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 2r3v_1_D DATA FIRST_RESID 2 DATA SEQUENCE LSEVLLVSAP GKVILHGEHA VVHGKVALAV SLNLRTFLRL QPHSNGKVDL DATA SEQUENCE SLPNIGIKRA WDVARLQSLD TSFLXXXXXT TPTSEQVEKL KEVAGLPDDC DATA SEQUENCE AVTERLAVLA FLYLYLSICR KQRALPSLDI VVWSELPPGA GLGSSAAYSV DATA SEQUENCE CLAAALLTVC EEIPNPLKDG DCVNRWTKED LELINKWAFQ GERMIHGNPS DATA SEQUENCE GVDNAVSTWG GALRYHQGKI SSLKRSPALQ ILLTNTKVPR NTRALVAGVR DATA SEQUENCE NRLLKFPEIV APLLTSIDAI SLECERVLGE MGEAPAPEQY LVLEELIDMN DATA SEQUENCE QHHLNALGVG HASLDQLCQV TRARGLHSKL TGAGGGGCGI TLLKPGLEQP DATA SEQUENCE EVEATKQALT SCGFDCLETS IGAPGVSIHS ATSLDSRVQQ ALDG 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.872 176.870 0.004 0.000 1.165 2 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 2 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 3 S N -2.798 112.908 115.700 0.010 0.000 2.560 3 S HA 0.530 5.000 4.470 -0.000 0.000 0.283 3 S C 0.263 174.880 174.600 0.028 0.000 1.141 3 S CA -0.875 57.335 58.200 0.017 0.000 0.902 3 S CB 1.963 65.175 63.200 0.019 0.000 1.104 3 S HN 0.051 nan 8.310 nan 0.000 0.454 4 E N 1.266 121.485 120.200 0.031 0.000 1.999 4 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 4 E C 0.540 177.176 176.600 0.061 0.000 0.995 4 E CA 1.172 57.599 56.400 0.044 0.000 0.825 4 E CB -0.258 29.466 29.700 0.040 0.000 0.777 4 E HN 0.646 nan 8.360 nan 0.000 0.459 5 V N 3.015 122.966 119.914 0.062 0.000 2.644 5 V HA -0.101 4.019 4.120 -0.000 0.000 0.305 5 V C 0.551 176.691 176.094 0.077 0.000 1.053 5 V CA 0.706 63.050 62.300 0.073 0.000 1.186 5 V CB -0.182 31.678 31.823 0.060 0.000 0.895 5 V HN 0.140 nan 8.190 nan 0.000 0.490 6 L N 6.088 127.368 121.223 0.096 0.000 2.325 6 L HA 0.639 4.979 4.340 -0.000 0.000 0.278 6 L C -0.551 176.400 176.870 0.135 0.000 1.023 6 L CA -0.562 54.349 54.840 0.119 0.000 0.811 6 L CB 1.597 43.743 42.059 0.144 0.000 1.249 6 L HN 0.463 nan 8.230 nan 0.000 0.431 7 L N 4.480 125.801 121.223 0.163 0.000 2.372 7 L HA 0.629 4.969 4.340 -0.000 0.000 0.274 7 L C -0.486 176.552 176.870 0.279 0.000 0.988 7 L CA -0.853 54.097 54.840 0.183 0.000 0.833 7 L CB 1.841 43.983 42.059 0.137 0.000 1.236 7 L HN 0.348 nan 8.230 nan 0.000 0.410 8 V N 0.165 120.250 119.914 0.285 0.000 2.769 8 V HA 0.964 5.084 4.120 -0.000 0.000 0.312 8 V C -0.111 176.140 176.094 0.261 0.000 1.061 8 V CA -0.504 62.004 62.300 0.346 0.000 0.931 8 V CB 1.825 33.842 31.823 0.324 0.000 1.010 8 V HN 0.813 nan 8.190 nan 0.000 0.433 9 S N 2.122 117.963 115.700 0.236 0.000 2.540 9 S HA 0.973 5.443 4.470 -0.000 0.000 0.275 9 S C -0.550 174.047 174.600 -0.005 0.000 1.123 9 S CA -0.098 58.098 58.200 -0.006 0.000 0.907 9 S CB 1.719 64.795 63.200 -0.206 0.000 1.081 9 S HN 2.304 nan 8.310 nan 0.000 0.476 10 A N 2.497 125.241 122.820 -0.127 0.000 2.479 10 A HA 1.032 5.352 4.320 -0.000 0.000 0.296 10 A C -3.092 174.411 177.584 -0.135 0.000 1.121 10 A CA -2.027 49.962 52.037 -0.081 0.000 0.743 10 A CB 1.648 20.611 19.000 -0.060 0.000 1.323 10 A HN 0.673 nan 8.150 nan 0.000 0.415 11 P HA 0.475 nan 4.420 nan 0.000 0.285 11 P C 0.145 177.407 177.300 -0.063 0.000 1.280 11 P CA -0.099 62.955 63.100 -0.077 0.000 0.862 11 P CB 1.728 33.410 31.700 -0.031 0.000 1.153 12 G N 0.599 109.361 108.800 -0.064 0.000 2.535 12 G HA2 0.443 4.403 3.960 -0.000 0.000 0.282 12 G HA3 0.443 4.403 3.960 -0.000 0.000 0.282 12 G C -0.659 174.222 174.900 -0.031 0.000 1.350 12 G CA -0.266 44.803 45.100 -0.052 0.000 1.039 12 G HN 0.630 nan 8.290 nan 0.000 0.509 13 K N -0.983 119.399 120.400 -0.030 0.000 2.535 13 K HA 0.472 4.792 4.320 -0.000 0.000 0.250 13 K C -1.103 175.479 176.600 -0.030 0.000 0.948 13 K CA -0.578 55.696 56.287 -0.022 0.000 0.796 13 K CB 1.708 34.201 32.500 -0.012 0.000 1.216 13 K HN 0.675 nan 8.250 nan 0.000 0.432 14 V N 1.332 121.227 119.914 -0.031 0.000 2.960 14 V HA 0.652 4.772 4.120 -0.000 0.000 0.315 14 V C -0.045 176.023 176.094 -0.044 0.000 1.087 14 V CA -1.112 61.163 62.300 -0.042 0.000 0.982 14 V CB 1.638 33.431 31.823 -0.050 0.000 1.039 14 V HN 0.668 nan 8.190 nan 0.000 0.437 15 I N 2.360 122.898 120.570 -0.053 0.000 2.396 15 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 15 I C 0.671 176.720 176.117 -0.115 0.000 0.999 15 I CA -0.329 60.937 61.300 -0.057 0.000 1.310 15 I CB 1.720 39.697 38.000 -0.039 0.000 1.404 15 I HN 0.664 nan 8.210 nan 0.000 0.496 16 L N 5.541 126.662 121.223 -0.168 0.000 2.316 16 L HA 0.317 4.657 4.340 -0.000 0.000 0.207 16 L C 0.014 176.459 176.870 -0.708 0.000 1.070 16 L CA 1.424 56.028 54.840 -0.393 0.000 0.820 16 L CB 0.050 41.897 42.059 -0.353 0.000 0.992 16 L HN 0.527 nan 8.230 nan 0.000 0.466 17 H N -2.185 116.872 119.070 -0.022 0.000 3.079 17 H HA 0.544 5.100 4.556 -0.000 0.000 0.356 17 H C 0.396 175.710 175.328 -0.024 0.000 1.221 17 H CA -0.388 55.644 56.048 -0.027 0.000 1.185 17 H CB 1.426 31.163 29.762 -0.043 0.000 1.882 17 H HN -0.012 nan 8.280 nan 0.000 0.543 18 G N 1.606 110.473 108.800 0.111 0.000 2.259 18 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 18 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 18 G C 1.081 176.004 174.900 0.039 0.000 1.001 18 G CA 0.752 45.879 45.100 0.045 0.000 0.627 18 G HN 0.526 nan 8.290 nan 0.000 0.501 19 E N 0.008 120.229 120.200 0.035 0.000 2.571 19 E HA -0.300 4.050 4.350 -0.000 0.000 0.249 19 E C 1.770 178.326 176.600 -0.072 0.000 1.061 19 E CA 2.436 58.834 56.400 -0.003 0.000 1.264 19 E CB -0.574 29.165 29.700 0.065 0.000 1.145 19 E HN 0.778 nan 8.360 nan 0.000 0.484 20 H N -2.532 116.567 119.070 0.049 0.000 2.729 20 H HA 0.418 4.974 4.556 -0.000 0.000 0.263 20 H C 1.849 177.236 175.328 0.099 0.000 0.961 20 H CA 0.550 56.639 56.048 0.069 0.000 1.217 20 H CB 0.361 30.174 29.762 0.086 0.000 1.447 20 H HN 0.230 nan 8.280 nan 0.000 0.496 21 A N 1.565 124.494 122.820 0.183 0.000 1.908 21 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 21 A C 2.608 180.237 177.584 0.074 0.000 1.181 21 A CA 1.974 54.100 52.037 0.150 0.000 0.627 21 A CB -1.016 18.033 19.000 0.082 0.000 0.818 21 A HN 0.235 nan 8.150 nan 0.000 0.445 22 V N -1.243 118.651 119.914 -0.034 0.000 2.236 22 V HA -0.347 3.773 4.120 -0.000 0.000 0.255 22 V C 2.140 178.144 176.094 -0.150 0.000 1.068 22 V CA 2.477 64.684 62.300 -0.155 0.000 1.044 22 V CB -2.007 29.680 31.823 -0.226 0.000 0.653 22 V HN 0.281 nan 8.190 nan 0.000 0.448 23 V N 0.480 120.303 119.914 -0.152 0.000 2.909 23 V HA -0.238 3.882 4.120 -0.000 0.000 0.265 23 V C 2.008 177.814 176.094 -0.479 0.000 1.128 23 V CA 2.334 64.464 62.300 -0.283 0.000 1.149 23 V CB -1.552 30.083 31.823 -0.314 0.000 0.725 23 V HN 0.806 nan 8.190 nan 0.000 0.511 24 H N -1.073 117.995 119.070 -0.003 0.000 2.662 24 H HA 0.402 4.958 4.556 -0.000 0.000 0.268 24 H C 1.674 177.006 175.328 0.007 0.000 1.152 24 H CA 0.758 56.812 56.048 0.009 0.000 1.072 24 H CB 0.930 30.706 29.762 0.022 0.000 1.660 24 H HN 0.448 nan 8.280 nan 0.000 0.584 25 G N 1.300 110.129 108.800 0.048 0.000 2.179 25 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 25 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 25 G C 0.218 175.161 174.900 0.072 0.000 0.990 25 G CA -0.404 44.744 45.100 0.081 0.000 0.646 25 G HN 0.066 nan 8.290 nan 0.000 0.517 26 K N 0.189 120.561 120.400 -0.046 0.000 2.132 26 K HA 0.726 5.046 4.320 -0.000 0.000 0.241 26 K C 0.503 176.847 176.600 -0.426 0.000 1.000 26 K CA -0.763 55.424 56.287 -0.167 0.000 0.911 26 K CB 1.520 33.981 32.500 -0.064 0.000 1.093 26 K HN 0.154 nan 8.250 nan 0.000 0.460 27 V N 0.980 120.616 119.914 -0.463 0.000 2.498 27 V HA 0.465 4.585 4.120 -0.000 0.000 0.279 27 V C 0.099 176.072 176.094 -0.201 0.000 1.048 27 V CA -0.720 61.303 62.300 -0.461 0.000 0.967 27 V CB 0.997 32.611 31.823 -0.348 0.000 0.988 27 V HN 0.817 nan 8.190 nan 0.000 0.473 28 A N 5.599 128.332 122.820 -0.145 0.000 2.386 28 A HA 0.853 5.173 4.320 -0.000 0.000 0.311 28 A C -0.942 176.659 177.584 0.027 0.000 1.068 28 A CA -0.668 51.351 52.037 -0.030 0.000 0.743 28 A CB 1.198 20.188 19.000 -0.018 0.000 1.258 28 A HN 0.778 nan 8.150 nan 0.000 0.429 29 L N 2.074 123.322 121.223 0.042 0.000 2.265 29 L HA 0.618 4.958 4.340 -0.000 0.000 0.289 29 L C 0.400 177.280 176.870 0.017 0.000 1.033 29 L CA -0.416 54.446 54.840 0.037 0.000 0.814 29 L CB 1.503 43.589 42.059 0.046 0.000 1.203 29 L HN 0.800 nan 8.230 nan 0.000 0.423 30 A N 4.308 127.149 122.820 0.035 0.000 2.288 30 A HA 0.744 5.064 4.320 -0.000 0.000 0.320 30 A C -0.374 177.219 177.584 0.015 0.000 1.217 30 A CA -0.534 51.516 52.037 0.022 0.000 0.840 30 A CB 1.339 20.364 19.000 0.041 0.000 1.179 30 A HN 0.520 nan 8.150 nan 0.000 0.504 31 V N 1.129 121.041 119.914 -0.003 0.000 2.680 31 V HA 0.793 4.913 4.120 -0.000 0.000 0.309 31 V C 0.241 176.338 176.094 0.005 0.000 1.052 31 V CA -0.442 61.859 62.300 0.002 0.000 0.908 31 V CB 1.195 33.009 31.823 -0.016 0.000 1.001 31 V HN 1.134 nan 8.190 nan 0.000 0.431 32 S N 4.455 120.167 115.700 0.020 0.000 2.549 32 S HA 0.402 4.872 4.470 -0.000 0.000 0.286 32 S C -0.306 174.295 174.600 0.003 0.000 1.314 32 S CA -0.440 57.771 58.200 0.017 0.000 1.062 32 S CB 0.533 63.754 63.200 0.034 0.000 0.865 32 S HN 0.993 nan 8.310 nan 0.000 0.498 33 L N 2.551 123.768 121.223 -0.010 0.000 2.298 33 L HA 0.378 4.718 4.340 -0.000 0.000 0.284 33 L C 0.052 176.909 176.870 -0.021 0.000 1.013 33 L CA -0.575 54.255 54.840 -0.017 0.000 0.824 33 L CB 1.128 43.169 42.059 -0.030 0.000 1.221 33 L HN 0.790 nan 8.230 nan 0.000 0.418 34 N N 4.326 123.022 118.700 -0.006 0.000 2.906 34 N HA 0.055 4.795 4.740 -0.000 0.000 0.282 34 N C -0.508 174.994 175.510 -0.013 0.000 1.293 34 N CA 0.093 53.142 53.050 -0.003 0.000 1.059 34 N CB -0.066 38.438 38.487 0.029 0.000 1.388 34 N HN 0.391 nan 8.380 nan 0.000 0.533 35 L N 1.916 123.110 121.223 -0.049 0.000 2.719 35 L HA 0.319 4.659 4.340 -0.000 0.000 0.236 35 L C 0.311 177.093 176.870 -0.146 0.000 1.221 35 L CA -0.211 54.586 54.840 -0.072 0.000 1.048 35 L CB -0.338 41.675 42.059 -0.076 0.000 1.364 35 L HN 0.224 nan 8.230 nan 0.000 0.447 36 R N 0.141 120.527 120.500 -0.190 0.000 2.861 36 R HA 0.227 4.567 4.340 -0.000 0.000 0.268 36 R C 0.075 176.024 176.300 -0.585 0.000 1.027 36 R CA 0.210 56.081 56.100 -0.382 0.000 1.163 36 R CB 0.312 30.313 30.300 -0.500 0.000 1.060 36 R HN 0.209 nan 8.270 nan 0.000 0.483 37 T N 2.369 116.575 114.554 -0.580 0.000 2.792 37 T HA 0.475 4.825 4.350 -0.000 0.000 0.280 37 T C -0.861 173.569 174.700 -0.449 0.000 0.990 37 T CA -0.512 61.333 62.100 -0.425 0.000 0.960 37 T CB 0.438 69.203 68.868 -0.173 0.000 0.939 37 T HN 0.234 nan 8.240 nan 0.000 0.439 38 F N 2.194 122.198 119.950 0.090 0.000 2.507 38 F HA 0.767 5.294 4.527 -0.000 0.000 0.327 38 F C -0.126 175.745 175.800 0.120 0.000 1.068 38 F CA -1.425 56.637 58.000 0.103 0.000 0.965 38 F CB 1.320 40.386 39.000 0.110 0.000 1.192 38 F HN 0.292 nan 8.300 nan 0.000 0.476 39 L N 2.304 123.703 121.223 0.293 0.000 2.431 39 L HA 0.607 4.947 4.340 -0.000 0.000 0.266 39 L C -1.023 175.944 176.870 0.162 0.000 0.978 39 L CA -0.763 54.197 54.840 0.202 0.000 0.822 39 L CB 2.062 44.230 42.059 0.182 0.000 1.310 39 L HN 0.780 nan 8.230 nan 0.000 0.409 40 R N 6.226 126.790 120.500 0.107 0.000 2.352 40 R HA 0.516 4.856 4.340 -0.000 0.000 0.304 40 R C -1.598 174.732 176.300 0.051 0.000 1.104 40 R CA -0.569 55.575 56.100 0.074 0.000 0.991 40 R CB 0.843 31.164 30.300 0.036 0.000 1.140 40 R HN 0.711 nan 8.270 nan 0.000 0.540 41 L N 2.058 123.324 121.223 0.072 0.000 2.334 41 L HA 0.642 4.982 4.340 -0.000 0.000 0.273 41 L C -1.310 175.602 176.870 0.070 0.000 1.013 41 L CA -0.801 54.073 54.840 0.056 0.000 0.816 41 L CB 2.022 44.133 42.059 0.088 0.000 1.278 41 L HN 0.659 nan 8.230 nan 0.000 0.431 42 Q N 1.729 121.563 119.800 0.058 0.000 2.275 42 Q HA 0.561 4.901 4.340 -0.000 0.000 0.258 42 Q C -2.879 173.233 176.000 0.187 0.000 0.960 42 Q CA -2.009 53.865 55.803 0.118 0.000 0.801 42 Q CB 1.567 30.396 28.738 0.151 0.000 1.302 42 Q HN 0.420 nan 8.270 nan 0.000 0.433 43 P HA -0.042 nan 4.420 nan 0.000 0.260 43 P C -1.045 176.443 177.300 0.313 0.000 1.172 43 P CA 0.737 63.952 63.100 0.192 0.000 0.760 43 P CB 0.308 32.084 31.700 0.127 0.000 0.773 44 H N 0.391 119.490 119.070 0.048 0.000 2.896 44 H HA 0.584 5.140 4.556 0.000 0.000 0.318 44 H C 0.582 175.932 175.328 0.036 0.000 1.409 44 H CA -0.615 55.455 56.048 0.036 0.000 1.328 44 H CB 1.399 31.180 29.762 0.031 0.000 1.940 44 H HN 0.236 nan 8.280 nan 0.000 0.665 45 S N -0.168 115.599 115.700 0.113 0.000 2.952 45 S HA 0.182 4.652 4.470 -0.000 0.000 0.251 45 S C -0.197 174.442 174.600 