 R CA 2.450 58.536 56.100 -0.023 0.000 0.935 96 R CB -1.181 29.082 30.300 -0.063 0.000 0.842 96 R HN 0.370 nan 8.270 nan 0.000 0.430 97 P HA -0.069 nan 4.420 nan 0.000 0.216 97 P C 1.003 178.291 177.300 -0.020 0.000 1.150 97 P CA 1.909 64.999 63.100 -0.018 0.000 0.837 97 P CB -0.311 31.374 31.700 -0.025 0.000 0.786 98 G N -0.416 108.368 108.800 -0.026 0.000 2.402 98 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.216 98 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.216 98 G C 1.363 176.232 174.900 -0.051 0.000 1.162 98 G CA 0.419 45.497 45.100 -0.037 0.000 0.777 98 G HN 0.127 nan 8.290 nan 0.000 0.539 99 L N 0.529 121.731 121.223 -0.034 0.000 2.056 99 L HA 0.106 4.446 4.340 -0.000 0.000 0.207 99 L C 2.924 179.727 176.870 -0.112 0.000 1.078 99 L CA 0.979 55.778 54.840 -0.070 0.000 0.749 99 L CB -0.923 41.172 42.059 0.060 0.000 0.901 99 L HN 0.182 nan 8.230 nan 0.000 0.433 100 L N -1.422 119.831 121.223 0.049 0.000 2.012 100 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 100 L C 2.380 179.243 176.870 -0.012 0.000 1.073 100 L CA 1.642 56.534 54.840 0.087 0.000 0.748 100 L CB -1.047 41.066 42.059 0.089 0.000 0.891 100 L HN 0.262 nan 8.230 nan 0.000 0.431 101 T N -0.903 113.629 114.554 -0.036 0.000 2.720 101 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 101 T C 1.916 176.571 174.700 -0.075 0.000 1.037 101 T CA 1.400 63.471 62.100 -0.048 0.000 1.144 101 T CB -0.189 68.651 68.868 -0.046 0.000 0.864 101 T HN 0.384 nan 8.240 nan 0.000 0.444 102 Q N 0.273 120.003 119.800 -0.116 0.000 2.084 102 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 102 Q C 2.718 178.611 176.000 -0.178 0.000 0.978 102 Q CA 1.421 57.136 55.803 -0.147 0.000 0.844 102 Q CB -0.264 28.367 28.738 -0.177 0.000 0.898 102 Q HN 0.567 nan 8.270 nan 0.000 0.426 103 A N 0.638 123.301 122.820 -0.261 0.000 1.897 103 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 103 A C 2.005 179.548 177.584 -0.067 0.000 1.181 103 A CA 0.870 52.764 52.037 -0.240 0.000 0.620 103 A CB -0.490 18.268 19.000 -0.404 0.000 0.821 103 A HN 0.266 nan 8.150 nan 0.000 0.443 104 I N 0.310 120.866 120.570 -0.024 0.000 2.142 104 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 104 I C 2.124 178.230 176.117 -0.017 0.000 1.078 104 I CA 1.290 62.596 61.300 0.010 0.000 1.343 104 I CB -0.499 37.512 38.000 0.019 0.000 1.046 104 I HN 0.276 nan 8.210 nan 0.000 0.405 105 N N 1.208 119.886 118.700 -0.036 0.000 2.137 105 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 105 N C 1.641 177.126 175.510 -0.041 0.000 1.017 105 N CA 1.717 54.744 53.050 -0.037 0.000 0.859 105 N CB -0.415 38.045 38.487 -0.045 0.000 1.002 105 N HN 0.385 nan 8.380 nan 0.000 0.428 106 A N -0.283 122.504 122.820 -0.054 0.000 2.259 106 A HA 0.394 4.714 4.320 -0.000 0.000 0.208 106 A C 1.468 179.022 177.584 -0.051 0.000 1.201 106 A CA 0.810 52.815 52.037 -0.054 0.000 0.824 106 A CB -0.499 18.461 19.000 -0.068 0.000 0.838 106 A HN 0.362 nan 8.150 nan 0.000 0.485 107 G N -0.642 108.128 108.800 -0.051 0.000 2.143 107 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.249 107 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.249 107 G C 0.107 174.931 174.900 -0.128 0.000 0.981 107 G CA 0.317 45.372 45.100 -0.075 0.000 0.665 107 G HN 0.438 nan 8.290 nan 0.000 0.528 108 K N 1.110 121.470 120.400 -0.067 0.000 2.218 108 K HA 0.326 4.646 4.320 -0.000 0.000 0.276 108 K C 0.492 177.097 176.600 0.010 0.000 1.022 108 K CA -0.551 55.716 56.287 -0.033 0.000 0.946 108 K CB 0.533 33.089 32.500 0.094 0.000 1.000 108 K HN 0.430 nan 8.250 nan 0.000 0.468 109 H N 0.443 119.626 119.070 0.187 0.000 2.690 109 H HA 0.158 4.714 4.556 -0.000 0.000 0.365 109 H C -0.282 175.286 175.328 0.400 0.000 1.142 109 H CA -0.209 55.998 56.048 0.264 0.000 1.417 109 H CB 1.019 30.890 29.762 0.183 0.000 1.446 109 H HN 0.078 nan 8.280 nan 0.000 0.599 110 V N 3.955 124.231 119.914 0.604 0.000 2.569 110 V HA 0.158 4.278 4.120 -0.000 0.000 0.301 110 V C -1.409 174.848 176.094 0.271 0.000 1.044 110 V CA -0.609 61.963 62.300 0.454 0.000 0.874 110 V CB 1.659 33.712 31.823 0.384 0.000 1.002 110 V HN 0.621 nan 8.190 nan 0.000 0.424 111 Y N 5.953 126.225 120.300 -0.047 0.000 2.446 111 Y HA 0.798 5.348 4.550 -0.000 0.000 0.345 111 Y C -0.152 175.647 175.900 -0.169 0.000 0.984 111 Y CA -1.144 56.754 58.100 -0.337 0.000 1.058 111 Y CB 1.846 39.939 38.460 -0.611 0.000 1.220 111 Y HN 0.895 nan 8.280 nan 0.000 0.455 112 C N 4.155 123.064 119.300 -0.652 0.000 3.171 112 C HA 0.559 5.019 4.460 -0.000 0.000 0.336 112 C C -0.600 174.047 174.990 -0.571 0.000 1.198 112 C CA -1.018 57.608 59.018 -0.653 0.000 1.319 112 C CB 1.440 28.925 27.740 -0.425 0.000 1.682 112 C HN 0.850 nan 8.230 nan 0.000 0.497 113 E N 1.222 121.126 120.200 -0.494 0.000 2.451 113 E HA 0.414 4.764 4.350 -0.000 0.000 0.256 113 E C 0.454 176.958 176.600 -0.160 0.000 1.294 113 E CA 0.302 56.568 56.400 -0.223 0.000 1.005 113 E CB 0.475 30.104 29.700 -0.119 0.000 0.990 113 E HN 0.999 nan 8.360 nan 0.000 0.505 114 K N 1.534 121.898 120.400 -0.059 0.000 2.143 114 K HA 0.447 4.767 4.320 -0.000 0.000 0.272 114 K C -2.337 174.239 176.600 -0.040 0.000 1.001 114 K CA -1.411 54.837 56.287 -0.065 0.000 0.915 114 K CB 0.002 32.450 32.500 -0.086 0.000 1.047 114 K HN 0.229 nan 8.250 nan 0.000 0.458 115 P HA 0.407 nan 4.420 nan 0.000 0.281 115 P C 0.951 178.214 177.300 -0.061 0.000 1.281 115 P CA -0.800 62.267 63.100 -0.056 0.000 0.811 115 P CB 0.495 32.175 31.700 -0.032 0.000 1.154 116 I N -2.674 117.870 120.570 -0.044 0.000 2.439 116 I HA 0.269 4.439 4.170 -0.000 0.000 0.251 116 I C 0.626 176.727 176.117 -0.028 0.000 1.139 116 I CA 0.839 62.114 61.300 -0.043 0.000 1.438 116 I CB -0.260 37.728 38.000 -0.021 0.000 1.085 116 I HN 0.197 nan 8.210 nan 0.000 0.427 117 A N 0.062 122.877 122.820 -0.009 0.000 2.581 117 A HA 0.541 4.861 4.320 -0.000 0.000 0.290 117 A C 0.439 178.026 177.584 0.006 0.000 1.119 117 A CA -0.086 51.947 52.037 -0.006 0.000 0.670 117 A CB 0.832 19.834 19.000 0.004 0.000 1.280 117 A HN 0.023 nan 8.150 nan 0.000 0.425 118 T N 1.436 115.991 114.554 0.002 0.000 3.067 118 T HA 0.099 4.449 4.350 -0.000 0.000 0.261 118 T C 0.507 175.227 174.700 0.034 0.000 1.110 118 T CA 1.215 63.320 62.100 0.009 0.000 1.113 118 T CB -0.461 68.404 68.868 -0.005 0.000 0.917 118 T HN 0.800 nan 8.240 nan 0.000 0.499 119 N N -0.805 117.925 118.700 0.049 0.000 2.825 119 N HA 0.130 4.870 4.740 -0.000 0.000 0.253 119 N C -0.029 175.567 175.510 0.143 0.000 1.426 119 N CA -0.702 52.401 53.050 0.088 0.000 0.851 119 N CB 0.757 39.282 38.487 0.063 0.000 1.470 119 N HN -0.109 nan 8.380 nan 0.000 0.517 120 F N 1.394 121.348 119.950 0.007 0.000 2.259 120 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 120 F C 2.051 177.855 175.800 0.006 0.000 1.088 120 F CA 1.429 59.436 58.000 0.010 0.000 1.358 120 F CB -0.107 38.904 39.000 0.020 0.000 1.040 120 F HN 0.583 nan 8.300 nan 0.000 0.505 121 E N 0.246 120.388 120.200 -0.096 0.000 2.077 121 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 121 E C 1.998 178.499 176.600 -0.164 0.000 0.989 121 E CA 1.527 57.801 56.400 -0.209 0.000 0.800 121 E CB -1.002 28.642 29.700 -0.094 0.000 0.746 121 E HN 0.610 nan 8.360 nan 0.000 0.452 122 E N 0.969 121.122 120.200 -0.079 0.000 2.106 122 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 122 E C 2.049 178.611 176.600 -0.064 0.000 0.984 122 E CA 0.969 57.333 56.400 -0.059 0.000 0.806 122 E CB -0.016 29.667 29.700 -0.029 0.000 0.750 122 E HN 0.289 nan 8.360 nan 0.000 0.458 123 A N 0.692 123.482 122.820 -0.048 0.000 1.897 123 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 123 A C 2.057 179.602 177.584 -0.065 0.000 1.181 123 A CA 0.824 52.850 52.037 -0.018 0.000 0.620 123 A CB -0.546 18.501 19.000 0.078 0.000 0.821 123 A HN 0.322 nan 8.150 nan 0.000 0.443 124 L N 0.225 121.339 121.223 -0.181 0.000 2.083 124 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 124 L C 2.238 179.023 176.870 -0.142 0.000 1.083 124 L CA 2.417 57.125 54.840 -0.220 0.000 0.752 124 L CB -0.735 41.026 42.059 -0.496 0.000 0.899 124 L HN 0.606 nan 8.230 nan 0.000 0.433 125 E N -1.128 118.991 120.200 -0.135 0.000 2.070 125 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 125 E C 2.064 178.619 176.600 -0.076 0.000 1.004 125 E CA 1.962 58.306 56.400 -0.093 0.000 0.805 125 E CB -0.002 29.649 29.700 -0.081 0.000 0.744 125 E HN 0.400 nan 8.360 nan 0.000 0.451 126 V N 0.239 120.108 119.914 -0.075 0.000 2.358 126 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 126 V C 2.380 178.404 176.094 -0.117 0.000 1.047 126 V CA 1.324 63.579 62.300 -0.075 0.000 1.035 126 V CB -0.371 31.417 31.823 -0.057 0.000 0.658 126 V HN 0.182 nan 8.190 nan 0.000 0.452 127 V N -0.072 119.770 119.914 -0.120 0.000 2.343 127 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 127 V C 2.483 178.503 176.094 -0.123 0.000 1.051 127 V CA 2.010 64.210 62.300 -0.168 0.000 1.036 127 V CB -0.763 31.027 31.823 -0.055 0.000 0.654 127 V HN 0.536 nan 8.190 nan 0.000 0.451 128 K N -0.422 119.937 120.400 -0.068 0.000 2.025 128 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 128 K C 2.153 178.736 176.600 -0.029 0.000 1.049 128 K CA 1.369 57.636 56.287 -0.033 0.000 0.933 128 K CB -0.430 32.049 32.500 -0.034 0.000 0.714 128 K HN 0.279 nan 8.250 nan 0.000 0.438 129 L N 1.324 122.519 121.223 -0.045 0.000 2.012 129 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 129 L C 2.234 179.093 176.870 -0.018 0.000 1.073 129 L CA 1.898 56.719 54.840 -0.031 0.000 0.748 129 L CB -0.606 41.431 42.059 -0.038 0.000 0.891 129 L HN 0.136 nan 8.230 nan 0.000 0.431 130 A N -0.820 121.964 122.820 -0.060 0.000 