0.065 0.000 1.021 45 S CA -0.818 57.422 58.200 0.066 0.000 1.067 45 S CB -0.452 62.758 63.200 0.017 0.000 1.002 45 S HN 0.655 nan 8.310 nan 0.000 0.574 46 N N 0.254 119.016 118.700 0.103 0.000 2.381 46 N HA 0.406 5.146 4.740 -0.000 0.000 0.294 46 N C 0.507 176.066 175.510 0.083 0.000 1.216 46 N CA -0.447 52.651 53.050 0.080 0.000 0.803 46 N CB 1.100 39.636 38.487 0.082 0.000 1.372 46 N HN 0.068 nan 8.380 nan 0.000 0.500 47 G N 0.114 108.951 108.800 0.061 0.000 3.375 47 G HA2 0.021 3.981 3.960 -0.000 0.000 0.247 47 G HA3 0.021 3.981 3.960 -0.000 0.000 0.247 47 G C -0.199 174.732 174.900 0.050 0.000 1.343 47 G CA -0.006 45.129 45.100 0.059 0.000 1.368 47 G HN 0.358 nan 8.290 nan 0.000 0.549 48 K N 0.870 121.298 120.400 0.045 0.000 2.559 48 K HA 0.314 4.634 4.320 -0.000 0.000 0.249 48 K C -1.085 175.504 176.600 -0.017 0.000 0.958 48 K CA -0.589 55.701 56.287 0.005 0.000 0.901 48 K CB 2.357 34.848 32.500 -0.015 0.000 1.124 48 K HN -0.085 nan 8.250 nan 0.000 0.437 49 V N 3.819 123.730 119.914 -0.006 0.000 2.259 49 V HA 0.099 4.219 4.120 -0.000 0.000 0.267 49 V C -0.193 175.867 176.094 -0.056 0.000 1.051 49 V CA -0.751 61.541 62.300 -0.014 0.000 0.830 49 V CB 0.404 32.235 31.823 0.014 0.000 1.080 49 V HN 0.703 nan 8.190 nan 0.000 0.467 50 D N 3.948 124.256 120.400 -0.153 0.000 2.350 50 D HA 0.693 5.333 4.640 -0.000 0.000 0.238 50 D C -0.625 175.521 176.300 -0.256 0.000 0.989 50 D CA -0.724 53.118 54.000 -0.263 0.000 0.921 50 D CB 2.452 43.086 40.800 -0.278 0.000 1.297 50 D HN 0.377 nan 8.370 nan 0.000 0.490 51 L N 0.489 121.532 121.223 -0.301 0.000 2.370 51 L HA 0.691 5.031 4.340 -0.000 0.000 0.266 51 L C -1.214 175.539 176.870 -0.196 0.000 1.002 51 L CA -0.550 54.120 54.840 -0.283 0.000 0.818 51 L CB 1.988 43.827 42.059 -0.366 0.000 1.325 51 L HN 0.575 nan 8.230 nan 0.000 0.418 52 S N 3.925 119.534 115.700 -0.152 0.000 2.521 52 S HA 0.644 5.114 4.470 -0.000 0.000 0.295 52 S C -0.828 173.726 174.600 -0.077 0.000 1.098 52 S CA -0.637 57.501 58.200 -0.103 0.000 0.999 52 S CB 1.246 64.394 63.200 -0.086 0.000 1.034 52 S HN 0.618 nan 8.310 nan 0.000 0.483 53 L N 6.024 127.212 121.223 -0.058 0.000 2.599 53 L HA 0.367 4.707 4.340 -0.000 0.000 0.241 53 L C -2.011 174.857 176.870 -0.002 0.000 1.207 53 L CA -1.857 52.952 54.840 -0.053 0.000 0.987 53 L CB 1.060 43.078 42.059 -0.069 0.000 1.318 53 L HN 0.448 nan 8.230 nan 0.000 0.458 54 P HA -0.205 nan 4.420 nan 0.000 0.217 54 P C 0.902 178.283 177.300 0.136 0.000 1.148 54 P CA 1.572 64.727 63.100 0.093 0.000 0.834 54 P CB 0.075 31.860 31.700 0.142 0.000 0.783 55 N N -1.485 117.295 118.700 0.134 0.000 2.348 55 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 55 N C 1.013 176.536 175.510 0.023 0.000 1.019 55 N CA 0.737 53.825 53.050 0.062 0.000 0.880 55 N CB -0.271 38.181 38.487 -0.057 0.000 0.965 55 N HN 0.195 nan 8.380 nan 0.000 0.437 56 I N -2.217 118.360 120.570 0.013 0.000 3.971 56 I HA 0.240 4.410 4.170 -0.000 0.000 0.303 56 I C 1.110 177.231 176.117 0.006 0.000 1.233 56 I CA 0.237 61.538 61.300 0.002 0.000 1.346 56 I CB 0.495 38.487 38.000 -0.013 0.000 1.273 56 I HN 0.026 nan 8.210 nan 0.000 0.448 57 G N 2.497 111.300 108.800 0.006 0.000 2.270 57 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.224 57 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.224 57 G C 0.049 174.941 174.900 -0.014 0.000 1.079 57 G CA 0.134 45.233 45.100 -0.002 0.000 0.807 57 G HN 0.472 nan 8.290 nan 0.000 0.492 58 I N -2.982 117.576 120.570 -0.021 0.000 2.656 58 I HA 0.926 5.096 4.170 -0.000 0.000 0.292 58 I C -0.660 175.426 176.117 -0.051 0.000 1.144 58 I CA -1.577 59.706 61.300 -0.029 0.000 1.038 58 I CB 2.072 40.064 38.000 -0.013 0.000 1.244 58 I HN -0.065 nan 8.210 nan 0.000 0.420 59 K N 4.334 124.689 120.400 -0.075 0.000 2.352 59 K HA 0.814 5.134 4.320 -0.000 0.000 0.240 59 K C -1.088 175.403 176.600 -0.182 0.000 1.017 59 K CA -0.877 55.335 56.287 -0.124 0.000 0.851 59 K CB 1.879 34.302 32.500 -0.130 0.000 1.261 59 K HN 0.615 nan 8.250 nan 0.000 0.451 60 R N -0.190 120.117 120.500 -0.320 0.000 2.633 60 R HA 0.602 4.942 4.340 -0.000 0.000 0.256 60 R C -1.831 173.883 176.300 -0.977 0.000 1.131 60 R CA -0.651 55.090 56.100 -0.598 0.000 0.994 60 R CB 2.014 31.983 30.300 -0.552 0.000 1.261 60 R HN 0.752 nan 8.270 nan 0.000 0.446 61 A N 3.082 125.327 122.820 -0.957 0.000 2.355 61 A HA 0.744 5.064 4.320 -0.000 0.000 0.317 61 A C -1.488 175.573 177.584 -0.870 0.000 1.094 61 A CA -0.544 51.028 52.037 -0.774 0.000 0.764 61 A CB 1.102 19.880 19.000 -0.369 0.000 1.230 61 A HN 0.554 nan 8.150 nan 0.000 0.448 62 W N 1.967 123.265 121.300 -0.002 0.000 2.362 62 W HA 0.247 4.907 4.660 -0.000 0.000 0.316 62 W C -0.504 176.020 176.519 0.007 0.000 1.024 62 W CA -1.142 56.207 57.345 0.007 0.000 1.270 62 W CB 1.214 30.682 29.460 0.013 0.000 1.273 62 W HN 0.908 nan 8.180 nan 0.000 0.424 63 D N 1.688 122.172 120.400 0.140 0.000 2.662 63 D HA -0.054 4.586 4.640 -0.000 0.000 0.233 63 D C 1.495 177.873 176.300 0.131 0.000 1.129 63 D CA 0.464 54.525 54.000 0.101 0.000 0.851 63 D CB 1.499 42.344 40.800 0.077 0.000 1.152 63 D HN 0.203 nan 8.370 nan 0.000 0.507 64 V N 3.291 123.274 119.914 0.115 0.000 2.324 64 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 64 V C 2.032 178.190 176.094 0.107 0.000 1.060 64 V CA 2.090 64.468 62.300 0.130 0.000 1.042 64 V CB -1.252 30.640 31.823 0.115 0.000 0.650 64 V HN 0.613 nan 8.190 nan 0.000 0.450 65 A N 0.511 123.380 122.820 0.081 0.000 1.933 65 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 65 A C 2.385 180.009 177.584 0.067 0.000 1.175 65 A CA 1.815 53.890 52.037 0.063 0.000 0.628 65 A CB -0.641 18.389 19.000 0.050 0.000 0.814 65 A HN 0.607 nan 8.150 nan 0.000 0.444 66 R N -0.846 119.703 120.500 0.083 0.000 2.237 66 R HA 0.056 4.396 4.340 -0.000 0.000 0.219 66 R C 1.540 177.892 176.300 0.087 0.000 1.080 66 R CA 0.900 57.051 56.100 0.086 0.000 0.995 66 R CB -0.229 30.138 30.300 0.111 0.000 0.875 66 R HN 0.514 nan 8.270 nan 0.000 0.462 67 L N -0.973 120.310 121.223 0.100 0.000 2.356 67 L HA 0.009 4.349 4.340 -0.000 0.000 0.193 67 L C 2.548 179.450 176.870 0.053 0.000 1.087 67 L CA 0.402 55.298 54.840 0.093 0.000 0.817 67 L CB -0.554 41.603 42.059 0.165 0.000 1.035 67 L HN 0.112 nan 8.230 nan 