1.930 130 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 130 A C 2.089 179.738 177.584 0.110 0.000 1.175 130 A CA 1.707 53.732 52.037 -0.021 0.000 0.627 130 A CB -0.695 18.140 19.000 -0.275 0.000 0.815 130 A HN 0.591 nan 8.150 nan 0.000 0.443 131 N N -0.191 118.559 118.700 0.083 0.000 2.142 131 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 131 N C 2.056 177.622 175.510 0.093 0.000 1.023 131 N CA 1.439 54.580 53.050 0.152 0.000 0.852 131 N CB -0.496 38.070 38.487 0.131 0.000 0.998 131 N HN 0.437 nan 8.380 nan 0.000 0.424 132 S N 0.722 116.453 115.700 0.052 0.000 2.365 132 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 132 S C 1.687 176.310 174.600 0.038 0.000 1.039 132 S CA 1.169 59.389 58.200 0.035 0.000 1.033 132 S CB 0.028 63.237 63.200 0.015 0.000 0.887 132 S HN 0.162 nan 8.310 nan 0.000 0.447 133 K N -0.011 120.415 120.400 0.043 0.000 2.217 133 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 133 K C 1.598 178.230 176.600 0.054 0.000 1.051 133 K CA 0.869 57.180 56.287 0.039 0.000 0.952 133 K CB -0.686 31.834 32.500 0.033 0.000 0.736 133 K HN 0.584 nan 8.250 nan 0.000 0.453 134 G N 1.601 110.454 108.800 0.088 0.000 2.141 134 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 134 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 134 G C 0.304 175.276 174.900 0.119 0.000 0.982 134 G CA 0.363 45.519 45.100 0.092 0.000 0.662 134 G HN 0.240 nan 8.290 nan 0.000 0.527 135 V N -2.432 117.581 119.914 0.165 0.000 3.003 135 V HA 0.744 4.864 4.120 -0.000 0.000 0.305 135 V C 0.485 176.783 176.094 0.340 0.000 1.078 135 V CA -1.257 61.193 62.300 0.250 0.000 1.083 135 V CB 1.355 33.291 31.823 0.188 0.000 1.039 135 V HN 0.166 nan 8.190 nan 0.000 0.481 136 K N 2.971 123.609 120.400 0.396 0.000 2.234 136 K HA 0.419 4.739 4.320 -0.000 0.000 0.282 136 K C -0.517 176.358 176.600 0.459 0.000 1.039 136 K CA 0.059 56.438 56.287 0.153 0.000 0.928 136 K CB 0.866 33.132 32.500 -0.390 0.000 1.039 136 K HN 1.206 nan 8.250 nan 0.000 0.470 137 H N -1.849 117.529 119.070 0.513 0.000 2.806 137 H HA 0.764 5.320 4.556 -0.000 0.000 0.367 137 H C -0.258 175.335 175.328 0.442 0.000 1.136 137 H CA -1.139 55.179 56.048 0.450 0.000 1.178 137 H CB 1.995 31.924 29.762 0.278 0.000 1.718 137 H HN 0.663 nan 8.280 nan 0.000 0.540 138 G N 0.120 109.062 108.800 0.236 0.000 2.718 138 G HA2 0.485 4.445 3.960 -0.000 0.000 0.295 138 G HA3 0.485 4.445 3.960 -0.000 0.000 0.295 138 G C -1.496 173.400 174.900 -0.007 0.000 1.421 138 G CA -0.743 44.480 45.100 0.205 0.000 0.902 138 G HN 0.752 nan 8.290 nan 0.000 0.501 139 T N -0.259 114.301 114.554 0.010 0.000 2.900 139 T HA 0.519 4.869 4.350 -0.000 0.000 0.295 139 T C -0.163 174.371 174.700 -0.276 0.000 1.044 139 T CA -0.330 61.620 62.100 -0.250 0.000 0.995 139 T CB 1.592 70.389 68.868 -0.118 0.000 1.072 139 T HN 0.533 nan 8.240 nan 0.000 0.473 140 V N 5.364 125.034 119.914 -0.406 0.000 2.599 140 V HA 0.220 4.340 4.120 -0.000 0.000 0.300 140 V C 0.348 176.285 176.094 -0.263 0.000 1.034 140 V CA 0.480 62.639 62.300 -0.235 0.000 1.115 140 V CB 0.981 32.806 31.823 0.002 0.000 0.934 140 V HN 0.807 nan 8.190 nan 0.000 0.485 141 Q N 3.392 122.944 119.800 -0.412 0.000 2.928 141 Q HA 0.146 4.486 4.340 -0.000 0.000 0.353 141 Q C 0.642 176.376 176.000 -0.443 0.000 0.870 141 Q CA -0.268 55.030 55.803 -0.842 0.000 0.963 141 Q CB 0.757 28.700 28.738 -1.326 0.000 1.419 141 Q HN 1.004 nan 8.270 nan 0.000 0.396 142 D N 0.132 120.420 120.400 -0.188 0.000 2.144 142 D HA -0.195 4.445 4.640 -0.000 0.000 0.199 142 D C 0.996 177.303 176.300 0.012 0.000 0.984 142 D CA 0.878 54.694 54.000 -0.307 0.000 0.834 142 D CB 0.395 40.757 40.800 -0.730 0.000 0.955 142 D HN 0.040 nan 8.370 nan 0.000 0.465 143 K N -0.106 120.433 120.400 0.231 0.000 2.209 143 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 143 K C 1.901 178.623 176.600 0.204 0.000 1.048 143 K CA 0.120 56.542 56.287 0.226 0.000 0.940 143 K CB -0.293 32.340 32.500 0.222 0.000 0.729 143 K HN 0.057 nan 8.250 nan 0.000 0.451 144 L N -0.616 120.730 121.223 0.205 0.000 2.376 144 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 144 L C 0.798 177.516 176.870 -0.253 0.000 1.133 144 L CA 1.439 56.244 54.840 -0.058 0.000 0.816 144 L CB -0.221 41.667 42.059 -0.285 0.000 0.933 144 L HN 0.104 nan 8.230 nan 0.000 0.449 145 F N -1.546 118.353 119.950 -0.085 0.000 2.695 145 F HA 0.188 4.715 4.527 -0.000 0.000 0.303 145 F C 0.906 176.679 175.800 -0.046 0.000 1.091 145 F CA -0.601 57.364 58.000 -0.059 0.000 1.300 145 F CB -0.313 38.629 39.000 -0.098 0.000 1.071 145 F HN -0.236 nan 8.300 nan 0.000 0.578 146 L N 2.722 123.999 121.223 0.090 0.000 2.559 146 L HA -0.013 4.327 4.340 -0.000 0.000 0.274 146 L C -1.146 175.671 176.870 -0.087 0.000 1.205 146 L CA -1.189 53.667 54.840 0.027 0.000 0.907 146 L CB 0.330 42.427 42.059 0.064 0.000 1.153 146 L HN -0.093 nan 8.230 nan 0.000 0.490 147 P HA -0.165 nan 4.420 nan 0.000 0.217 147 P C 1.457 178.561 177.300 -0.328 0.000 1.148 147 P CA 1.324 64.034 63.100 -0.650 0.000 0.828 147 P CB 0.200 31.285 31.700 -1.025 0.000 0.783 148 G N -0.041 108.675 108.800 -0.140 0.000 2.459 148 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.217 148 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.217 148 G C 1.442 176.363 174.900 0.035 0.000 1.183 148 G CA 0.618 45.708 45.100 -0.017 0.000 0.776 148 G HN 0.244 nan 8.290 nan 0.000 0.552 149 L N -0.295 120.949 121.223 0.034 0.000 2.217 149 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 149 L C 2.858 179.724 176.870 -0.007 0.000 1.107 149 L CA 0.778 55.630 54.840 0.020 0.000 0.783 149 L CB -0.275 41.784 42.059 -0.001 0.000 0.919 149 L HN 0.166 nan 8.230 nan 0.000 0.442 150 K N 0.667 121.055 120.400 -0.019 0.000 2.032 150 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 150 K C 2.123 178.793 176.600 0.116 0.000 1.048 150 K CA 1.593 57.900 56.287 0.033 0.000 0.927 150 K CB -0.001 32.551 32.500 0.086 0.000 0.712 150 K HN 0.243 nan 8.250 nan 0.000 0.441 151 K N 0.324 120.790 120.400 0.111 0.000 2.097 151 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 151 K C 1.976 178.712 176.600 0.226 0.000 1.049 151 K CA 1.028 57.431 56.287 0.193 0.000 0.933 151 K CB -0.117 32.462 32.500 0.132 0.000 0.717 151 K HN 0.058 nan 8.250 nan 0.000 0.442 152 I N 1.676 122.355 120.570 0.182 0.000 2.151 152 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 152 I C 2.549 178.792 176.117 0.211 0.000 1.080 152 I CA 1.571 63.017 61.300 0.244 0.000 1.339 152 I CB -1.458 36.649 38.000 0.179 0.000 1.039 152 I HN 0.143 nan 8.210 nan 0.000 0.409 153 A N 0.725 123.609 122.820 0.107 0.000 1.877 153 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 153 A C 2.314 179.984 177.584 0.144 0.000 1.186 153 A CA 1.641 53.722 52.037 0.075 0.000 0.620 153 A CB -1.185 17.827 19.000 0.021 0.000 0.822 153 A HN 0.401 nan 8.150 nan 0.000 0.443 154 F N 0.846 120.820 119.950 0.039 0.000 2.065 154 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 154 F C 1.901 177.713 175.800 0.021 0.000 1.112 154 F CA 1.981 59.998 58.000 0.028 0.000 1.212 154 F CB -0.524 38.491 39.000 0.024 0.000 0.975 154 F HN 0.161 nan 8.300 nan 0.000 0.476 155 L N 0.154 121.278 121.223 -0.165 0.000 1.989 155 L HA -0.265 4.075 4.340 -0.000 0.000 0.211 155 L C 2.795 179.551 176.870 -0.190 0.000 1.071 155 L CA 2.013 56.621 54.840 -0.388 0.000 0.749 155 L CB -0.835 40.982 42.059 -0.404 0.000 0.890 155 L HN 0.179 nan 8.230 nan 0.000 0.431 156 R N 0.274 120.885 120.500 0.185 0.000 2.096 156 R HA -0.220 4.120 4.340 -0.000 0.000 0.240 156 R C 1.890 178.238 176.300 0.079 0.000 1.139 156 R CA 2.235 58.516 56.100 0.301 0.000 0.952 156 R CB -0.279 30.177 30.300 0.260 0.000 0.854 156 R HN 0.342 nan 8.270 nan 0.000 0.436 157 D N -0.112 120.285 120.400 -0.005 0.000 2.178 157 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 157 D C 1.674 177.921 176.300 -0.088 0.000 0.974 157 D CA 1.726 55.709 54.000 -0.027 0.000 0.841 157 D CB -0.026 40.777 40.800 0.004 0.000 0.953 157 D HN 0.412 nan 8.370 nan 0.000 0.478 158 S N -1.076 114.488 115.700 -0.226 0.000 2.575 158 S HA 0.318 4.788 4.470 -0.000 0.000 0.215 158 S C 1.657 176.161 174.600 -0.160 0.000 0.966 158 S CA 0.407 58.455 58.200 -0.252 0.000 0.911 158 S CB 0.558 63.446 63.200 -0.520 0.000 0.780 158 S HN 0.282 nan 8.310 nan 0.000 0.514 159 G N 1.095 109.834 108.800 -0.102 0.000 2.143 159 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.249 159 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.249 159 G C 0.277 175.113 174.900 -0.108 0.000 0.981 159 G CA 0.215 45.270 45.100 -0.074 0.000 0.665 159 G HN 0.531 nan 8.290 nan 0.000 0.528 160 F N 0.733 120.504 119.950 -0.298 0.000 2.091 160 F HA 0.019 4.545 4.527 -0.000 0.000 0.299 160 F C 2.185 177.836 175.800 -0.249 0.000 1.103 160 F CA 2.476 60.260 58.000 -0.361 0.000 1.228 160 F CB -0.291 38.359 39.000 -0.583 0.000 0.984 160 F HN 0.166 nan 8.300 nan 0.000 0.477 161 F N 0.381 120.318 119.950 -0.021 0.000 2.502 161 F HA 0.185 4.712 4.527 -0.000 0.000 0.298 161 F C 2.205 177.980 175.800 -0.042 0.000 1.111 161 F CA 0.885 58.854 58.000 -0.052 0.000 1.445 161 F CB -1.016 38.054 39.000 0.116 0.000 1.081 161 F HN 0.271 nan 8.300 nan 0.000 0.558 162 G N 0.431 109.269 108.800 0.063 0.000 3.274 162 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.313 162 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.313 162 G C 0.551 175.536 174.900 0.142 0.000 1.295 162 G CA 0.318 45.458 45.100 0.067 0.000 1.004 162 G HN 0.475 nan 8.290 nan 0.000 0.614 163 R N 0.666 121.275 120.500 0.181 0.000 2.439 163 R HA 0.628 4.968 4.340 -0.000 0.000 0.310 163 R C 0.289 176.650 176.300 0.102 0.000 0.955 163 R CA -0.926 55.246 56.100 0.119 0.000 0.853 163 R CB 0.539 30.889 30.300 0.083 0.000 1.171 163 R HN 0.465 nan 8.270 nan 0.000 0.449 164 I N 6.336 126.949 120.570 0.071 0.000 2.710 164 I HA -0.102 4.068 4.170 -0.000 0.000 0.286 164 I C 0.836 176.932 176.117 -0.034 0.000 1.181 164 I CA 0.355 61.635 61.300 -0.033 0.000 1.430 164 I CB 0.739 38.685 38.000 -0.089 0.000 1.367 164 I HN 0.739 nan 8.210 nan 0.000 0.577 165 L N 4.355 125.541 121.223 -0.062 0.000 2.588 165 L HA 0.176 4.516 4.340 -0.000 0.000 0.194 165 L C 0.614 177.441 176.870 -0.073 0.000 1.070 165 L CA 0.276 55.089 54.840 -0.046 0.000 0.852 165 L CB 0.105 42.149 42.059 -0.024 0.000 1.199 165 L HN 0.744 nan 8.230 nan 0.000 0.486 166 S N -0.755 114.884 115.700 -0.103 0.000 2.564 166 S HA 0.746 5.216 4.470 -0.000 0.000 0.274 166 S C -1.019 173.461 174.600 -0.200 0.000 1.124 166 S CA -0.621 57.510 58.200 -0.115 0.000 0.869 166 S CB 2.616 65.784 63.200 -0.053 0.000 1.105 166 S HN -0.151 nan 8.310 nan 0.000 0.472 167 V N 1.821 121.599 119.914 -0.227 0.000 2.638 167 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 167 V C -0.515 175.520 176.094 -0.099 0.000 1.052 167 V CA -0.644 61.472 62.300 -0.306 0.000 0.885 167 V CB 1.851 33.242 31.823 -0.720 0.000 0.999 167 V HN 0.940 nan 8.190 nan 0.000 0.424 168 R N 2.307 122.791 120.500 -0.028 0.000 2.439 168 R HA 0.696 5.035 4.340 -0.000 0.000 0.310 168 R C 0.027 176.295 176.300 -0.053 0.000 0.955 168 R CA -0.313 55.789 56.100 0.003 0.000 0.853 168 R CB 2.077 32.378 30.300 0.001 0.000 1.171 168 R HN 0.919 nan 8.270 nan 0.000 0.449 169 G N 1.848 110.538 108.800 -0.183 0.000 2.461 169 G HA2 0.402 4.362 3.960 -0.000 0.000 0.323 169 G HA3 0.402 4.362 3.960 -0.000 0.000 0.323 169 G C -0.848 173.802 174.900 -0.417 0.000 1.229 169 G CA -0.326 44.414 45.100 -0.599 0.000 0.941 169 G HN 0.370 nan 8.290 nan 0.000 0.477 170 E N 1.430 121.382 120.200 -0.414 0.000 2.279 170 E HA 0.273 4.623 4.350 -0.000 0.000 0.252 170 E C -1.772 174.721 176.600 -0.179 0.000 0.894 170 E CA -0.531 55.740 56.400 -0.216 0.000 0.785 170 E CB 2.383 32.005 29.700 -0.131 0.000 1.237 170 E HN 0.385 nan 8.360 nan 0.000 0.418 171 F N 1.858 121.645 119.950 -0.273 0.000 2.520 171 F HA 0.690 5.217 4.527 -0.000 0.000 0.322 171 F C 0.423 176.109 175.800 -0.190 0.000 1.103 171 F CA 0.299 58.190 58.000 -0.181 0.000 0.926 171 F CB 1.458 40.425 39.000 -0.054 0.000 1.154 171 F HN 0.581 nan 8.300 nan 0.000 0.453 172 G N 3.557 111.553 108.800 -1.340 0.000 2.331 172 G HA2 0.274 4.234 3.960 -0.000 0.000 0.479 172 G HA3 0.274 4.234 3.960 -0.000 0.000 0.479 172 G C -1.924 172.800 174.900 -0.293 0.000 1.262 172 G CA -0.259 44.143 45.100 -1.164 0.000 1.029 172 G HN 1.830 nan 8.290 nan 0.000 0.487 173 Y N -4.428 115.744 120.300 -0.214 0.000 2.810 173 Y HA 0.586 5.136 4.550 -0.000 0.000 0.355 173 Y C -1.284 174.652 175.900 0.061 0.000 1.211 173 Y CA -1.819 56.264 58.100 -0.027 0.000 1.112 173 Y CB 0.532 38.986 38.460 -0.010 0.000 1.383 173 Y HN 1.150 nan 8.280 nan 0.000 0.458 174 W N 4.057 125.387 121.300 0.051 0.000 2.437 174 W HA 0.575 5.235 4.660 -0.000 0.000 0.312 174 W C -1.289 175.056 176.519 -0.291 0.000 1.242 174 W CA -0.615 56.634 57.345 -0.160 0.000 1.340 174 W CB 1.301 30.609 29.460 -0.253 0.000 1.327 174 W HN 0.493 nan 8.180 nan 0.000 0.476 175 V N 8.719 128.378 119.914 -0.424 0.000 2.385 175 V HA 0.042 4.162 4.120 -0.000 0.000 0.269 175 V C 0.327 176.270 176.094 -0.252 0.000 1.043 175 V CA -0.587 61.535 62.300 -0.296 0.000 0.906 175 V CB -0.110 31.495 31.823 -0.364 0.000 0.995 175 V HN 0.189 nan 8.190 nan 0.000 0.467 176 F N 3.195 123.273 119.950 0.213 0.000 2.607 176 F HA 0.074 4.600 4.527 -0.000 0.000 0.374 176 F C 1.505 177.362 175.800 0.096 0.000 1.104 176 F CA 0.024 58.189 58.000 0.276 0.000 1.296 176 F CB 0.354 39.490 39.000 0.226 0.000 1.085 176 F HN 0.560 nan 8.300 nan 0.000 0.584 177 E N 1.159 121.571 120.200 0.353 0.000 2.347 177 E HA 0.102 4.452 4.350 -0.000 0.000 0.196 177 E C 1.899 178.591 176.600 0.153 0.000 1.008 177 E CA 1.016 57.498 56.400 0.137 0.000 0.852 177 E CB -0.090 29.706 29.700 0.160 0.000 0.783 177 E HN 0.945 nan 8.360 nan 0.000 0.505 178 G N -0.709 108.169 108.800 0.131 0.000 2.307 178 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.210 178 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.210 178 G C 1.238 175.880 174.900 -0.431 0.000 1.005 178 G CA 0.091 45.209 45.100 0.029 0.000 0.634 178 G HN 0.456 nan 8.290 nan 0.000 0.496 179 G N -0.157 108.188 108.800 -0.758 0.000 2.586 179 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 179 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 179 G C 1.453 175.727 174.900 -1.044 0.000 1.216 179 G CA 1.876 46.121 45.100 -1.424 0.000 0.786 179 G HN 0.570 nan 8.290 nan 0.000 0.583 180 W N -0.220 120.937 121.300 -0.238 0.000 2.940 180 W HA 0.391 5.051 4.660 0.000 0.000 0.297 180 W C 0.822 177.212 176.519 -0.215 0.000 1.149 180 W CA -0.286 56.936 57.345 -0.205 0.000 1.564 180 W CB 0.356 29.717 29.460 -0.166 0.000 1.010 180 W HN 0.230 nan 8.180 nan 0.000 0.578 181 Q N 0.529 120.296 119.800 -0.056 0.000 2.397 181 Q HA 0.257 4.597 4.340 -0.000 0.000 0.275 181 Q C -0.770 175.198 176.000 -0.054 0.000 1.090 181 Q CA -0.651 55.050 55.803 -0.170 0.000 0.809 181 Q CB 3.094 31.473 28.738 -0.599 0.000 1.362 181 Q HN -0.119 nan 8.270 nan 0.000 0.431 182 E N 0.845 121.035 120.200 -0.017 0.000 2.384 182 E HA 0.267 4.617 4.350 -0.000 0.000 0.266 182 E C -0.732 175.964 176.600 0.161 0.000 1.012 182 E CA -0.234 56.202 56.400 0.060 0.000 0.901 182 E CB 0.798 30.530 29.700 0.052 0.000 0.967 182 E HN 0.604 nan 8.360 nan 0.000 0.435 183 A N 3.800 126.724 122.820 0.173 0.000 2.477 183 A HA -0.028 4.292 4.320 -0.000 0.000 0.246 183 A C 0.611 178.298 177.584 0.172 0.000 1.078 183 A CA -0.086 52.070 52.037 0.199 0.000 0.770 183 A CB 0.440 19.522 19.000 0.137 0.000 1.011 183 A HN 0.787 nan 8.150 nan 0.000 0.494 184 Q N 0.396 120.311 119.800 0.191 0.000 2.364 184 Q HA -0.027 4.313 4.340 -0.000 0.000 0.207 184 Q C 0.361 176.402 176.000 0.068 0.000 0.970 184 Q CA 1.258 57.154 55.803 0.156 0.000 0.888 184 Q CB 0.039 28.914 28.738 0.227 0.000 0.951 184 Q HN 0.671 nan 8.270 nan 0.000 0.469 185 R N 0.057 120.566 120.500 0.015 0.000 2.686 185 R HA 0.402 4.742 4.340 -0.000 0.000 0.283 185 R C -2.681 173.582 176.300 -0.062 0.000 0.978 185 R CA -2.245 53.798 56.100 -0.095 0.000 0.897 185 R CB 1.360 31.479 30.300 -0.302 0.000 1.192 185 R HN -0.116 nan 8.270 nan 0.000 0.457 186 P HA -0.060 nan 4.420 nan 0.000 0.266 186 P C 0.491 177.657 177.300 -0.224 0.000 1.195 186 P CA 0.199 63.226 63.100 -0.121 0.000 0.768 186 P CB 0.724 32.361 31.700 -0.105 0.000 0.838 187 S N 2.256 117.932 115.700 -0.039 0.000 2.489 187 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 187 S C 1.649 176.165 174.600 -0.141 0.000 0.995 187 S CA -0.100 58.100 58.200 0.001 0.000 0.934 187 S CB -1.003 62.151 63.200 -0.077 0.000 0.771 187 S HN 0.725 nan 8.310 nan 0.000 0.522 188 W N 2.567 123.779 121.300 -0.146 0.000 2.387 188 W HA -0.040 4.620 4.660 -0.000 0.000 0.272 188 W C 0.976 177.379 176.519 -0.193 0.000 1.224 188 W CA 0.586 57.836 57.345 -0.157 0.000 1.210 188 W CB -1.115 28.275 29.460 -0.117 0.000 1.125 188 W HN 0.259 nan 8.180 nan 0.000 0.572 189 N N 0.722 118.799 118.700 -1.038 0.000 2.381 189 N HA -0.163 4.577 4.740 -0.000 0.000 0.182 189 N C 0.384 175.361 175.510 -0.888 0.000 1.025 189 N CA 1.259 53.575 53.050 -1.225 0.000 0.888 189 N CB -0.539 36.974 38.487 -1.624 0.000 0.965 189 N HN 0.303 nan 8.380 nan 0.000 0.438 190 Y N 0.178 120.408 120.300 -0.117 0.000 2.571 190 Y HA 0.323 4.873 4.550 -0.000 0.000 0.275 190 Y C 0.191 176.155 175.900 0.108 0.000 1.179 190 Y CA -0.178 57.947 58.100 0.043 0.000 1.242 190 Y CB 0.346 38.881 38.460 0.125 0.000 1.126 190 Y HN -0.286 nan 8.280 nan 0.000 0.524 191 R N 0.645 121.200 120.500 0.093 0.000 2.371 191 R HA 0.109 4.449 4.340 -0.000 0.000 0.312 191 R C 0.175 176.537 176.300 0.104 0.000 0.980 191 R CA -0.323 55.837 56.100 0.100 0.000 0.867 191 R CB 1.199 31.517 30.300 0.031 0.000 1.163 191 R HN 0.065 nan 8.270 nan 0.000 0.492 192 D N 2.940 123.404 120.400 0.107 0.000 2.116 192 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 192 D C 1.500 177.846 176.300 0.076 0.000 0.998 192 D CA 1.672 55.730 54.000 0.096 0.000 0.836 192 D CB 0.528 41.380 40.800 0.086 0.000 0.951 192 D HN 0.648 nan 8.370 nan 0.000 0.449 193 E N -0.239 119.996 120.200 0.058 0.000 2.463 193 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 193 E C -0.000 176.621 176.600 0.035 0.000 1.045 193 E CA 0.852 57.274 56.400 0.037 0.000 0.872 193 E CB -0.196 29.519 29.700 0.025 0.000 0.797 193 E HN 0.294 nan 8.360 nan 0.000 0.538 194 D N 0.082 120.521 120.400 0.065 0.000 2.670 194 D HA 0.237 4.877 4.640 -0.000 0.000 0.255 194 D C 0.800 177.173 176.300 0.122 0.000 1.286 194 D CA 0.327 54.365 54.000 0.064 0.000 0.830 194 D CB 0.523 41.374 40.800 0.087 0.000 1.065 194 D HN 0.303 nan 8.370 nan 0.000 0.486 195 G N 0.474 109.340 108.800 0.110 0.000 2.189 195 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 195 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 195 G C 0.919 175.992 174.900 0.288 0.000 0.975 195 G CA 0.125 45.315 45.100 0.149 0.000 0.644 195 G HN 0.612 nan 8.290 nan 0.000 0.537 196 G N -0.486 108.495 108.800 0.301 0.000 2.720 196 G HA2 0.622 4.582 3.960 -0.000 0.000 0.237 196 G HA3 0.622 4.582 3.960 -0.000 0.000 0.237 196 G C 0.760 175.718 174.900 0.097 0.000 1.239 196 G CA 1.097 46.283 45.100 0.144 0.000 0.847 196 G HN 2.044 nan 8.290 nan 0.000 0.593 197 G N -0.416 108.401 108.800 0.028 0.000 2.957 197 G HA2 0.028 3.988 