0.000 0.482 68 Q N 0.743 120.575 119.800 0.053 0.000 2.077 68 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 68 Q C 2.062 178.064 176.000 0.004 0.000 0.989 68 Q CA 2.497 58.306 55.803 0.010 0.000 0.853 68 Q CB -0.062 28.685 28.738 0.016 0.000 0.907 68 Q HN 0.484 nan 8.270 nan 0.000 0.418 69 S N 0.050 115.763 115.700 0.021 0.000 2.595 69 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 69 S C 1.482 176.096 174.600 0.024 0.000 0.974 69 S CA 0.270 58.481 58.200 0.020 0.000 0.942 69 S CB -0.152 63.064 63.200 0.026 0.000 0.766 69 S HN 0.452 nan 8.310 nan 0.000 0.536 70 L N 2.216 123.455 121.223 0.026 0.000 2.749 70 L HA 0.102 4.442 4.340 -0.000 0.000 0.245 70 L C -0.260 176.636 176.870 0.043 0.000 1.156 70 L CA 0.734 55.597 54.840 0.039 0.000 0.890 70 L CB -1.357 40.729 42.059 0.044 0.000 1.036 70 L HN 0.177 nan 8.230 nan 0.000 0.441 71 D N -0.326 120.086 120.400 0.021 0.000 2.782 71 D HA -0.215 4.425 4.640 -0.000 0.000 0.231 71 D C 0.331 176.650 176.300 0.032 0.000 1.163 71 D CA 1.300 55.312 54.000 0.020 0.000 0.680 71 D CB -1.885 38.935 40.800 0.034 0.000 1.062 71 D HN 0.625 nan 8.370 nan 0.000 0.425 72 T N -1.979 112.568 114.554 -0.012 0.000 2.961 72 T HA 0.355 4.705 4.350 -0.000 0.000 0.270 72 T C 0.321 174.840 174.700 -0.301 0.000 0.926 72 T CA -0.484 61.554 62.100 -0.104 0.000 1.112 72 T CB 0.607 69.349 68.868 -0.210 0.000 0.926 72 T HN -0.014 nan 8.240 nan 0.000 0.612 73 S N 3.235 118.831 115.700 -0.175 0.000 2.389 73 S HA 0.521 4.991 4.470 -0.000 0.000 0.201 73 S C -0.272 174.310 174.600 -0.030 0.000 1.422 73 S CA -0.930 57.167 58.200 -0.172 0.000 1.216 73 S CB -0.161 63.010 63.200 -0.049 0.000 1.130 73 S HN 0.858 nan 8.310 nan 0.000 0.465 74 F N -1.107 118.817 119.950 -0.043 0.000 3.064 74 F HA 0.424 4.951 4.527 0.000 0.000 0.406 74 F C -0.628 175.153 175.800 -0.031 0.000 1.027 74 F CA -0.617 57.364 58.000 -0.031 0.000 0.960 74 F CB -0.577 38.405 39.000 -0.030 0.000 1.418 74 F HN 0.221 nan 8.300 nan 0.000 0.536 82 T N 2.370 116.968 114.554 0.074 0.000 2.895 82 T HA 0.693 5.043 4.350 -0.000 0.000 0.283 82 T C -2.484 172.265 174.700 0.081 0.000 1.014 82 T CA -1.812 60.327 62.100 0.066 0.000 1.037 82 T CB 0.794 69.687 68.868 0.041 0.000 1.006 82 T HN 0.453 nan 8.240 nan 0.000 0.468 83 P HA 0.227 nan 4.420 nan 0.000 0.271 83 P C -0.326 177.008 177.300 0.056 0.000 1.216 83 P CA -0.207 62.946 63.100 0.089 0.000 0.776 83 P CB 0.473 32.142 31.700 -0.051 0.000 0.881 84 T N -2.225 112.374 114.554 0.075 0.000 2.952 84 T HA 0.283 4.633 4.350 -0.000 0.000 0.286 84 T C 1.320 176.016 174.700 -0.008 0.000 1.024 84 T CA -0.185 61.929 62.100 0.023 0.000 1.029 84 T CB 0.824 69.700 68.868 0.013 0.000 1.094 84 T HN 0.355 nan 8.240 nan 0.000 0.515 85 S N -0.325 115.360 115.700 -0.025 0.000 2.489 85 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 85 S C 1.568 176.131 174.600 -0.063 0.000 0.995 85 S CA 0.494 58.671 58.200 -0.037 0.000 0.934 85 S CB -0.496 62.685 63.200 -0.032 0.000 0.771 85 S HN 0.817 nan 8.310 nan 0.000 0.522 86 E N 1.225 121.376 120.200 -0.082 0.000 2.158 86 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 86 E C 2.029 178.490 176.600 -0.233 0.000 0.982 86 E CA 0.615 56.930 56.400 -0.142 0.000 0.823 86 E CB -0.053 29.561 29.700 -0.143 0.000 0.766 86 E HN 0.713 nan 8.360 nan 0.000 0.468 87 Q N -0.065 119.623 119.800 -0.187 0.000 2.062 87 Q HA -0.055 4.285 4.340 -0.000 0.000 0.196 87 Q C 2.319 178.270 176.000 -0.081 0.000 0.967 87 Q CA 1.133 56.815 55.803 -0.201 0.000 0.832 87 Q CB 0.166 28.931 28.738 0.046 0.000 0.899 87 Q HN 0.134 nan 8.270 nan 0.000 0.442 88 V N 1.505 121.404 119.914 -0.025 0.000 2.568 88 V HA -0.273 3.847 4.120 -0.000 0.000 0.253 88 V C 2.110 178.174 176.094 -0.051 0.000 1.072 88 V CA 1.954 64.244 62.300 -0.017 0.000 1.084 88 V CB -0.530 31.278 31.823 -0.025 0.000 0.676 88 V HN 0.367 nan 8.190 nan 0.000 0.469 89 E N 0.785 120.935 120.200 -0.082 0.000 1.998 89 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 89 E C 2.134 178.676 176.600 -0.097 0.000 1.003 89 E CA 1.680 58.026 56.400 -0.089 0.000 0.829 89 E CB -0.258 29.375 29.700 -0.112 0.000 0.777 89 E HN 0.320 nan 8.360 nan 0.000 0.460 90 K N 0.130 120.435 120.400 -0.158 0.000 2.001 90 K HA -0.166 4.154 4.320 -0.000 0.000 0.223 90 K C 2.023 178.585 176.600 -0.064 0.000 1.055 90 K CA 1.773 57.977 56.287 -0.138 0.000 0.965 90 K CB -0.900 31.437 32.500 -0.273 0.000 0.730 90 K HN 0.183 nan 8.250 nan 0.000 0.449 91 L N 0.920 122.118 121.223 -0.041 0.000 2.137 91 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 91 L C 2.162 178.985 176.870 -0.079 0.000 1.085 91 L CA 1.794 56.607 54.840 -0.045 0.000 0.760 91 L CB -0.821 41.237 42.059 -0.001 0.000 0.893 91 L HN 0.326 nan 8.230 nan 0.000 0.434 92 K N -0.213 120.152 120.400 -0.058 0.000 2.155 92 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 92 K C 1.853 178.427 176.600 -0.043 0.000 1.052 92 K CA 0.770 57.026 56.287 -0.051 0.000 0.948 92 K CB 0.169 32.647 32.500 -0.037 0.000 0.728 92 K HN 0.367 nan 8.250 nan 0.000 0.448 93 E N 0.153 120.328 120.200 -0.041 0.000 2.358 93 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 93 E C 1.142 177.733 176.600 -0.016 0.000 1.010 93 E CA 0.795 57.181 56.400 -0.023 0.000 0.856 93 E CB 0.431 30.117 29.700 -0.023 0.000 0.795 93 E HN 0.159 nan 8.360 nan 0.000 0.504 94 V N -2.860 117.025 119.914 -0.048 0.000 3.249 94 V HA 0.460 4.580 4.120 -0.000 0.000 0.338 94 V C 0.701 176.702 176.094 -0.154 0.000 1.363 94 V CA 0.242 62.508 62.300 -0.057 0.000 1.205 94 V CB -0.022 31.763 31.823 -0.065 0.000 1.164 94 V HN 0.102 nan 8.190 nan 0.000 0.458 95 A N 0.845 123.602 122.820 -0.106 0.000 3.110 95 A HA 0.820 5.140 4.320 -0.000 0.000 0.206 95 A C 1.453 179.133 177.584 0.161 0.000 2.150 95 A CA 0.270 52.253 52.037 -0.091 0.000 1.708 95 A CB -0.438 18.504 19.000 -0.098 0.000 1.207 95 A HN 1.800 nan 8.150 nan 0.000 0.367 96 G N -0.673 108.205 108.800 0.130 0.000 2.932 96 G HA2 0.128 4.088 3.960 -0.000 0.000 0.180 96 G HA3 0.128 4.088 3.960 -0.000 0.000 0.180 96 G C -0.566 174.419 174.900 0.142 0.000 1.072 96 G CA -0.057 45.126 45.100 0.139 0.000 0.997 96 G HN 0.592 nan 8.290 nan 0.000 0.541 97 L N 0.633 121.921 121.223 0.107 0.000 2.358 97 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 