3.960 -0.000 0.000 0.636 197 G HA3 0.028 3.988 3.960 -0.000 0.000 0.636 197 G C 0.471 175.425 174.900 0.089 0.000 1.401 197 G CA -0.040 45.117 45.100 0.095 0.000 0.941 197 G HN 0.955 nan 8.290 nan 0.000 0.610 198 I N 1.905 122.535 120.570 0.101 0.000 2.439 198 I HA -0.004 4.166 4.170 -0.000 0.000 0.251 198 I C 2.484 178.589 176.117 -0.020 0.000 1.139 198 I CA 0.794 62.127 61.300 0.056 0.000 1.438 198 I CB -0.080 37.875 38.000 -0.075 0.000 1.085 198 I HN 0.663 nan 8.210 nan 0.000 0.427 199 I N 0.735 121.305 120.570 -0.001 0.000 2.142 199 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 199 I C 2.292 178.414 176.117 0.007 0.000 1.078 199 I CA 1.708 63.011 61.300 0.005 0.000 1.343 199 I CB -0.299 37.726 38.000 0.041 0.000 1.046 199 I HN 0.317 nan 8.210 nan 0.000 0.405 200 L N -1.465 119.780 121.223 0.037 0.000 2.558 200 L HA 0.208 4.548 4.340 -0.000 0.000 0.225 200 L C 0.934 177.801 176.870 -0.005 0.000 1.128 200 L CA 0.351 55.205 54.840 0.023 0.000 0.868 200 L CB -0.374 41.719 42.059 0.057 0.000 1.006 200 L HN 0.061 nan 8.230 nan 0.000 0.454 204 C N 0.917 120.068 119.300 -0.247 0.000 2.398 204 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 204 C C 2.601 177.373 174.990 -0.363 0.000 1.222 204 C CA 2.158 61.028 59.018 -0.247 0.000 1.746 204 C CB -1.001 26.578 27.740 -0.268 0.000 2.039 204 C HN 0.680 nan 8.230 nan 0.000 0.470 205 H N -1.514 117.236 119.070 -0.533 0.000 2.321 205 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 205 H C 2.273 177.086 175.328 -0.858 0.000 1.087 205 H CA 2.224 57.771 56.048 -0.835 0.000 1.319 205 H CB -0.865 28.292 29.762 -1.008 0.000 1.379 205 H HN 0.748 nan 8.280 nan 0.000 0.501 206 W N 1.234 122.346 121.300 -0.312 0.000 2.350 206 W HA -0.192 4.468 4.660 -0.000 0.000 0.289 206 W C 2.787 179.077 176.519 -0.382 0.000 1.215 206 W CA 0.240 57.372 57.345 -0.355 0.000 1.236 206 W CB -0.188 29.077 29.460 -0.325 0.000 1.130 206 W HN 0.072 nan 8.180 nan 0.000 0.541 207 R N 1.542 121.995 120.500 -0.079 0.000 2.115 207 R HA -0.280 4.060 4.340 -0.000 0.000 0.239 207 R C 2.158 178.450 176.300 -0.013 0.000 1.133 207 R CA 2.673 58.754 56.100 -0.033 0.000 0.935 207 R CB -1.598 28.715 30.300 0.022 0.000 0.853 207 R HN 0.498 nan 8.270 nan 0.000 0.433 208 Y N -1.490 118.817 120.300 0.012 0.000 2.263 208 Y HA 0.082 4.632 4.550 -0.000 0.000 0.292 208 Y C 1.996 177.883 175.900 -0.023 0.000 1.130 208 Y CA 0.691 58.795 58.100 0.006 0.000 1.179 208 Y CB -1.093 37.370 38.460 0.004 0.000 0.998 208 Y HN -0.125 nan 8.280 nan 0.000 0.532 209 V N 1.742 121.509 119.914 -0.245 0.000 2.252 209 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 209 V C 2.637 178.621 176.094 -0.182 0.000 1.056 209 V CA 2.329 64.522 62.300 -0.178 0.000 1.022 209 V CB -0.841 30.890 31.823 -0.153 0.000 0.641 209 V HN 0.528 nan 8.190 nan 0.000 0.445 210 L N -0.417 120.751 121.223 -0.091 0.000 2.017 210 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 210 L C 2.388 179.263 176.870 0.008 0.000 1.073 210 L CA 1.805 56.659 54.840 0.023 0.000 0.745 210 L CB -0.863 41.130 42.059 -0.109 0.000 0.894 210 L HN 0.319 nan 8.230 nan 0.000 0.432 211 D N -0.168 120.233 120.400 0.002 0.000 2.144 211 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 211 D C 2.016 178.311 176.300 -0.008 0.000 0.984 211 D CA 1.031 55.045 54.000 0.024 0.000 0.834 211 D CB -0.115 40.720 40.800 0.059 0.000 0.955 211 D HN 0.322 nan 8.370 nan 0.000 0.465 212 N N -0.370 118.309 118.700 -0.036 0.000 2.387 212 N HA 0.054 4.794 4.740 -0.000 0.000 0.176 212 N C 1.931 177.321 175.510 -0.201 0.000 1.022 212 N CA 0.273 53.285 53.050 -0.064 0.000 0.883 212 N CB 0.384 38.883 38.487 0.021 0.000 1.019 212 N HN 0.189 nan 8.380 nan 0.000 0.435 213 L N -0.672 120.288 121.223 -0.439 0.000 2.162 213 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 213 L C 1.121 177.575 176.870 -0.692 0.000 1.086 213 L CA 1.016 55.370 54.840 -0.809 0.000 0.778 213 L CB -0.112 40.984 42.059 -1.606 0.000 0.928 213 L HN 0.032 nan 8.230 nan 0.000 0.446 214 F N -0.851 119.044 119.950 -0.091 0.000 2.778 214 F HA 0.515 5.042 4.527 -0.000 0.000 0.314 214 F C 1.004 176.770 175.800 -0.056 0.000 1.073 214 F CA -0.114 57.828 58.000 -0.096 0.000 1.218 214 F CB 0.348 39.264 39.000 -0.140 0.000 1.037 214 F HN -0.015 nan 8.300 nan 0.000 0.594 215 G N 0.849 109.707 108.800 0.097 0.000 2.465 215 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.681 215 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.681 215 G C -1.155 173.786 174.900 0.069 0.000 1.340 215 G CA -1.278 43.864 45.100 0.070 0.000 0.884 215 G HN 0.167 nan 8.290 nan 0.000 0.650 216 N N -0.627 118.106 118.700 0.055 0.000 2.492 216 N HA 0.315 5.055 4.740 -0.000 0.000 0.262 216 N C 0.651 176.208 175.510 0.078 0.000 1.202 216 N CA -0.390 52.695 53.050 0.059 0.000 0.926 216 N CB 1.307 39.825 38.487 0.051 0.000 1.078 216 N HN 0.458 nan 8.380 nan 0.000 0.454 217 V N 2.440 122.407 119.914 0.087 0.000 2.521 217 V HA -0.057 4.063 4.120 -0.000 0.000 0.286 217 V C 1.014 177.186 176.094 0.131 0.000 1.034 217 V CA 0.530 62.911 62.300 0.135 0.000 1.045 217 V CB 0.872 32.787 31.823 0.155 0.000 0.974 217 V HN 0.801 nan 8.190 nan 0.000 0.480 218 Q N 2.498 122.387 119.800 0.149 0.000 2.396 218 Q HA 0.198 4.537 4.340 -0.000 0.000 0.220 218 Q C 0.380 176.475 176.000 0.159 0.000 0.900 218 Q CA 0.548 56.425 55.803 0.123 0.000 0.925 218 Q CB 0.976 29.767 28.738 0.088 0.000 1.065 218 Q HN 0.942 nan 8.270 nan 0.000 0.535 219 S N -1.352 114.493 115.700 0.242 0.000 2.578 219 S HA 0.554 5.024 4.470 -0.000 0.000 0.272 219 S C -1.491 173.331 174.600 0.371 0.000 1.145 219 S CA -0.953 57.437 58.200 0.316 0.000 0.835 219 S CB 2.012 65.441 63.200 0.380 0.000 1.104 219 S HN -0.041 nan 8.310 nan 0.000 0.458 220 V N 1.082 121.099 119.914 0.171 0.000 2.612 220 V HA 0.752 4.872 4.120 -0.000 0.000 0.301 220 V C -1.252 174.488 176.094 -0.590 0.000 1.059 220 V CA -0.449 61.680 62.300 -0.286 0.000 0.886 220 V CB 1.537 33.224 31.823 -0.227 0.000 1.007 220 V HN 1.076 nan 8.190 nan 0.000 0.426 221 V N 7.330 126.498 119.914 -1.243 0.000 2.435 221 V HA 0.780 4.900 4.120 -0.000 0.000 0.290 221 V C -0.407 175.262 176.094 -0.709 0.000 1.030 221 V CA -0.026 61.613 62.300 -1.101 0.000 0.881 221 V CB 1.422 32.211 31.823 -1.723 0.000 0.983 221 V HN 1.143 nan 8.190 nan 0.000 0.445 222 C N 7.285 126.325 119.300 -0.434 0.000 2.782 222 C HA 0.680 5.140 4.460 -0.000 0.000 0.328 222 C C -1.019 173.819 174.990 -0.253 0.000 1.145 222 C CA -0.766 58.056 59.018 -0.327 0.000 1.358 222 C CB 0.764 28.340 27.740 -0.275 0.000 1.841 222 C HN 0.965 nan 8.230 nan 0.000 0.477 223 I N 4.689 125.073 120.570 -0.310 0.000 2.499 223 I HA 0.715 4.885 4.170 -0.000 0.000 0.288 223 I C 0.319 175.999 176.117 -0.728 0.000 1.048 223 I CA 0.180 61.150 61.300 -0.549 0.000 1.062 223 I CB 1.751 39.581 38.000 -0.282 0.000 1.238 223 I HN 0.854 nan 8.210 nan 0.000 0.426 224 G N 4.314 112.119 108.800 -1.658 0.000 2.552 224 G HA2 0.519 4.479 3.960 -0.000 0.000 0.318 224 G HA3 0.519 4.479 3.960 -0.000 0.000 0.318 224 G C -1.459 172.935 174.900 -0.843 0.000 1.240 224 G CA -0.518 43.818 45.100 -1.273 0.000 1.002 224 G HN 0.648 nan 8.290 nan 0.000 0.493 225 N N -2.408 116.099 118.700 -0.322 0.000 2.859 225 N HA 0.396 5.136 4.740 -0.000 0.000 0.250 225 N C -1.403 174.155 175.510 0.079 0.000 1.341 225 N CA -0.515 52.542 53.050 0.013 0.000 0.881 225 N CB 1.811 40.330 38.487 0.054 0.000 1.516 225 N HN 0.332 nan 8.380 nan 0.000 0.503 226 T N 1.438 116.074 114.554 0.137 0.000 2.853 226 T HA 0.252 4.602 4.350 -0.000 0.000 0.317 226 T C -0.081 174.658 174.700 0.066 0.000 1.059 226 T CA -0.370 61.796 62.100 0.111 0.000 0.954 226 T CB 0.678 69.627 68.868 0.135 0.000 0.994 226 T HN 0.383 nan 8.240 nan 0.000 0.479 227 D N 1.772 122.188 120.400 0.027 0.000 2.137 227 D HA 0.031 4.671 4.640 -0.000 0.000 0.202 227 D C 0.632 176.933 176.300 0.000 0.000 0.970 227 D CA 0.809 54.814 54.000 0.009 0.000 0.837 227 D CB 0.353 41.133 40.800 -0.033 0.000 0.981 227 D HN 0.373 nan 8.370 nan 0.000 0.475 228 I N 2.890 123.438 120.570 -0.035 0.000 2.328 228 I HA 0.130 4.300 4.170 -0.000 0.000 0.287 228 I C -1.514 174.578 176.117 -0.040 0.000 1.012 228 I CA -2.177 59.097 61.300 -0.044 0.000 1.195 228 I CB 1.143 39.075 38.000 -0.114 0.000 1.350 228 I HN -0.193 nan 8.210 nan 0.000 0.464 229 P HA -0.042 nan 4.420 nan 0.000 0.219 229 P C 0.298 177.546 177.300 -0.087 0.000 1.150 229 P CA 0.993 64.076 63.100 -0.027 0.000 0.814 229 P CB 1.024 32.717 31.700 -0.012 0.000 0.787 230 E N -0.522 119.589 120.200 -0.149 0.000 2.256 230 E HA 0.496 4.846 4.350 -0.000 0.000 0.268 230 E C -0.611 175.747 176.600 -0.404 0.000 0.877 230 E CA -0.687 55.539 56.400 -0.291 0.000 0.757 230 E CB 1.887 31.437 29.700 -0.250 0.000 1.183 230 E HN -0.128 nan 8.360 nan 0.000 0.418 231 R N 2.237 122.274 120.500 -0.772 0.000 2.831 231 R HA 0.529 4.868 4.340 -0.000 0.000 0.266 231 R C -1.284 174.394 176.300 -1.037 0.000 1.051 231 R CA -0.844 54.805 56.100 -0.752 0.000 0.943 231 R CB 1.260 31.139 30.300 -0.702 0.000 1.228 231 R HN 0.304 nan 8.270 nan 0.000 0.467 232 F N 0.551 120.275 119.950 -0.378 0.000 2.482 232 F HA 0.262 4.789 4.527 -0.000 0.000 0.331 232 F C 0.615 176.546 175.800 0.219 0.000 1.115 232 F CA -0.735 57.219 58.000 -0.077 0.000 0.955 232 F CB 1.226 40.173 39.000 -0.089 0.000 1.136 232 F HN 0.223 nan 8.300 nan 0.000 0.452 233 D N 1.929 122.611 120.400 0.470 0.000 2.383 233 D HA -0.079 4.561 4.640 -0.000 0.000 0.233 233 D C 0.956 177.393 176.300 0.229 0.000 1.233 233 D CA 0.596 54.794 54.000 0.330 0.000 0.881 233 D CB 0.690 41.616 40.800 0.210 0.000 1.212 233 D HN 0.636 nan 8.370 nan 0.000 0.467 234 E N 0.298 120.593 120.200 0.159 0.000 2.455 234 E HA -0.196 4.154 4.350 -0.000 0.000 0.202 234 E C 1.083 177.742 176.600 0.097 0.000 1.045 234 E CA 0.966 57.435 56.400 0.115 0.000 0.872 234 E CB 0.057 29.811 29.700 0.091 0.000 0.792 234 E HN 0.254 nan 8.360 nan 0.000 0.542 235 Q N -1.380 118.486 119.800 0.109 0.000 2.247 235 Q HA 0.266 4.606 4.340 -0.000 0.000 0.211 235 Q C 1.008 177.072 176.000 0.107 0.000 0.861 235 Q CA 0.546 56.403 55.803 0.090 0.000 0.949 235 Q CB 1.170 29.954 28.738 0.078 0.000 1.115 235 Q HN 0.264 nan 8.270 nan 0.000 0.507 236 G N 0.624 109.516 108.800 0.152 0.000 2.143 236 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.249 236 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.249 236 G C -0.079 175.002 174.900 0.301 0.000 0.981 236 G CA 0.078 45.293 45.100 0.190 0.000 0.665 236 G HN 0.214 nan 8.290 nan 0.000 0.528 237 K N 0.534 121.073 120.400 0.231 0.000 2.276 237 K HA 0.376 4.696 4.320 -0.000 0.000 0.283 237 K C 0.732 177.387 176.600 0.091 0.000 1.044 237 K CA -0.479 55.909 56.287 0.169 0.000 0.944 237 K CB 0.861 33.429 32.500 0.114 0.000 1.012 237 K HN 0.221 nan 8.250 nan 0.000 0.472 238 K N 3.297 123.606 120.400 -0.151 0.000 2.448 238 K HA 0.014 4.334 4.320 -0.000 0.000 0.278 238 K C -0.958 175.515 176.600 -0.211 0.000 1.009 238 K CA 0.181 56.111 56.287 -0.594 0.000 0.995 238 K CB 0.330 32.498 32.500 -0.554 0.000 0.917 238 K HN 0.465 nan 8.250 nan 0.000 0.481 239 Y N 0.048 120.158 120.300 -0.317 0.000 2.615 239 Y HA 0.397 4.947 4.550 -0.000 0.000 0.341 239 Y C -1.104 174.711 175.900 -0.141 0.000 1.089 239 Y CA -1.429 56.575 58.100 -0.160 0.000 1.049 239 Y CB 0.884 39.298 38.460 -0.075 0.000 1.296 239 Y HN 0.311 nan 8.280 nan 0.000 0.470 240 K N 2.104 122.573 120.400 0.114 0.000 2.276 240 K HA 0.682 5.002 4.320 -0.000 0.000 0.285 240 K C -0.553 176.160 176.600 0.189 0.000 1.062 240 K CA -0.374 55.943 56.287 0.050 0.000 0.918 240 K CB 0.701 33.228 32.500 0.045 0.000 1.055 240 K HN 0.952 nan 8.250 nan 0.000 0.477 241 A N 3.225 126.101 122.820 0.093 0.000 2.409 241 A HA 0.148 4.468 4.320 -0.000 0.000 0.267 241 A C 0.847 178.524 177.584 0.156 0.000 1.127 241 A CA -0.107 52.047 52.037 0.195 0.000 0.795 241 A CB 0.210 19.281 19.000 0.119 0.000 1.061 241 A HN 0.912 nan 8.150 nan 0.000 0.502 242 T N -0.505 114.155 114.554 0.177 0.000 2.959 242 T HA 0.504 4.854 4.350 -0.000 0.000 0.254 242 T C 0.812 175.604 174.700 0.153 0.000 1.003 242 T CA 0.598 62.779 62.100 0.135 0.000 0.950 242 T CB -0.174 68.756 68.868 0.104 0.000 1.090 242 T HN 1.112 nan 8.240 nan 0.000 0.503 243 A N 2.935 125.863 122.820 0.180 0.000 2.313 243 A HA 0.506 4.826 4.320 -0.000 0.000 0.261 243 A C 0.151 177.867 177.584 0.220 0.000 1.090 243 A CA -0.611 51.537 52.037 0.185 0.000 0.807 243 A CB 0.084 19.171 19.000 0.145 0.000 1.055 243 A HN 0.591 nan 8.150 nan 0.000 0.492 244 D N 0.437 120.979 120.400 0.236 0.000 2.350 244 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 244 D C -0.734 175.661 176.300 0.159 0.000 1.119 244 D CA -0.070 54.042 54.000 0.187 0.000 0.886 244 D CB 1.274 42.149 40.800 0.125 0.000 1.195 244 D HN 0.523 nan 8.370 nan 0.000 0.437 245 D N -0.311 120.168 120.400 0.133 0.000 2.433 245 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 245 D C -0.259 176.009 176.300 -0.054 0.000 1.114 245 D CA -0.269 53.844 54.000 0.189 0.000 0.837 245 D CB 0.413 41.351 40.800 0.230 0.000 0.984 245 D HN 0.157 nan 8.370 nan 0.000 0.505 246 S N -0.845 114.768 115.700 -0.145 0.000 2.564 246 S HA 0.871 5.341 4.470 -0.000 0.000 0.274 246 S C -1.284 173.046 174.600 -0.450 0.000 1.124 246 S CA -0.502 57.503 58.200 -0.325 0.000 0.869 246 S CB 2.189 65.245 63.200 -0.240 0.000 1.105 246 S HN 0.477 nan 8.310 nan 0.000 0.472 247 A N 1.430 123.783 122.820 -0.778 0.000 2.594 247 A HA 0.702 5.021 4.320 -0.000 0.000 0.296 247 A C -2.431 174.600 177.584 -0.921 0.000 1.056 247 A CA -0.745 50.874 52.037 -0.697 0.000 0.693 247 A CB 0.858 19.611 19.000 -0.413 0.000 1.278 247 A HN 0.726 nan 8.150 nan 0.000 0.408 248 Y N 0.427 120.577 120.300 -0.251 0.000 2.326 248 Y HA 0.695 5.245 4.550 -0.000 0.000 0.329 248 Y C 0.390 176.100 175.900 -0.316 0.000 0.973 248 Y CA -0.351 57.617 58.100 -0.220 0.000 1.162 248 Y CB 2.234 40.643 38.460 -0.085 0.000 1.147 248 Y HN 1.058 nan 8.280 nan 0.000 0.456 249 A N 1.829 124.409 122.820 -0.400 0.000 2.414 249 A HA 0.912 5.232 4.320 -0.000 0.000 0.306 249 A C -0.820 176.364 177.584 -0.666 0.000 1.054 249 A CA -0.777 50.932 52.037 -0.547 0.000 0.724 249 A CB 1.350 20.012 19.000 -0.564 0.000 1.267 249 A HN 0.571 nan 8.150 nan 0.000 0.418 250 T N 1.706 115.852 114.554 -0.681 0.000 2.848 250 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 250 T C -1.159 173.285 174.700 -0.428 0.000 0.995 250 T CA 0.043 61.958 62.100 -0.307 0.000 0.970 250 T CB 0.410 69.283 68.868 0.009 0.000 0.976 250 T HN 0.352 nan 8.240 nan 0.000 0.441 251 F N 1.479 121.510 119.950 0.135 0.000 2.520 251 F HA 0.531 5.058 4.527 -0.000 0.000 0.322 251 F C 0.470 176.422 175.800 0.255 0.000 1.103 251 F CA -1.027 57.084 58.000 0.184 0.000 0.926 251 F CB 2.039 41.083 39.000 0.073 0.000 1.154 251 F HN 0.343 nan 8.300 nan 0.000 0.453 252 Q N 2.312 122.387 119.800 0.458 0.000 2.271 252 Q HA 0.624 4.964 4.340 -0.000 0.000 0.258 252 Q C -1.545 174.572 176.000 0.194 0.000 0.936 252 Q CA -0.780 55.166 55.803 0.238 0.000 0.909 252 Q CB 1.482 30.278 28.738 0.098 0.000 1.253 252 Q HN 0.477 nan 8.270 nan 0.000 0.440 253 L N 2.082 123.380 121.223 0.126 0.000 2.342 253 L HA 0.360 4.700 4.340 -0.000 0.000 0.271 253 L C -0.124 176.785 176.870 0.066 0.000 1.008 253 L CA -0.389 54.512 54.840 0.102 0.000 0.818 253 L CB 1.827 43.940 42.059 0.088 0.000 1.296 253 L HN 0.633 nan 8.230 nan 0.000 0.427 254 E N 1.044 121.282 120.200 0.062 0.000 2.481 254 E HA 0.232 4.582 4.350 -0.000 0.000 0.263 254 E C 0.760 177.383 176.600 0.038 0.000 0.992 254 E CA 1.178 57.605 56.400 0.045 0.000 0.938 254 E CB 0.274 30.000 29.700 0.044 0.000 0.933 254 E HN 0.837 nan 8.360 nan 0.000 0.453 255 G N 2.566 111.382 108.800 0.027 0.000 2.143 255 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 255 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 255 G C 0.764 175.674 174.900 0.016 0.000 0.991 255 G CA 0.298 45.411 45.100 0.022 0.000 0.689 255 G HN 1.346 nan 8.290 nan 0.000 0.522 256 G N -2.517 106.290 108.800 0.012 0.000 2.147 256 G HA2 0.025 3.984 3.960 -0.000 0.000 0.244 256 G HA3 0.025 3.984 3.960 -0.000 0.000 0.244 256 G C 0.354 175.254 174.900 0.000 0.000 1.005 256 G CA 0.583 45.683 45.100 0.001 0.000 0.713 256 G HN 1.617 nan 8.290 nan 0.000 0.515 257 V N 0.806 120.726 119.914 0.009 0.000 2.539 257 V HA 0.660 4.780 4.120 -0.000 0.000 0.292 257 V C 0.788 176.891 176.094 0.015 0.000 1.045 257 V CA -0.521 61.776 62.300 -0.005 0.000 0.945 257 V CB 1.745 33.555 31.823 -0.022 0.000 0.993 257 V HN 0.304 nan 8.190 nan 0.000 0.464 258 I N 3.319 123.895 120.570 0.010 0.000 2.441 258 I HA 0.745 4.914 4.170 -0.000 0.000 0.295 258 I C 0.119 176.264 176.117 0.047 0.000 0.994 258 I CA -0.402 60.939 61.300 0.068 0.000 1.144 258 I CB 1.865 39.911 38.000 0.078 0.000 1.314 258 I HN 0.686 nan 8.210 nan 0.000 0.445 259 A N 4.535 127.435 122.820 0.133 0.000 2.371 259 A HA 0.723 5.043 4.320 -0.000 0.000 0.311 259 A C -1.446 176.304 177.584 0.276 0.000 1.068 259 A CA -0.406 51.692 52.037 0.101 0.000 0.744 259 A CB 1.043 20.044 19.000 0.001 0.000 1.239 259 A HN 0.816 nan 8.150 nan 0.000 0.435 260 H N 0.989 120.111 119.070 0.086 0.000 2.600 260 H HA 0.756 5.312 4.556 -0.000 0.000 0.357 260 H C -1.431 173.896 175.328 -0.001 0.000 1.106 260 H CA -0.614 55.479 56.048 0.075 0.000 1.193 260 H CB 1.142 30.912 29.762 0.013 0.000 1.594 260 H HN 0.522 nan 8.280 nan 0.000 0.526 261 I N 4.589 124.778 120.570 -0.635 0.000 2.468 261 I HA 0.241 4.411 4.170 -0.000 0.000 0.285 261 I C -0.505 175.275 176.117 -0.562 0.000 1.039 261 I CA -0.980 60.006 61.300 -0.523 0.000 1.074 261 I CB 1.612 39.233 38.000 -0.631 0.000 1.228 261 I HN 0.594 nan 8.210 nan 0.000 0.436 265 W N 2.676 123.812 121.300 -0.274 0.000 3.353 265 W HA 0.329 4.988 4.660 -0.000 0.000 0.304 265 W C 0.729 176.877 176.519 -0.618 0.000 1.273 265 W CA -0.345 56.742 57.345 -0.430 0.000 1.773 265 W CB 0.623 29.924 29.460 -0.266 0.000 1.095 265 W HN 0.425 nan 8.180 nan 0.000 0.676 266 V N 0.415 120.088 119.914 -0.401 0.000 2.711 266 V HA 0.236 4.356 4.120 -0.000 0.000 0.335 266 V C -0.047 175.886 176.094 -0.268 0.000 1.235 266 V CA -0.251 61.605 62.300 -0.740 0.000 1.250 266 V CB 0.311 31.763 31.823 -0.618 0.000 1.469 266 V HN -0.106 nan 8.190 nan 0.000 0.646 267 T N 1.095 115.627 114.554 -0.036 0.000 2.916 267 T HA 0.601 4.951 4.350 -0.000 0.000 0.298 267 T C -0.422 174.432 174.700 0.256 0.000 1.031 267 T CA -0.450 61.733 62.100 0.139 0.000 0.993 267 T CB 1.791 70.663 68.868 0.007 0.000 1.045 267 T HN 0.476 nan 8.240 nan 0.000 0.454 268 R N 2.058 122.716 120.500 0.264 0.000 2.500 268 R HA 0.642 4.982 4.340 -0.000 0.000 0.277 268 R C -0.638 175.751 176.300 0.149 0.000 1.026 268 R CA -0.781 55.442 56.100 0.204 0.000 1.058 268 R CB 1.354 31.728 30.300 0.123 0.000 1.078 268 R HN 0.394 nan 8.270 nan 0.000 0.509 269 V N 3.317 123.316 119.914 0.142 0.000 2.368 269 V HA 0.103 4.223 4.120 -0.000 0.000 0.266 269 V C -0.930 175.270 176.094 0.177 0.000 1.045 269 V CA -0.207 62.167 62.300 0.123 0.000 0.899 269 V CB 0.453 32.325 31.823 0.082 0.000 1.006 269 V HN 0.616 nan 8.190 nan 0.000 0.470 270 Y N 7.523 127.830 120.300 0.010 0.000 2.748 270 Y HA 0.625 5.175 4.550 -0.000 0.000 0.359 270 Y C 0.199 176.103 175.900 0.007 0.000 1.030 270 Y CA -0.860 57.244 58.100 0.006 0.000 1.169 270 