97 L C -1.128 175.777 176.870 0.058 0.000 1.032 97 L CA -2.446 52.448 54.840 0.090 0.000 0.805 97 L CB 0.514 42.626 42.059 0.088 0.000 1.253 97 L HN 0.117 nan 8.230 nan 0.000 0.452 98 P HA 0.002 nan 4.420 nan 0.000 0.267 98 P C -0.452 176.865 177.300 0.029 0.000 1.201 98 P CA -0.137 62.983 63.100 0.034 0.000 0.775 98 P CB 0.543 32.261 31.700 0.029 0.000 0.854 99 D N 0.486 120.900 120.400 0.023 0.000 2.127 99 D HA -0.188 4.452 4.640 -0.000 0.000 0.190 99 D C 1.332 177.643 176.300 0.018 0.000 1.000 99 D CA 1.698 55.709 54.000 0.019 0.000 0.839 99 D CB -0.292 40.517 40.800 0.015 0.000 0.955 99 D HN 0.462 nan 8.370 nan 0.000 0.446 100 D N -0.855 119.555 120.400 0.017 0.000 2.201 100 D HA -0.047 4.593 4.640 -0.000 0.000 0.209 100 D C 0.746 177.057 176.300 0.020 0.000 0.961 100 D CA 0.427 54.436 54.000 0.016 0.000 0.861 100 D CB -0.123 40.685 40.800 0.014 0.000 0.997 100 D HN 0.161 nan 8.370 nan 0.000 0.486 101 C N 1.395 120.709 119.300 0.023 0.000 3.514 101 C HA -0.131 4.329 4.460 -0.000 0.000 0.286 101 C C 1.598 176.603 174.990 0.025 0.000 1.302 101 C CA 0.361 59.397 59.018 0.029 0.000 2.239 101 C CB -2.319 25.444 27.740 0.038 0.000 1.429 101 C HN 0.605 nan 8.230 nan 0.000 0.565 102 A N 0.656 123.488 122.820 0.020 0.000 5.328 102 A HA -0.253 4.067 4.320 -0.000 0.000 0.346 102 A C 1.585 179.180 177.584 0.017 0.000 1.675 102 A CA 3.841 55.888 52.037 0.016 0.000 0.717 102 A CB -1.657 17.352 19.000 0.015 0.000 1.467 102 A HN 2.297 nan 8.150 nan 0.000 0.409 103 V N -5.387 114.537 119.914 0.017 0.000 3.079 103 V HA 0.159 4.279 4.120 -0.000 0.000 0.232 103 V C 1.825 177.931 176.094 0.021 0.000 1.594 103 V CA 1.519 63.829 62.300 0.018 0.000 1.153 103 V CB -0.596 31.237 31.823 0.016 0.000 1.049 103 V HN 1.875 nan 8.190 nan 0.000 0.448 104 T N -1.517 113.049 114.554 0.019 0.000 2.896 104 T HA -0.053 4.296 4.350 -0.000 0.000 0.263 104 T C 1.688 176.406 174.700 0.030 0.000 1.050 104 T CA 1.707 63.820 62.100 0.020 0.000 1.140 104 T CB -0.127 68.744 68.868 0.005 0.000 0.877 104 T HN 0.613 nan 8.240 nan 0.000 0.457 105 E N 1.495 121.713 120.200 0.029 0.000 2.049 105 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 105 E C 2.504 179.146 176.600 0.071 0.000 1.007 105 E CA 1.369 57.797 56.400 0.047 0.000 0.809 105 E CB -0.178 29.549 29.700 0.045 0.000 0.749 105 E HN 0.585 nan 8.360 nan 0.000 0.450 106 R N 0.207 120.740 120.500 0.055 0.000 2.120 106 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 106 R C 2.372 178.698 176.300 0.042 0.000 1.123 106 R CA 1.216 57.347 56.100 0.050 0.000 0.975 106 R CB -0.178 30.141 30.300 0.032 0.000 0.866 106 R HN 0.251 nan 8.270 nan 0.000 0.446 107 L N -0.028 121.218 121.223 0.037 0.000 2.131 107 L HA 0.038 4.378 4.340 -0.000 0.000 0.206 107 L C 2.630 179.546 176.870 0.077 0.000 1.087 107 L CA 0.998 55.852 54.840 0.022 0.000 0.767 107 L CB -0.395 41.666 42.059 0.004 0.000 0.917 107 L HN 0.324 nan 8.230 nan 0.000 0.441 108 A N -0.533 122.370 122.820 0.138 0.000 2.015 108 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 108 A C 2.248 180.016 177.584 0.306 0.000 1.163 108 A CA 1.248 53.462 52.037 0.296 0.000 0.646 108 A CB -0.488 18.609 19.000 0.162 0.000 0.806 108 A HN 0.195 nan 8.150 nan 0.000 0.448 109 V N 0.056 120.090 119.914 0.200 0.000 2.302 109 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 109 V C 2.474 178.615 176.094 0.080 0.000 1.036 109 V CA 1.740 64.155 62.300 0.193 0.000 1.020 109 V CB -0.869 31.044 31.823 0.150 0.000 0.657 109 V HN 0.560 nan 8.190 nan 0.000 0.453 110 L N 0.361 121.596 121.223 0.021 0.000 2.187 110 L HA -0.167 4.173 4.340 -0.000 0.000 0.213 110 L C 2.675 179.545 176.870 -0.001 0.000 1.100 110 L CA 1.357 56.182 54.840 -0.025 0.000 0.765 110 L CB -0.862 41.178 42.059 -0.031 0.000 0.904 110 L HN 0.370 nan 8.230 nan 0.000 0.437 111 A N 0.430 123.261 122.820 0.017 0.000 1.841 111 A HA -0.255 4.065 4.320 -0.000 0.000 0.214 111 A C 2.160 179.758 177.584 0.024 0.000 1.195 111 A CA 1.597 53.617 52.037 -0.029 0.000 0.611 111 A CB -0.888 18.071 19.000 -0.070 0.000 0.835 111 A HN 0.371 nan 8.150 nan 0.000 0.443 112 F N 0.782 120.709 119.950 -0.038 0.000 2.046 112 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 112 F C 1.925 177.723 175.800 -0.003 0.000 1.123 112 F CA 1.637 59.632 58.000 -0.010 0.000 1.199 112 F CB -0.555 38.497 39.000 0.087 0.000 0.972 112 F HN 0.113 nan 8.300 nan 0.000 0.474 113 L N -0.278 120.676 121.223 -0.449 0.000 2.051 113 L HA -0.298 4.042 4.340 -0.000 0.000 0.214 113 L C 2.460 179.139 176.870 -0.318 0.000 1.076 113 L CA 2.348 56.852 54.840 -0.560 0.000 0.758 113 L CB -1.825 39.985 42.059 -0.415 0.000 0.890 113 L HN 0.419 nan 8.230 nan 0.000 0.433 114 Y N -0.210 119.931 120.300 -0.264 0.000 2.163 114 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 114 Y C 2.476 178.229 175.900 -0.245 0.000 1.136 114 Y CA 1.396 59.382 58.100 -0.191 0.000 1.147 114 Y CB -0.034 38.347 38.460 -0.131 0.000 0.987 114 Y HN -0.016 nan 8.280 nan 0.000 0.509 115 L N -0.754 120.440 121.223 -0.049 0.000 2.072 115 L HA -0.211 4.129 4.340 -0.000 0.000 0.205 115 L C 2.289 178.945 176.870 -0.357 0.000 1.079 115 L CA 1.791 56.501 54.840 -0.216 0.000 0.752 115 L CB -1.951 40.029 42.059 -0.132 0.000 0.906 115 L HN 0.363 nan 8.230 nan 0.000 0.436 116 Y N 1.190 121.195 120.300 -0.491 0.000 1.993 116 Y HA -0.312 4.238 4.550 -0.000 0.000 0.267 116 Y C 2.590 178.241 175.900 -0.415 0.000 1.155 116 Y CA 1.824 59.628 58.100 -0.494 0.000 1.105 116 Y CB -0.623 37.322 38.460 -0.860 0.000 0.960 116 Y HN -0.001 nan 8.280 nan 0.000 0.486 117 L N -0.774 120.157 121.223 -0.487 0.000 1.956 117 L HA -0.329 4.011 4.340 -0.000 0.000 0.216 117 L C 2.521 179.059 176.870 -0.553 0.000 1.073 117 L CA 1.853 56.382 54.840 -0.518 0.000 0.762 117 L CB -1.355 40.489 42.059 -0.360 0.000 0.889 117 L HN 0.203 nan 8.230 nan 0.000 0.433 118 S N 0.396 115.737 115.700 -0.598 0.000 2.393 118 S HA -0.260 4.210 4.470 -0.000 0.000 0.235 118 S C 1.879 176.140 174.600 -0.565 0.000 1.061 118 S CA 2.167 60.002 58.200 -0.608 0.000 1.129 118 S CB -0.559 62.177 63.200 -0.773 0.000 1.011 118 S HN 0.300 nan 8.310 nan 0.000 0.436 119 I N 0.861 121.023 120.570 -0.679 0.000 2.162 119 I HA -0.159 4.011 4.170 -0.000 0.000 0.238 119 I