Y CB 0.225 38.699 38.460 0.022 0.000 1.127 270 Y HN 0.800 nan 8.280 nan 0.000 0.644 271 R N 0.103 120.526 120.500 -0.129 0.000 2.829 271 R HA 0.273 4.612 4.340 -0.000 0.000 0.283 271 R C -0.626 175.595 176.300 -0.131 0.000 1.013 271 R CA -0.833 55.193 56.100 -0.123 0.000 0.848 271 R CB 0.330 30.605 30.300 -0.041 0.000 1.291 271 R HN 0.076 nan 8.270 nan 0.000 0.496 272 D N -0.165 120.168 120.400 -0.112 0.000 2.182 272 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 272 D C -0.205 176.057 176.300 -0.064 0.000 0.986 272 D CA 1.852 55.794 54.000 -0.096 0.000 0.847 272 D CB 0.049 40.806 40.800 -0.070 0.000 0.942 272 D HN 0.357 nan 8.370 nan 0.000 0.467 273 D N -2.475 117.897 120.400 -0.048 0.000 2.665 273 D HA 0.171 4.811 4.640 -0.000 0.000 0.287 273 D C 0.883 177.168 176.300 -0.025 0.000 1.266 273 D CA -0.624 53.359 54.000 -0.028 0.000 0.830 273 D CB 0.717 41.514 40.800 -0.004 0.000 1.356 273 D HN -0.232 nan 8.370 nan 0.000 0.437 274 L N 0.030 121.243 121.223 -0.016 0.000 2.265 274 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 274 L C 1.123 177.981 176.870 -0.021 0.000 1.117 274 L CA 0.951 55.780 54.840 -0.018 0.000 0.782 274 L CB -0.064 41.981 42.059 -0.023 0.000 0.914 274 L HN 0.049 nan 8.230 nan 0.000 0.441 275 V N -1.656 118.286 119.914 0.047 0.000 3.078 275 V HA 0.533 4.653 4.120 -0.000 0.000 0.311 275 V C -0.919 175.155 176.094 -0.033 0.000 1.138 275 V CA -0.289 62.041 62.300 0.049 0.000 1.007 275 V CB 2.630 34.622 31.823 0.283 0.000 1.045 275 V HN -0.051 nan 8.190 nan 0.000 0.432 276 T N 4.712 119.156 114.554 -0.183 0.000 3.071 276 T HA 0.600 4.950 4.350 -0.000 0.000 0.311 276 T C -1.716 172.787 174.700 -0.328 0.000 1.042 276 T CA -0.053 61.957 62.100 -0.150 0.000 1.028 276 T CB 0.795 69.596 68.868 -0.111 0.000 1.068 276 T HN 0.394 nan 8.240 nan 0.000 0.451 277 F N 2.862 122.824 119.950 0.020 0.000 2.460 277 F HA 0.478 5.005 4.527 -0.000 0.000 0.341 277 F C 0.349 176.163 175.800 0.024 0.000 1.130 277 F CA -0.817 57.187 58.000 0.008 0.000 0.962 277 F CB 1.995 41.043 39.000 0.081 0.000 1.171 277 F HN 0.388 nan 8.300 nan 0.000 0.436 278 Q N 3.289 123.178 119.800 0.149 0.000 2.274 278 Q HA 0.644 4.983 4.340 -0.000 0.000 0.256 278 Q C -1.636 174.425 176.000 0.103 0.000 0.927 278 Q CA -0.518 55.359 55.803 0.125 0.000 0.939 278 Q CB 1.405 30.177 28.738 0.056 0.000 1.201 278 Q HN 0.521 nan 8.270 nan 0.000 0.426 279 V N 4.643 124.653 119.914 0.161 0.000 2.378 279 V HA 0.309 4.429 4.120 -0.000 0.000 0.288 279 V C -0.721 175.433 176.094 0.100 0.000 1.016 279 V CA -0.810 61.482 62.300 -0.013 0.000 0.840 279 V CB 1.626 33.345 31.823 -0.175 0.000 0.994 279 V HN 0.829 nan 8.190 nan 0.000 0.431 280 D N 3.959 124.366 120.400 0.012 0.000 2.280 280 D HA 0.593 5.233 4.640 -0.000 0.000 0.236 280 D C 0.245 176.568 176.300 0.039 0.000 1.082 280 D CA 0.206 54.261 54.000 0.092 0.000 0.834 280 D CB 2.614 43.454 40.800 0.066 0.000 1.100 280 D HN 0.711 nan 8.370 nan 0.000 0.486 281 G N 0.360 109.249 108.800 0.149 0.000 2.685 281 G HA2 0.311 4.271 3.960 -0.000 0.000 0.298 281 G HA3 0.311 4.271 3.960 -0.000 0.000 0.298 281 G C 0.892 175.837 174.900 0.074 0.000 1.277 281 G CA -0.345 44.837 45.100 0.136 0.000 0.986 281 G HN 0.257 nan 8.290 nan 0.000 0.487 282 T N -0.135 114.451 114.554 0.054 0.000 2.759 282 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 282 T C 1.444 176.032 174.700 -0.188 0.000 1.042 282 T CA 1.427 63.492 62.100 -0.058 0.000 1.140 282 T CB -0.217 68.637 68.868 -0.024 0.000 0.864 282 T HN 0.533 nan 8.240 nan 0.000 0.455 283 H N -0.281 118.726 119.070 -0.105 0.000 2.755 283 H HA 0.471 5.027 4.556 -0.000 0.000 0.273 283 H C 1.030 176.133 175.328 -0.374 0.000 1.055 283 H CA 0.308 56.228 56.048 -0.213 0.000 1.191 283 H CB 0.926 30.542 29.762 -0.244 0.000 1.536 283 H HN 0.442 nan 8.280 nan 0.000 0.529 284 G N -0.211 108.459 108.800 -0.217 0.000 2.338 284 G HA2 0.307 4.267 3.960 -0.000 0.000 0.295 284 G HA3 0.307 4.267 3.960 -0.000 0.000 0.295 284 G C -1.385 173.616 174.900 0.168 0.000 1.461 284 G CA -0.562 44.363 45.100 -0.291 0.000 0.817 284 G HN 0.071 nan 8.290 nan 0.000 0.556 285 S N -1.378 114.553 115.700 0.385 0.000 2.632 285 S HA 0.974 5.444 4.470 -0.000 0.000 0.289 285 S C -0.174 174.936 174.600 0.850 0.000 1.115 285 S CA 0.000 58.573 58.200 0.621 0.000 0.889 285 S CB 1.860 65.348 63.200 0.480 0.000 1.116 285 S HN 1.942 nan 8.310 nan 0.000 0.486 286 A N 0.763 124.098 122.820 0.859 0.000 2.556 286 A HA 0.864 5.184 4.320 -0.000 0.000 0.294 286 A C -1.684 176.175 177.584 0.459 0.000 1.091 286 A CA -0.659 51.795 52.037 0.695 0.000 0.704 286 A CB 1.420 20.785 19.000 0.609 0.000 1.300 286 A HN 0.631 nan 8.150 nan 0.000 0.406 287 V N 0.625 120.694 119.914 0.259 0.000 2.569 287 V HA 0.731 4.851 4.120 -0.000 0.000 0.301 287 V C 0.038 176.196 176.094 0.106 0.000 1.044 287 V CA -0.084 62.261 62.300 0.076 0.000 0.874 287 V CB 1.332 33.027 31.823 -0.214 0.000 1.002 287 V HN 1.541 nan 8.190 nan 0.000 0.424 288 A N 3.305 126.218 122.820 0.154 0.000 2.386 288 A HA 1.002 5.321 4.320 -0.000 0.000 0.311 288 A C 0.200 177.862 177.584 0.131 0.000 1.068 288 A CA 0.069 52.197 52.037 0.152 0.000 0.743 288 A CB 1.917 21.042 19.000 0.207 0.000 1.258 288 A HN 1.048 nan 8.150 nan 0.000 0.429 289 G N -0.445 108.407 108.800 0.087 0.000 2.990 289 G HA2 0.479 4.439 3.960 -0.000 0.000 0.208 289 G HA3 0.479 4.439 3.960 -0.000 0.000 0.208 289 G C 0.394 175.346 174.900 0.085 0.000 1.334 289 G CA -0.501 44.642 45.100 0.072 0.000 1.024 289 G HN 0.480 nan 8.290 nan 0.000 0.574 290 L N -0.117 121.146 121.223 0.067 0.000 2.046 290 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 290 L C 2.748 179.624 176.870 0.010 0.000 1.077 290 L CA 2.229 57.107 54.840 0.063 0.000 0.747 290 L CB -0.278 41.819 42.059 0.064 0.000 0.896 290 L HN 0.416 nan 8.230 nan 0.000 0.432 291 S N -2.853 112.841 115.700 -0.009 0.000 2.554 291 S HA 0.200 4.670 4.470 -0.000 0.000 0.227 291 S C 0.100 174.664 174.600 -0.059 0.000 1.050 291 S CA -0.391 57.774 58.200 -0.058 0.000 0.927 291 S CB 0.699 63.882 63.200 -0.029 0.000 0.859 291 S HN 0.236 nan 8.310 nan 0.000 0.494 292 D N -0.125 120.268 120.400 -0.012 0.000 2.419 292 D HA 0.666 5.306 4.640 -0.000 0.000 0.234 292 D C -0.821 175.501 176.300 0.038 0.000 1.014 292 D CA -0.348 53.658 54.000 0.010 0.000 0.919 292 D CB 2.175 42.985 40.800 0.017 0.000 1.366 292 D HN 0.145 nan 8.370 nan 0.000 0.490 296 Q N 4.164 123.971 119.800 0.012 0.000 2.490 296 Q HA 0.763 5.103 4.340 -0.000 0.000 0.255 296 Q C -0.667 175.345 176.000 0.019 0.000 0.997 296 Q CA -0.552 55.060 55.803 -0.317 0.000 0.709 296 Q CB 1.854 29.821 28.738 -1.284 0.000 1.255 296 Q HN 1.067 nan 8.270 nan 0.000 0.486 297 A N 2.962 125.886 122.820 0.173 0.000 2.520 297 A HA 0.048 4.368 4.320 -0.000 0.000 0.235 297 A C 1.095 178.623 177.584 -0.094 0.000 1.065 297 A CA 0.199 52.234 52.037 -0.004 0.000 0.764 297 A CB 0.294 19.344 19.000 0.084 0.000 1.002 297 A HN 1.057 nan 8.150 nan 0.000 0.502 298 R N 0.763 121.182 120.500 -0.133 0.000 2.159 298 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 298 R C 1.075 177.329 176.300 -0.077 0.000 1.131 298 R CA 1.965 57.999 56.100 -0.111 0.000 0.982 298 R CB -0.341 29.879 30.300 -0.135 0.000 0.868 298 R HN 0.723 nan 8.270 nan 0.000 0.453 299 Q N 0.647 120.415 119.800 -0.054 0.000 2.364 299 Q HA 0.071 4.411 4.340 -0.000 0.000 0.207 299 Q C 1.724 177.706 176.000 -0.031 0.000 0.970 299 Q CA 1.630 57.414 55.803 -0.032 0.000 0.888 299 Q CB 0.206 28.936 28.738 -0.013 0.000 0.951 299 Q HN 0.580 nan 8.270 nan 0.000 0.469 300 A N -0.510 122.282 122.820 -0.047 0.000 2.348 300 A HA 0.140 4.460 4.320 -0.000 0.000 0.224 300 A C 0.534 178.074 177.584 -0.073 0.000 1.227 300 A CA -0.172 51.834 52.037 -0.051 0.000 0.885 300 A CB 0.189 19.155 19.000 -0.057 0.000 0.933 300 A HN 0.133 nan 8.150 nan 0.000 0.506 301 T N 4.029 118.533 114.554 -0.084 0.000 2.867 301 T HA 0.329 4.679 4.350 -0.000 0.000 0.297 301 T C -1.779 172.916 174.700 -0.010 0.000 0.989 301 T CA -0.459 61.601 62.100 -0.067 0.000 1.159 301 T CB 0.750 69.579 68.868 -0.064 0.000 0.928 301 T HN 0.376 nan 8.240 nan 0.000 0.538 302 P HA 0.283 nan 4.420 nan 0.000 0.289 302 P C -0.330 176.997 177.300 0.046 0.000 1.299 302 P CA -0.703 62.428 63.100 0.051 0.000 0.766 302 P CB 0.910 32.676 31.700 0.111 0.000 1.226 303 R N 0.562 121.075 120.500 0.023 0.000 2.835 303 R HA 0.280 4.620 4.340 -0.000 0.000 0.290 303 R C -1.911 174.407 176.300 0.030 0.000 1.410 303 R CA -1.278 54.837 56.100 0.025 0.000 1.590 303 R CB -0.108 30.195 30.300 0.004 0.000 1.288 303 R HN 0.453 nan 8.270 nan 0.000 0.637 304 P HA 0.119 nan 4.420 nan 0.000 0.272 304 P C -0.831 176.525 177.300 0.095 0.000 1.230 304 P CA -0.340 62.818 63.100 0.097 0.000 0.788 304 P CB 1.689 33.540 31.700 0.252 0.000 0.949 305 V N 2.505 122.471 119.914 0.085 0.000 2.709 305 V HA 0.266 4.386 4.120 -0.000 0.000 0.308 305 V C -0.865 175.314 176.094 0.142 0.000 1.062 305 V CA -1.052 61.315 62.300 0.112 0.000 0.901 305 V CB 1.999 33.865 31.823 0.072 0.000 1.003 305 V HN 0.690 nan 8.190 nan 0.000 0.425 306 W N 7.443 128.754 121.300 0.019 0.000 2.417 306 W HA 0.168 4.828 4.660 0.000 0.000 0.332 306 W C -0.255 176.276 176.519 0.020 0.000 1.413 306 W CA 0.651 58.008 57.345 0.020 0.000 1.299 306 W CB 0.415 29.881 29.460 0.008 0.000 1.304 306 W HN 0.767 nan 8.180 nan 0.000 0.565 307 N N 6.521 124.949 118.700 -0.455 0.000 2.905 307 N HA 0.152 4.892 4.740 -0.000 0.000 0.255 307 N C -2.613 172.685 175.510 -0.353 0.000 1.199 307 N CA -0.626 52.262 53.050 -0.271 0.000 0.911 307 N CB 0.913 39.337 38.487 -0.104 0.000 1.550 307 N HN 0.171 nan 8.380 nan 0.000 0.599 312 R N 2.586 123.080 120.500 -0.011 0.000 2.504 312 R HA 0.064 4.404 4.340 -0.000 0.000 0.291 312 R C -0.342 175.965 176.300 0.011 0.000 0.974 312 R CA 0.230 56.329 56.100 -0.001 0.000 1.077 312 R CB -0.156 30.142 30.300 -0.003 0.000 0.926 312 R HN 0.257 nan 8.270 nan 0.000 0.407 313 L N 3.566 124.800 121.223 0.018 0.000 2.559 313 L HA -0.097 4.243 4.340 -0.000 0.000 0.282 313 L C 0.543 177.437 176.870 0.039 0.000 1.232 313 L CA 0.934 55.791 54.840 0.028 0.000 0.885 313 L CB -0.106 41.965 42.059 0.021 0.000 1.131 313 L HN 0.535 nan 8.230 nan 0.000 0.498 314 H N 1.475 120.474 119.070 -0.119 0.000 2.679 314 H HA 0.291 4.846 4.556 -0.000 0.000 0.360 314 H C -1.209 173.941 175.328 -0.298 0.000 1.105 314 H CA -0.926 54.971 56.048 -0.253 0.000 1.196 314 H CB 1.536 31.045 29.762 -0.422 0.000 1.636 314 H HN 0.497 nan 8.280 nan 0.000 0.531 315 D N 4.447 124.351 120.400 -0.826 0.000 2.467 315 D HA 0.074 4.714 4.640 -0.000 0.000 0.220 315 D C 0.134 176.126 176.300 -0.515 0.000 1.103 315 D CA -0.269 53.472 54.000 -0.430 0.000 0.886 315 D CB -0.133 40.559 40.800 -0.180 0.000 1.025 315 D HN 0.490 nan 8.370 nan 0.000 0.514 316 F N 1.829 121.703 119.950 -0.126 0.000 2.186 316 F HA -0.141 4.386 4.527 0.000 0.000 0.299 316 F C 1.435 177.300 175.800 0.109 0.000 1.090 316 F CA 0.774 58.767 58.000 -0.012 0.000 1.307 316 F CB -0.394 38.584 39.000 -0.036 0.000 1.019 316 F HN 0.457 nan 8.300 nan 0.000 0.489 317 Y N -0.191 120.263 120.300 0.257 0.000 2.384 317 Y HA -0.157 4.393 4.550 -0.000 0.000 0.289 317 Y C 2.496 178.549 175.900 0.256 0.000 1.152 317 Y CA 0.956 59.155 58.100 0.166 0.000 1.258 317 Y CB -1.228 37.240 38.460 0.014 0.000 0.979 317 Y HN 0.038 nan 8.280 nan 0.000 0.549 318 G N -0.788 108.186 108.800 0.289 0.000 2.712 318 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 318 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 318 G C 0.886 175.901 174.900 0.191 0.000 1.142 318 G CA 0.456 45.665 45.100 0.182 0.000 0.789 318 G HN 0.273 nan 8.290 nan 0.000 0.535 319 D N -0.240 120.316 120.400 0.261 0.000 2.336 319 D HA 0.066 4.706 4.640 -0.000 0.000 0.229 319 D C -0.201 176.099 176.300 0.000 0.000 1.061 319 D CA 0.081 54.152 54.000 0.119 0.000 0.875 319 D CB 0.191 41.046 40.800 0.091 0.000 0.904 319 D HN 0.362 nan 8.370 nan 0.000 0.525 320 W N 0.932 122.297 121.300 0.108 0.000 2.689 320 W HA 0.418 5.078 4.660 -0.000 0.000 0.340 320 W C 0.260 176.832 176.519 0.087 0.000 1.060 320 W CA -0.964 56.447 57.345 0.111 0.000 1.218 320 W CB 1.092 30.627 29.460 0.125 0.000 1.410 320 W HN -0.352 nan 8.180 nan 0.000 0.528 321 Q N 2.424 122.391 119.800 0.279 0.000 2.337 321 Q HA 0.384 4.724 4.340 -0.000 0.000 0.266 321 Q C -0.837 175.261 176.000 0.164 0.000 1.023 321 Q CA -0.970 54.937 55.803 0.174 0.000 0.829 321 Q CB 1.672 30.474 28.738 0.108 0.000 1.306 321 Q HN 0.405 nan 8.270 nan 0.000 0.449 322 K N 4.385 124.859 120.400 0.123 0.000 2.316 322 K HA 0.238 4.558 4.320 -0.000 0.000 0.289 322 K C -0.599 176.042 176.600 0.069 0.000 1.070 322 K CA -0.333 56.012 56.287 0.096 0.000 0.928 322 K CB 0.387 32.932 32.500 0.075 0.000 1.039 322 K HN 0.687 nan 8.250 nan 0.000 0.480 323 L N 7.121 128.381 121.223 0.062 0.000 2.525 323 L HA 0.077 4.417 4.340 -0.000 0.000 0.278 323 L C -1.528 175.368 176.870 0.044 0.000 1.218 323 L CA -1.388 53.480 54.840 0.046 0.000 0.878 323 L CB 0.055 42.145 42.059 0.051 0.000 1.127 323 L HN 0.666 nan 8.230 nan 0.000 0.492 324 P HA 0.031 nan 4.420 nan 0.000 0.272 324 P C -1.117 176.198 177.300 0.025 0.000 1.223 324 P CA -0.394 62.720 63.100 0.022 0.000 0.784 324 P CB 0.656 32.358 31.700 0.004 0.000 0.923 325 D N 2.570 122.995 120.400 0.041 0.000 2.453 325 D HA 0.072 4.712 4.640 -0.000 0.000 0.223 325 D C 0.536 176.819 176.300 -0.028 0.000 1.183 325 D CA 0.025 54.064 54.000 0.065 0.000 0.933 325 D CB -0.332 40.531 40.800 0.103 0.000 1.038 325 D HN 0.185 nan 8.370 nan 0.000 0.513 326 N N 0.607 119.251 118.700 -0.094 0.000 2.322 326 N HA 0.028 4.768 4.740 -0.000 0.000 0.194 326 N C 0.075 175.470 175.510 -0.192 0.000 1.126 326 N CA 0.111 53.077 53.050 -0.139 0.000 0.845 326 N CB 0.728 39.108 38.487 -0.179 0.000 0.976 326 N HN 0.319 nan 8.380 nan 0.000 0.475 327 V N -4.425 115.323 119.914 -0.277 0.000 3.178 327 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 327 V C -0.143 175.675 176.094 -0.459 0.000 1.262 327 V CA -1.068 61.007 62.300 -0.374 0.000 1.030 327 V CB 1.688 33.216 31.823 -0.492 0.000 1.074 327 V HN -0.201 nan 8.190 nan 0.000 0.438 328 S N 1.648 117.151 115.700 -0.328 0.000 2.548 328 S HA 0.632 5.102 4.470 -0.000 0.000 0.277 328 S C -1.058 173.348 174.600 -0.323 0.000 1.315 328 S CA 0.033 58.097 58.200 -0.228 0.000 1.050 328 S CB 0.010 63.151 63.200 -0.098 0.000 0.918 328 S HN 0.621 nan 8.310 nan 0.000 0.497 329 Y N 1.852 122.169 120.300 0.028 0.000 2.342 329 Y HA 0.335 4.885 4.550 -0.000 0.000 0.338 329 Y C 0.573 176.507 175.900 0.057 0.000 0.965 329 Y CA -0.954 57.175 58.100 0.049 0.000 1.159 329 Y CB 0.835 39.325 38.460 0.050 0.000 1.157 329 Y HN 0.525 nan 8.280 nan 0.000 0.486 330 D N 1.541 122.068 120.400 0.213 0.000 2.388 330 D HA 0.004 4.644 4.640 -0.000 0.000 0.254 330 D C -0.158 176.231 176.300 0.148 0.000 1.111 330 D CA -0.403 53.684 54.000 0.145 0.000 0.993 330 D CB 0.876 41.739 40.800 0.106 0.000 1.118 330 D HN 0.523 nan 8.370 nan 0.000 0.502 331 N N 0.232 118.997 118.700 0.108 0.000 2.365 331 N HA -0.066 4.674 4.740 -0.000 0.000 0.265 331 N C 1.055 176.607 175.510 0.069 0.000 1.288 331 N CA 0.388 53.503 53.050 0.109 0.000 0.869 331 N CB 0.938 39.487 38.487 0.103 0.000 1.071 331 N HN 0.518 nan 8.380 nan 0.000 0.480 332 G N 3.605 112.424 108.800 0.032 0.000 2.432 332 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 332 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 332 G C 1.171 175.771 174.900 -0.500 0.000 1.135 332 G CA 0.439 45.422 45.100 -0.196 0.000 0.767 332 G HN 0.638 nan 8.290 nan 0.000 0.550 333 F N 0.665 120.529 119.950 -0.145 0.000 2.163 333 F HA 0.103 4.630 4.527 -0.000 0.000 0.297 333 F C 2.590 178.443 175.800 0.089 0.000 1.094 333 F CA 1.478 59.441 58.000 -0.062 0.000 1.290 333 F CB -0.051 38.894 39.000 -0.091 0.000 1.017 333 F HN 0.060 nan 8.300 nan 0.000 0.483 334 K N 0.644 121.169 120.400 0.208 0.000 2.026 334 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 334 K C 2.106 178.767 176.600 0.102 0.000 1.048 334 K CA 1.733 58.111 56.287 0.152 0.000 0.929 334 K CB -0.229 32.312 32.500 0.067 0.000 0.713 334 K HN 0.238 nan 8.250 nan 0.000 0.439 335 E N 0.391 120.577 120.200 -0.024 0.000 2.038 335 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 335 E C 2.199 178.758 176.600 -0.067 0.000 1.000 335 E CA 1.482 57.864 56.400 -0.030 0.000 0.803 335 E CB 0.013 29.717 29.700 0.007 0.000 0.750 335 E HN 0.365 nan 8.360 nan 0.000 0.448 336 Q N -0.646 118.918 119.800 -0.393 0.000 2.135 336 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 336 Q C 1.762 177.755 176.000 -0.011 0.000 0.981 336 Q CA 1.586 57.272 55.803 -0.194 0.000 0.856 336 Q CB -0.142 28.349 28.738 -0.412 0.000 0.902 336 Q HN 0.389 nan 8.270 nan 0.000 0.425 337 W N 1.510 122.762 121.300 -0.080 0.000 2.322 337 W HA -0.169 4.491 4.660 -0.000 0.000 0.326 337 W C 1.183 177.656 176.519 -0.075 0.000 1.224 337 W CA 0.881 58.133 57.345 -0.154 0.000 1.257 337 W CB -0.324 29.076 29.460 -0.100 0.000 1.174 337 W HN 0.172 nan 8.180 nan 0.000 0.460 341 I N 1.400 121.898 120.570 -0.120 0.000 2.394 341 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 341 I C 2.133 178.238 176.117 -0.019 0.000 1.136 341 I CA 1.264 62.529 61.300 -0.058 0.000 1.425 341 I CB -0.331 37.709 38.000 0.067 0.000 1.079 341 I HN 0.147 nan 8.210 nan 0.000 0.425 342 R N -0.612 119.877 120.500 -0.018 0.000 2.153 342 R HA -0.147 4.193 4.340 -0.000 0.000 0.218 342 R C 2.264 178.552 176.300 -0.020 0.000 1.072 342 R CA 0.843 56.953 56.100 0.017 0.000 0.990 342 R CB -0.377 29.953 30.300 0.048 0.000 0.889 342 R HN 0.374 nan 8.270 nan 0.000 0.452 343 H N 0.408 119.340 119.070 -0.230 0.000 2.423 343 H HA -0.017 4.539 4.556 -0.000 0.000 0.297 343 H C 1.639 176.726 175.328 -0.401 0.000 1.075 343 H CA 1.285 57.157 56.048 -0.293 0.000 1.342 343 H CB 0.125 29.622 29.762 -0.440 0.000 1.395 343 H HN -0.110 nan 8.280 nan 0.000 0.530 344 V N -0.552 118.976 119.914 -0.645 0.000 2.535 344 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 344 V C 1.533 177.240 176.094 -0.645 0.000 1.045 344 V CA 1.439 63.231 62.300 -0.848 0.000 1.058 344 V CB -0.458 30.766 31.823 -0.998 0.000 0.689 344 V HN 0.410 nan 8.190 nan 0.000 0.461 345 Y N 0.712 120.836 120.300 -0.293 0.000 2.503 345 Y HA 0.099 4.649 4.550 -0.000 0.000 0.277 345 Y C 2.024 177.849 175.900 -0.125 0.000 1.102 345 Y CA 0.890 58.887 58.100 -0.171 0.000 1.261 345 Y CB 0.432 38.820 38.460 -0.120 0.000 1.096 345 Y HN 0.430 nan 8.280 nan 0.000 0.546 346 E N -0.545 119.656 120.200 0.001 0.000 2.876 346 E HA 0.136 4.486 4.350 -0.000 0.000 0.208 346 E C -0.341 176.244 176.600 -0.025 0.000 0.981 346 E CA 0.427 56.825 56.400 -0.004 0.000 1.174 346 E CB 0.030 29.744 29.700 0.024 0.000 1.047 346 E HN 0.180 nan 8.360 nan 0.000 0.477 347 D N 0.512 120.863 120.400 -0.082 0.000 3.077 347 D HA -0.240 4.400 4.640 -0.000 0.000 0.217 347 D C 0.107 176.443 176.300 0.061 0.000 1.162 347 D CA 0.951 54.917 54.000 -0.056 0.000 0.943 347 D CB -1.059 39.715 40.800 -0.042 0.000 1.122 347 D HN 0.606 nan 8.370 nan 0.000 0.413 348 A N -0.133 122.735 122.820 0.080 0.000 2.586 348 A HA 0.375 4.695 4.320 -0.000 0.000 0.231 348 A C -2.025 175.664 177.584 0.175 0.000 1.055 348 A CA -0.157 51.947 52.037 0.113 0.000 0.756 348 A CB 0.225 19.287 19.000 0.104 0.000 0.988 348 A