C 2.301 178.188 176.117 -0.383 0.000 1.076 119 I CA 0.882 61.833 61.300 -0.581 0.000 1.353 119 I CB -0.627 36.994 38.000 -0.631 0.000 1.063 119 I HN 0.332 nan 8.210 nan 0.000 0.408 120 C N 0.807 119.839 119.300 -0.447 0.000 2.430 120 C HA -0.101 4.359 4.460 -0.000 0.000 0.288 120 C C 2.811 177.604 174.990 -0.329 0.000 1.448 120 C CA 0.356 59.137 59.018 -0.394 0.000 1.784 120 C CB -1.724 25.646 27.740 -0.617 0.000 1.776 120 C HN 0.426 nan 8.230 nan 0.000 0.547 121 R N 2.037 122.329 120.500 -0.347 0.000 2.115 121 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 121 R C 2.055 178.243 176.300 -0.186 0.000 1.133 121 R CA 1.940 57.872 56.100 -0.280 0.000 0.935 121 R CB -0.214 29.908 30.300 -0.297 0.000 0.853 121 R HN 0.578 nan 8.270 nan 0.000 0.433 122 K N 0.234 120.547 120.400 -0.145 0.000 2.442 122 K HA -0.157 4.163 4.320 -0.000 0.000 0.198 122 K C 0.929 177.482 176.600 -0.077 0.000 1.044 122 K CA 0.522 56.758 56.287 -0.086 0.000 0.948 122 K CB -0.145 32.329 32.500 -0.043 0.000 0.762 122 K HN 0.181 nan 8.250 nan 0.000 0.472 123 Q N 0.874 120.612 119.800 -0.103 0.000 2.368 123 Q HA 0.038 4.378 4.340 -0.000 0.000 0.237 123 Q C 0.958 176.917 176.000 -0.067 0.000 0.987 123 Q CA -0.154 55.601 55.803 -0.080 0.000 0.896 123 Q CB 0.844 29.523 28.738 -0.100 0.000 1.241 123 Q HN -0.058 nan 8.270 nan 0.000 0.485 124 R N 1.227 121.702 120.500 -0.042 0.000 2.133 124 R HA -0.101 4.239 4.340 -0.000 0.000 0.245 124 R C -0.186 176.094 176.300 -0.034 0.000 1.137 124 R CA 1.708 57.790 56.100 -0.030 0.000 0.947 124 R CB -0.971 29.320 30.300 -0.014 0.000 0.865 124 R HN 0.624 nan 8.270 nan 0.000 0.437 125 A N -0.291 122.508 122.820 -0.034 0.000 2.594 125 A HA 0.518 4.838 4.320 -0.000 0.000 0.295 125 A C -0.690 176.871 177.584 -0.038 0.000 1.071 125 A CA -0.773 51.247 52.037 -0.029 0.000 0.685 125 A CB 1.111 20.110 19.000 -0.002 0.000 1.285 125 A HN 0.117 nan 8.150 nan 0.000 0.405 126 L N 2.685 123.885 121.223 -0.038 0.000 2.490 126 L HA 0.247 4.587 4.340 -0.000 0.000 0.274 126 L C -1.624 175.292 176.870 0.078 0.000 1.201 126 L CA -0.972 53.845 54.840 -0.038 0.000 0.869 126 L CB 0.286 42.359 42.059 0.024 0.000 1.123 126 L HN 0.556 nan 8.230 nan 0.000 0.484 127 P HA 0.097 nan 4.420 nan 0.000 0.281 127 P C -0.783 176.663 177.300 0.243 0.000 1.249 127 P CA -0.480 62.723 63.100 0.171 0.000 0.810 127 P CB 1.682 33.473 31.700 0.152 0.000 1.008 128 S N 2.052 117.856 115.700 0.173 0.000 2.525 128 S HA 0.688 5.158 4.470 -0.000 0.000 0.278 128 S C -0.570 174.105 174.600 0.124 0.000 1.234 128 S CA -0.384 57.905 58.200 0.148 0.000 1.058 128 S CB -0.736 62.556 63.200 0.153 0.000 0.983 128 S HN 0.391 nan 8.310 nan 0.000 0.495 129 L N 1.521 122.754 121.223 0.017 0.000 2.789 129 L HA 0.581 4.921 4.340 -0.000 0.000 0.254 129 L C -1.481 175.260 176.870 -0.215 0.000 0.952 129 L CA -0.879 53.904 54.840 -0.095 0.000 0.942 129 L CB 1.024 43.117 42.059 0.056 0.000 1.502 129 L HN 0.499 nan 8.230 nan 0.000 0.425 130 D N 1.523 121.715 120.400 -0.348 0.000 2.349 130 D HA 0.698 5.338 4.640 -0.000 0.000 0.232 130 D C -1.041 175.167 176.300 -0.153 0.000 1.071 130 D CA 0.097 53.933 54.000 -0.274 0.000 0.832 130 D CB 0.991 41.590 40.800 -0.334 0.000 1.086 130 D HN 0.655 nan 8.370 nan 0.000 0.504 131 I N 3.684 124.163 120.570 -0.152 0.000 2.404 131 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 131 I C -0.636 175.412 176.117 -0.115 0.000 0.992 131 I CA -1.060 60.170 61.300 -0.116 0.000 1.149 131 I CB 2.015 39.914 38.000 -0.168 0.000 1.315 131 I HN 0.134 nan 8.210 nan 0.000 0.446 132 V N 6.969 126.854 119.914 -0.048 0.000 2.577 132 V HA 0.444 4.564 4.120 -0.000 0.000 0.303 132 V C -0.418 175.697 176.094 0.036 0.000 1.042 132 V CA -0.639 61.645 62.300 -0.027 0.000 0.872 132 V CB 2.362 34.170 31.823 -0.024 0.000 0.998 132 V HN 0.381 nan 8.190 nan 0.000 0.423 133 V N 4.120 124.053 119.914 0.031 0.000 2.495 133 V HA 0.591 4.711 4.120 -0.000 0.000 0.298 133 V C -1.061 175.127 176.094 0.157 0.000 1.031 133 V CA -0.617 61.727 62.300 0.074 0.000 0.871 133 V CB 1.855 33.638 31.823 -0.067 0.000 0.988 133 V HN 0.948 nan 8.190 nan 0.000 0.432 134 W N 3.957 125.275 121.300 0.030 0.000 3.097 134 W HA 0.715 5.375 4.660 0.000 0.000 0.335 134 W C -0.604 176.000 176.519 0.141 0.000 1.114 134 W CA -0.194 57.183 57.345 0.053 0.000 1.231 134 W CB 2.081 31.576 29.460 0.059 0.000 1.388 134 W HN 0.602 nan 8.180 nan 0.000 0.485 135 S N 2.870 118.185 115.700 -0.642 0.000 2.595 135 S HA 0.353 4.823 4.470 -0.000 0.000 0.281 135 S C 0.281 174.295 174.600 -0.976 0.000 1.117 135 S CA -0.433 57.380 58.200 -0.645 0.000 0.873 135 S CB 1.903 64.891 63.200 -0.352 0.000 1.108 135 S HN 0.675 nan 8.310 nan 0.000 0.477 136 E N 1.436 121.257 120.200 -0.633 0.000 2.122 136 E HA 0.178 4.528 4.350 -0.000 0.000 0.190 136 E C -0.042 176.390 176.600 -0.280 0.000 0.977 136 E CA 0.261 56.404 56.400 -0.428 0.000 0.820 136 E CB -0.067 29.524 29.700 -0.181 0.000 0.770 136 E HN 0.532 nan 8.360 nan 0.000 0.462 137 L N 3.551 124.628 121.223 -0.244 0.000 2.700 137 L HA -0.015 4.325 4.340 -0.000 0.000 0.276 137 L C -2.153 174.625 176.870 -0.153 0.000 1.200 137 L CA -1.036 53.705 54.840 -0.165 0.000 0.951 137 L CB -0.221 41.753 42.059 -0.142 0.000 1.226 137 L HN -0.144 nan 8.230 nan 0.000 0.489 138 P HA 0.115 nan 4.420 nan 0.000 0.271 138 P C -2.149 175.106 177.300 -0.076 0.000 1.226 138 P CA -0.877 62.170 63.100 -0.089 0.000 0.765 138 P CB 0.263 31.925 31.700 -0.064 0.000 0.835 139 P HA 0.017 nan 4.420 nan 0.000 0.273 139 P C 0.502 177.781 177.300 -0.036 0.000 1.250 139 P CA 0.124 63.192 63.100 -0.053 0.000 0.793 139 P CB 0.360 32.029 31.700 -0.053 0.000 1.011 140 G N 0.522 109.309 108.800 -0.022 0.000 2.450 140 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.302 140 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.302 140 G C 0.704 175.587 174.900 -0.027 0.000 0.957 140 G CA 0.422 45.512 45.100 -0.017 0.000 1.005 140 G HN 0.834 nan 8.290 nan 0.000 0.514 141 A N -0.865 121.933 122.820 -0.036 0.000 2.585 141 A HA 0.667 4.987 4.320 -0.000 0.000 0.266 141 A C 2.007 179.562 177.584 -0.049 0.000 1.178 141 A CA 1.246 53.257 52.037 -0.044 0.000 0.966 141 A CB 0.102 19.072 19.000 -0.050 0.000 1.170 141 A HN 2.307 nan 8.150 nan 0.000 0.558 142 G N -0.745 108.026 108.800 -0.048 0.000 2.160 142 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.251 142 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.251 142 G C 0.326 175.193 174.900 -0.054 0.000 1.008 142 G CA 0.465 45.531 45.100 -0.057 0.000 0.724 142 G HN 0.469 nan 8.290 nan 0.000 0.514 143 L N 0.729 121.923 121.223 -0.050 0.000 2.653 143 L HA 0.473 4.813 4.340 -0.000 0.000 0.232 143 L C 1.928 178.773 176.870 -0.041 0.000 1.169 143 L CA 0.723 55.534 54.840 -0.048 0.000 0.951 143 L CB -0.471 41.555 42.059 -0.054 0.000 1.181 143 L HN 1.308 nan 8.230 nan 0.000 0.460 144 G N -0.162 108.616 108.800 -0.036 0.000 2.333 144 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.296 144 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.296 144 G C 1.123 176.022 174.900 -0.002 0.000 1.059 144 G CA 0.690 45.778 45.100 -0.019 0.000 1.050 144 G HN 0.497 nan 8.290 nan 0.000 0.508 145 S N -0.636 115.068 115.700 0.007 0.000 2.371 145 S HA -0.045 4.425 4.470 -0.000 0.000 0.221 145 S C 2.677 177.326 174.600 0.082 0.000 1.036 145 S CA 1.457 59.666 58.200 0.014 0.000 0.965 145 S CB -0.575 62.615 63.200 -0.015 0.000 0.845 145 S HN 1.682 nan 8.310 nan 0.000 0.475 146 S N 2.734 118.506 115.700 0.121 0.000 2.440 146 S HA -0.017 4.453 4.470 -0.000 0.000 0.240 146 S C 1.919 176.585 174.600 0.109 0.000 1.014 146 S CA 0.946 59.246 58.200 0.167 0.000 0.980 146 S CB -0.856 62.466 63.200 0.203 0.000 0.775 146 S HN 0.803 nan 8.310 nan 0.000 0.499 147 A N 1.940 124.812 122.820 0.086 0.000 1.878 147 A HA 0.553 4.873 4.320 -0.000 0.000 0.213 147 A C 2.545 180.137 177.584 0.012 0.000 1.192 147 A CA 1.162 53.221 52.037 0.037 0.000 0.619 147 A CB -1.445 17.579 19.000 0.039 0.000 0.837 147 A HN 0.767 nan 8.150 nan 0.000 0.446 148 A N -0.773 122.061 122.820 0.024 0.000 1.859 148 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 148 A C 2.171 179.787 177.584 0.053 0.000 1.198 148 A CA 1.780 53.821 52.037 0.007 0.000 0.629 148 A CB -1.235 17.755 19.000 -0.017 0.000 0.830 148 A HN 0.791 nan 8.150 nan 0.000 0.446 149 Y N 0.361 120.634 120.300 -0.045 0.000 2.053 149 Y HA -0.281 4.269 4.550 -0.000 0.000 0.277 149 Y C 2.896 178.788 175.900 -0.012 0.000 1.159 149 Y CA 2.003 60.087 58.100 -0.027 0.000 1.125 149 Y CB -0.360 38.088 38.460 -0.020 0.000 0.969 149 Y HN 0.337 nan 8.280 nan 0.000 0.492 150 S N -0.588 114.952 115.700 -0.267 0.000 2.387 150 S HA -0.199 4.271 4.470 -0.000 0.000 0.230 150 S C 1.808 176.293 174.600 -0.192 0.000 1.035 150 S CA 1.491 59.479 58.200 -0.353 0.000 1.014 150 S CB -0.675 62.394 63.200 -0.218 0.000 0.836 150 S HN 0.381 nan 8.310 nan 0.000 0.466 151 V N 0.048 119.893 119.914 -0.115 0.000 2.719 151 V HA -0.106 4.014 4.120 -0.000 0.000 0.252 151 V C 2.415 178.441 176.094 -0.114 0.000 1.065 151 V CA 1.277 63.506 62.300 -0.118 0.000 1.086 151 V CB -0.633 31.119 31.823 -0.119 0.000 0.700 151 V HN 0.626 nan 8.190 nan 0.000 0.467 152 C N -0.462 118.810 119.300 -0.045 0.000 2.450 152 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 152 C C 2.461 177.464 174.990 0.023 0.000 1.335 152 C CA 0.682 59.711 59.018 0.017 0.000 1.749 152 C CB -0.837 26.972 27.740 0.115 0.000 1.963 152 C HN 0.517 nan 8.230 nan 0.000 0.501 153 L N 0.197 121.409 121.223 -0.019 0.000 2.341 153 L HA 0.051 4.391 4.340 -0.000 0.000 0.214 153 L C 2.580 179.427 176.870 -0.039 0.000 1.115 153 L CA 0.981 55.826 54.840 0.009 0.000 0.820 153 L CB -0.405 41.639 42.059 -0.026 0.000 0.944 153 L HN 0.260 nan 8.230 nan 0.000 0.452 154 A N -0.420 122.339 122.820 -0.101 0.000 2.169 154 A HA 0.213 4.533 4.320 -0.000 0.000 0.212 154 A C 2.216 179.697 177.584 -0.172 0.000 1.153 154 A CA 1.123 53.083 52.037 -0.129 0.000 0.756 154 A CB -0.168 18.781 19.000 -0.085 0.000 0.813 154 A HN 0.347 nan 8.150 nan 0.000 0.471 155 A N -0.141 122.558 122.820 -0.201 0.000 1.896 155 A HA 0.461 4.781 4.320 -0.000 0.000 0.213 155 A C 2.439 180.005 177.584 -0.030 0.000 1.306 155 A CA 1.264 53.103 52.037 -0.330 0.000 0.626 155 A CB -1.327 17.360 19.000 -0.522 0.000 0.994 155 A HN 0.955 nan 8.150 nan 0.000 0.475 156 A N 0.186 123.049 122.820 0.073 0.000 1.881 156 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 156 A C 2.216 179.873 177.584 0.121 0.000 1.215 156 A CA 2.044 54.172 52.037 0.153 0.000 0.648 156 A CB -1.099 17.989 19.000 0.147 0.000 0.832 156 A HN 0.492 nan 8.150 nan 0.000 0.455 157 L N -1.661 119.607 121.223 0.075 0.000 1.976 157 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 157 L C 2.508 179.377 176.870 -0.001 0.000 1.071 157 L CA 1.321 56.189 54.840 0.046 0.000 0.746 157 L CB -0.644 41.418 42.059 0.006 0.000 0.890 157 L HN 0.430 nan 8.230 nan 0.000 0.432 158 L N -0.519 120.674 121.223 -0.050 0.000 2.197 158 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 158 L C 2.333 179.241 176.870 0.063 0.000 1.095 158 L CA 1.972 56.794 54.840 -0.031 0.000 0.764 158 L CB -0.797 41.240 42.059 -0.036 0.000 0.897 158 L HN 0.226 nan 8.230 nan 0.000 0.436 159 T N -2.286 112.341 114.554 0.121 0.000 2.901 159 T HA -0.080 4.270 4.350 -0.000 0.000 0.252 159 T C 1.877 176.658 174.700 0.135 0.000 1.035 159 T CA 1.139 63.359 62.100 0.201 0.000 1.142 159 T CB -0.084 68.989 68.868 0.342 0.000 0.869 159 T HN 0.145 nan 8.240 nan 0.000 0.442 160 V N 1.144 121.127 119.914 0.115 0.000 2.332 160 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 160 V C 2.413 178.544 176.094 0.063 0.000 1.055 160 V CA 1.715 64.072 62.300 0.094 0.000 1.038 160 V CB -0.561 31.324 31.823 0.103 0.000 0.651 160 V HN 0.631 nan 8.190 nan 0.000 0.450 161 C N 0.052 119.374 119.300 0.036 0.000 2.485 161 C HA 0.036 4.496 4.460 -0.000 0.000 0.283 161 C C 1.406 176.412 174.990 0.026 0.000 1.478 161 C CA 0.609 59.630 59.018 0.007 0.000 1.741 161 C CB -2.064 25.651 27.740 -0.043 0.000 1.675 161 C HN 0.828 nan 8.230 nan 0.000 0.573 162 E N -0.816 119.416 120.200 0.054 0.000 2.971 162 E HA -0.234 4.116 4.350 -0.000 0.000 0.278 162 E C 0.757 177.396 176.600 0.064 0.000 1.009 162 E CA 0.561 56.999 56.400 0.063 0.000 0.862 162 E CB -0.999 28.728 29.700 0.046 0.000 1.436 162 E HN 0.657 nan 8.360 nan 0.000 0.434 163 E N -0.183 120.058 120.200 0.068 0.000 2.285 163 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 163 E C 0.765 177.427 176.600 0.103 