HN 0.242 nan 8.150 nan 0.000 0.509 349 P HA 0.329 nan 4.420 nan 0.000 0.276 349 P C -1.105 176.205 177.300 0.017 0.000 1.235 349 P CA 0.499 63.626 63.100 0.046 0.000 0.772 349 P CB 0.241 31.944 31.700 0.004 0.000 0.871 350 Y N 2.217 122.332 120.300 -0.308 0.000 2.301 350 Y HA 0.263 4.813 4.550 -0.000 0.000 0.325 350 Y C 0.877 176.496 175.900 -0.468 0.000 1.103 350 Y CA -0.526 57.317 58.100 -0.428 0.000 1.182 350 Y CB 1.528 39.588 38.460 -0.667 0.000 1.139 350 Y HN 0.224 nan 8.280 nan 0.000 0.443 351 K N 3.810 123.597 120.400 -1.021 0.000 2.167 351 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 351 K C -0.125 175.954 176.600 -0.868 0.000 1.052 351 K CA 0.736 56.478 56.287 -0.908 0.000 0.956 351 K CB 0.048 31.933 32.500 -1.026 0.000 0.735 351 K HN 0.549 nan 8.250 nan 0.000 0.451 352 F N 2.656 122.045 119.950 -0.935 0.000 2.783 352 F HA 0.047 4.574 4.527 -0.000 0.000 0.338 352 F C 0.860 176.559 175.800 -0.168 0.000 1.178 352 F CA -0.162 57.501 58.000 -0.561 0.000 1.343 352 F CB -1.168 37.535 39.000 -0.494 0.000 1.496 352 F HN -0.082 nan 8.300 nan 0.000 0.583 353 T N -3.222 111.386 114.554 0.090 0.000 2.754 353 T HA 0.269 4.619 4.350 -0.000 0.000 0.286 353 T C 1.495 176.390 174.700 0.324 0.000 0.997 353 T CA -0.692 61.595 62.100 0.312 0.000 0.982 353 T CB 0.882 69.877 68.868 0.211 0.000 1.027 353 T HN 0.323 nan 8.240 nan 0.000 0.529 354 L N 0.336 121.854 121.223 0.492 0.000 2.187 354 L HA -0.037 4.302 4.340 -0.000 0.000 0.213 354 L C 2.577 179.545 176.870 0.163 0.000 1.100 354 L CA 0.699 55.678 54.840 0.231 0.000 0.765 354 L CB -0.870 41.242 42.059 0.089 0.000 0.904 354 L HN 0.605 nan 8.230 nan 0.000 0.437 355 L N 0.017 121.368 121.223 0.213 0.000 2.051 355 L HA -0.254 4.086 4.340 -0.000 0.000 0.214 355 L C 2.600 179.554 176.870 0.141 0.000 1.076 355 L CA 1.864 56.802 54.840 0.163 0.000 0.758 355 L CB -0.475 41.684 42.059 0.167 0.000 0.890 355 L HN 0.217 nan 8.230 nan 0.000 0.433 356 E N -0.270 120.010 120.200 0.133 0.000 2.106 356 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 356 E C 2.179 178.842 176.600 0.106 0.000 0.984 356 E CA 1.151 57.623 56.400 0.119 0.000 0.806 356 E CB -0.850 28.927 29.700 0.129 0.000 0.750 356 E HN 0.638 nan 8.360 nan 0.000 0.458 357 G N 1.247 110.099 108.800 0.087 0.000 2.422 357 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 357 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 357 G C 1.739 176.689 174.900 0.083 0.000 1.146 357 G CA 1.183 46.317 45.100 0.056 0.000 0.769 357 G HN 0.393 nan 8.290 nan 0.000 0.547 358 A N 0.757 123.653 122.820 0.127 0.000 1.930 358 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 358 A C 2.287 179.983 177.584 0.188 0.000 1.175 358 A CA 1.960 54.130 52.037 0.222 0.000 0.627 358 A CB -0.324 18.837 19.000 0.268 0.000 0.815 358 A HN 0.363 nan 8.150 nan 0.000 0.443 359 K N -0.548 119.924 120.400 0.120 0.000 2.057 359 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 359 K C 2.094 178.691 176.600 -0.005 0.000 1.049 359 K CA 1.189 57.499 56.287 0.038 0.000 0.931 359 K CB -0.480 32.063 32.500 0.071 0.000 0.714 359 K HN 0.466 nan 8.250 nan 0.000 0.440 360 G N 0.558 109.379 108.800 0.034 0.000 2.446 360 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 360 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 360 G C 1.539 176.425 174.900 -0.023 0.000 1.168 360 G CA 1.014 46.119 45.100 0.007 0.000 0.771 360 G HN 0.125 nan 8.290 nan 0.000 0.551 361 V N 0.517 120.430 119.914 -0.001 0.000 2.358 361 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 361 V C 2.738 178.780 176.094 -0.087 0.000 1.047 361 V CA 2.149 64.454 62.300 0.008 0.000 1.035 361 V CB -0.582 31.299 31.823 0.097 0.000 0.658 361 V HN 0.466 nan 8.190 nan 0.000 0.452 362 Q N -0.623 119.007 119.800 -0.283 0.000 2.112 362 Q HA -0.274 4.066 4.340 -0.000 0.000 0.206 362 Q C 2.258 178.103 176.000 -0.259 0.000 0.987 362 Q CA 2.039 57.467 55.803 -0.625 0.000 0.858 362 Q CB -0.144 28.009 28.738 -0.974 0.000 0.905 362 Q HN 0.533 nan 8.270 nan 0.000 0.420 363 L N 0.265 121.418 121.223 -0.118 0.000 2.044 363 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 363 L C 2.262 179.149 176.870 0.028 0.000 1.075 363 L CA 2.007 56.846 54.840 -0.002 0.000 0.747 363 L CB -0.975 41.126 42.059 0.069 0.000 0.903 363 L HN 0.227 nan 8.230 nan 0.000 0.435 364 A N -0.720 122.109 122.820 0.015 0.000 1.873 364 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 364 A C 2.189 179.796 177.584 0.038 0.000 1.193 364 A CA 2.121 54.177 52.037 0.032 0.000 0.629 364 A CB -0.803 18.206 19.000 0.015 0.000 0.826 364 A HN 0.570 nan 8.150 nan 0.000 0.447 365 E N -1.022 119.188 120.200 0.016 0.000 2.097 365 E HA -0.224 4.125 4.350 -0.000 0.000 0.196 365 E C 2.138 178.753 176.600 0.025 0.000 1.000 365 E CA 1.314 57.730 56.400 0.026 0.000 0.804 365 E CB -0.399 29.315 29.700 0.023 0.000 0.740 365 E HN 0.696 nan 8.360 nan 0.000 0.454 366 C N 0.454 119.754 119.300 0.001 0.000 2.413 366 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 366 C C 2.928 177.930 174.990 0.021 0.000 1.236 366 C CA 0.981 60.006 59.018 0.011 0.000 1.735 366 C CB -1.010 26.734 27.740 0.006 0.000 2.031 366 C HN 0.549 nan 8.230 nan 0.000 0.474 367 A N 0.295 123.129 122.820 0.023 0.000 1.883 367 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 367 A C 2.080 179.716 177.584 0.087 0.000 1.186 367 A CA 1.702 53.743 52.037 0.007 0.000 0.624 367 A CB -0.699 18.310 19.000 0.015 0.000 0.822 367 A HN 0.627 nan 8.150 nan 0.000 0.444 368 L N -0.721 120.579 121.223 0.128 0.000 2.083 368 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 368 L C 2.631 179.589 176.870 0.148 0.000 1.083 368 L CA 1.973 56.938 54.840 0.210 0.000 0.752 368 L CB -0.429 41.718 42.059 0.148 0.000 0.899 368 L HN 0.469 nan 8.230 nan 0.000 0.433 369 K N 0.134 120.583 120.400 0.080 0.000 2.057 369 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 369 K C 2.430 179.067 176.600 0.061 0.000 1.050 369 K CA 1.615 57.932 56.287 0.050 0.000 0.935 369 K CB -0.072 32.451 32.500 0.038 0.000 0.715 369 K HN 0.291 nan 8.250 nan 0.000 0.439 370 S N -0.054 115.680 115.700 0.056 0.000 2.399 370 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 370 S C 1.829 176.486 174.600 0.095 0.000 1.022 370 S CA 0.828 59.042 58.200 0.024 0.000 0.983 370 S CB -0.574 62.575 63.200 -0.085 0.000 0.803 370 S HN 0.583 nan 8.310 nan 0.000 0.480 371 W N 2.755 124.009 121.300 -0.076 0.000 2.353 371 W HA -0.017 4.643 4.660 -0.000 0.000 0.319 371 W C 2.395 178.895 176.519 -0.031 0.000 1.207 371 W CA 1.557 58.870 57.345 -0.054 0.000 1.291 371 W CB -1.085 28.352 29.460 -0.037 0.000 1.159 371 W HN 0.400 nan 8.180 nan 0.000 0.478 372 K N 0.093 120.505 120.400 0.021 0.000 2.113 372 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 372 K C 1.540 178.116 176.600 -0.039 0.000 1.047 372 K CA 2.165 58.373 56.287 -0.131 0.000 0.928 372 K CB -0.309 32.122 32.500 -0.115 0.000 0.716 372 K HN 0.208 nan 8.250 nan 0.000 0.446 373 E N -0.486 119.724 120.200 0.017 0.000 2.538 373 E HA 0.120 4.470 4.350 -0.000 0.000 0.207 373 E C -0.492 176.133 176.600 0.040 0.000 1.002 373 E CA -0.218 56.196 56.400 0.022 0.000 0.952 373 E CB 0.711 30.427 29.700 0.025 0.000 1.031 373 E HN 0.187 nan 8.360 nan 0.000 0.476 374 R N 0.698 121.233 120.500 0.059 0.000 3.875 374 R HA -0.195 4.145 4.340 -0.000 0.000 0.321 374 R C 0.063 176.387 176.300 0.039 0.000 1.196 374 R CA 1.142 57.276 56.100 0.056 0.000 0.868 374 R CB -2.077 28.254 30.300 0.051 0.000 1.333 374 R HN 0.387 nan 8.270 nan 0.000 0.522 375 R N -1.645 118.874 120.500 0.031 0.000 2.817 375 R HA 0.444 4.784 4.340 -0.000 0.000 0.268 375 R C -0.886 175.439 176.300 0.043 0.000 1.027 375 R CA -0.979 55.164 56.100 0.071 0.000 0.928 375 R CB 0.641 31.004 30.300 0.105 0.000 1.228 375 R HN -0.057 nan 8.270 nan 0.000 0.469 376 W N 0.904 122.205 121.300 0.002 0.000 2.158 376 W HA 0.330 4.990 4.660 -0.000 0.000 0.339 376 W C 0.026 176.547 176.519 0.003 0.000 1.294 376 W CA 0.036 57.377 57.345 -0.007 0.000 1.231 376 W CB 0.613 30.067 29.460 -0.009 0.000 1.143 376 W HN 0.244 nan 8.180 nan 0.000 0.571 377 I N 3.530 124.233 120.570 0.222 0.000 2.478 377 I HA 0.085 4.255 4.170 -0.000 0.000 0.287 377 I C -0.688 175.525 176.117 0.161 0.000 1.042 377 I CA -1.005 60.383 61.300 0.147 0.000 1.067 377 I CB 1.231 39.274 38.000 0.072 0.000 1.233 377 I HN 0.248 nan 8.210 nan 0.000 0.431 378 D N 5.386 125.867 120.400 0.135 0.000 2.350 378 D HA 0.175 4.815 4.640 -0.000 0.000 0.249 378 D C 0.121 176.473 176.300 0.086 0.000 1.119 378 D CA -0.113 53.957 54.000 0.116 0.000 0.886 378 D CB 2.034 42.886 40.800 0.087 0.000 1.195 378 D HN 0.098 nan 8.370 nan 0.000 0.437 379 V N 2.094 122.059 119.914 0.085 0.000 2.338 379 V HA 0.299 4.419 4.120 -0.000 0.000 0.255 379 V C 0.821 176.946 176.094 0.051 0.000 1.082 379 V CA -0.959 61.374 62.300 0.054 0.000 0.951 379 V CB 0.143 32.002 31.823 0.061 0.000 1.102 379 V HN 0.638 nan 8.190 nan 0.000 0.489 380 A N 7.939 130.789 122.820 0.050 0.000 2.548 380 A HA 0.394 4.714 4.320 -0.000 0.000 0.247 380 A C -1.929 175.700 177.584 0.075 0.000 1.067 380 A CA -0.648 51.429 52.037 0.068 0.000 0.757 380 A CB -0.438 18.615 19.000 0.087 0.000 0.996 380 A HN 0.665 nan 8.150 nan 0.000 0.504 381 P HA 0.184 nan 4.420 nan 0.000 0.268 381 P C 0.044 177.406 177.300 0.102 0.000 1.205 381 P CA 0.070 63.216 63.100 0.077 0.000 0.771 381 P CB 0.380 32.117 31.700 0.062 0.000 0.858 382 I N 0.000 120.641 120.570 0.119 0.000 2.984 382 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 382 I CA 0.000 61.384 61.300 0.141 0.000 1.566 382 I CB 0.000 38.101 38.000 0.168 0.000 1.214 382 I HN 0.000 nan 8.210 nan 0.000 0.494