0.000 0.997 163 E CA 0.553 56.999 56.400 0.077 0.000 0.845 163 E CB 0.425 30.173 29.700 0.080 0.000 0.782 163 E HN 0.292 nan 8.360 nan 0.000 0.491 164 I N 1.387 122.035 120.570 0.130 0.000 2.647 164 I HA 0.237 4.407 4.170 -0.000 0.000 0.295 164 I C -2.362 173.875 176.117 0.199 0.000 1.078 164 I CA -2.474 58.931 61.300 0.175 0.000 1.048 164 I CB 2.110 40.235 38.000 0.207 0.000 1.239 164 I HN -0.213 nan 8.210 nan 0.000 0.421 165 P HA 0.003 nan 4.420 nan 0.000 0.282 165 P C -0.707 176.647 177.300 0.091 0.000 1.273 165 P CA -0.075 63.092 63.100 0.112 0.000 0.809 165 P CB 0.577 32.324 31.700 0.078 0.000 1.246 166 N N -0.393 118.291 118.700 -0.027 0.000 2.685 166 N HA 0.200 4.940 4.740 -0.000 0.000 0.252 166 N C -2.323 173.060 175.510 -0.212 0.000 1.261 166 N CA -1.358 51.608 53.050 -0.141 0.000 0.768 166 N CB 0.532 38.990 38.487 -0.049 0.000 1.304 166 N HN 0.019 nan 8.380 nan 0.000 0.536 167 P HA -0.003 nan 4.420 nan 0.000 0.242 167 P C 1.130 178.289 177.300 -0.234 0.000 1.198 167 P CA 0.250 63.191 63.100 -0.265 0.000 0.756 167 P CB 0.315 31.834 31.700 -0.303 0.000 0.911 168 L N -0.452 120.631 121.223 -0.233 0.000 2.477 168 L HA 0.133 4.473 4.340 -0.000 0.000 0.220 168 L C 1.027 177.838 176.870 -0.098 0.000 1.106 168 L CA 0.500 55.242 54.840 -0.164 0.000 0.851 168 L CB -0.582 41.385 42.059 -0.153 0.000 0.994 168 L HN -0.245 nan 8.230 nan 0.000 0.462 169 K N 1.543 121.891 120.400 -0.087 0.000 2.036 169 K HA -0.092 4.228 4.320 -0.000 0.000 0.246 169 K C -0.602 175.971 176.600 -0.044 0.000 1.189 169 K CA 1.233 57.488 56.287 -0.053 0.000 1.255 169 K CB -0.889 31.584 32.500 -0.045 0.000 0.909 169 K HN 0.605 nan 8.250 nan 0.000 0.382 170 D N 1.338 121.716 120.400 -0.038 0.000 4.172 170 D HA 0.028 4.668 4.640 -0.000 0.000 0.230 170 D C -0.002 176.283 176.300 -0.025 0.000 0.582 170 D CA -0.149 53.833 54.000 -0.030 0.000 0.695 170 D CB -0.866 39.913 40.800 -0.035 0.000 1.689 170 D HN 0.553 nan 8.370 nan 0.000 0.148 171 G N 1.235 110.020 108.800 -0.024 0.000 2.675 171 G HA2 0.226 4.186 3.960 -0.000 0.000 0.196 171 G HA3 0.226 4.186 3.960 -0.000 0.000 0.196 171 G C -0.301 174.587 174.900 -0.019 0.000 0.679 171 G CA 0.657 45.746 45.100 -0.018 0.000 0.886 171 G HN 0.932 nan 8.290 nan 0.000 0.320 172 D N -0.122 120.266 120.400 -0.020 0.000 3.861 172 D HA 0.246 4.886 4.640 -0.000 0.000 0.364 172 D C 0.900 177.190 176.300 -0.017 0.000 1.563 172 D CA 0.584 54.572 54.000 -0.020 0.000 0.940 172 D CB -0.063 40.719 40.800 -0.030 0.000 1.496 172 D HN 0.513 nan 8.370 nan 0.000 0.588 173 C N -0.575 118.711 119.300 -0.023 0.000 2.598 173 C HA 0.661 5.121 4.460 -0.000 0.000 0.291 173 C C 0.500 175.455 174.990 -0.059 0.000 1.437 173 C CA 0.614 59.623 59.018 -0.016 0.000 1.864 173 C CB 0.283 28.022 27.740 -0.001 0.000 2.068 173 C HN 0.427 nan 8.230 nan 0.000 0.618 174 V N 0.739 120.582 119.914 -0.119 0.000 3.130 174 V HA 0.614 4.734 4.120 -0.000 0.000 0.310 174 V C -0.934 175.047 176.094 -0.188 0.000 1.158 174 V CA -0.516 61.630 62.300 -0.256 0.000 1.029 174 V CB 1.961 33.525 31.823 -0.432 0.000 1.057 174 V HN 0.528 nan 8.190 nan 0.000 0.436 175 N N 0.694 119.263 118.700 -0.218 0.000 3.185 175 N HA 0.537 5.277 4.740 -0.000 0.000 0.238 175 N C -1.844 173.552 175.510 -0.189 0.000 1.451 175 N CA -0.682 52.262 53.050 -0.177 0.000 0.888 175 N CB 2.939 41.309 38.487 -0.195 0.000 1.413 175 N HN 0.726 nan 8.380 nan 0.000 0.511 176 R N 0.152 120.566 120.500 -0.145 0.000 2.771 176 R HA 0.417 4.757 4.340 -0.000 0.000 0.274 176 R C -0.105 176.171 176.300 -0.041 0.000 0.987 176 R CA -0.748 55.334 56.100 -0.030 0.000 0.908 176 R CB 1.930 32.305 30.300 0.125 0.000 1.213 176 R HN 0.444 nan 8.270 nan 0.000 0.468 177 W N 1.241 122.548 121.300 0.013 0.000 1.900 177 W HA 0.019 4.679 4.660 0.000 0.000 0.357 177 W C 0.834 177.371 176.519 0.030 0.000 1.390 177 W CA 0.358 57.714 57.345 0.018 0.000 1.428 177 W CB 0.380 29.846 29.460 0.009 0.000 1.295 177 W HN 0.451 nan 8.180 nan 0.000 0.666 178 T N -1.691 113.033 114.554 0.284 0.000 2.867 178 T HA 0.205 4.555 4.350 -0.000 0.000 0.282 178 T C 0.945 175.762 174.700 0.194 0.000 1.000 178 T CA -0.779 61.432 62.100 0.185 0.000 1.042 178 T CB 2.482 71.427 68.868 0.127 0.000 0.973 178 T HN 0.516 nan 8.240 nan 0.000 0.465 179 K N 1.624 122.134 120.400 0.183 0.000 1.989 179 K HA -0.399 3.921 4.320 -0.000 0.000 0.230 179 K C 1.696 178.411 176.600 0.191 0.000 0.947 179 K CA 2.929 59.344 56.287 0.213 0.000 1.009 179 K CB -0.658 31.939 32.500 0.161 0.000 0.725 179 K HN 0.793 nan 8.250 nan 0.000 0.511 180 E N 0.832 121.115 120.200 0.139 0.000 2.187 180 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 180 E C 1.704 178.361 176.600 0.096 0.000 1.004 180 E CA 1.955 58.419 56.400 0.107 0.000 0.813 180 E CB -0.298 29.450 29.700 0.080 0.000 0.736 180 E HN 0.492 nan 8.360 nan 0.000 0.468 181 D N 0.008 120.482 120.400 0.123 0.000 2.117 181 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 181 D C 1.953 178.250 176.300 -0.004 0.000 0.982 181 D CA 0.796 54.867 54.000 0.118 0.000 0.828 181 D CB -0.268 40.699 40.800 0.278 0.000 0.967 181 D HN 0.205 nan 8.370 nan 0.000 0.464 182 L N 0.843 122.061 121.223 -0.008 0.000 2.093 182 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 182 L C 2.359 179.108 176.870 -0.201 0.000 1.085 182 L CA 0.870 55.587 54.840 -0.205 0.000 0.755 182 L CB -0.421 41.493 42.059 -0.241 0.000 0.904 182 L HN -0.084 nan 8.230 nan 0.000 0.435 183 E N 0.414 120.626 120.200 0.020 0.000 2.049 183 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 183 E C 2.161 178.742 176.600 -0.031 0.000 1.007 183 E CA 1.436 57.887 56.400 0.086 0.000 0.809 183 E CB -0.493 29.279 29.700 0.119 0.000 0.749 183 E HN 0.267 nan 8.360 nan 0.000 0.450 184 L N 1.218 122.417 121.223 -0.041 0.000 1.976 184 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 184 L C 2.290 179.163 176.870 0.005 0.000 1.071 184 L CA 1.410 56.212 54.840 -0.064 0.000 0.746 184 L CB -0.706 41.367 42.059 0.024 0.000 0.890 184 L HN 0.083 nan 8.230 nan 0.000 0.432 185 I N 0.099 120.644 120.570 -0.042 0.000 2.143 185 I HA -0.391 3.779 4.170 -0.000 0.000 0.245 185 I C 2.447 178.522 176.117 -0.070 0.000 1.068 185 I CA 1.855 63.098 61.300 -0.096 0.000 1.326 185 I CB -1.716 36.076 38.000 -0.346 0.000 1.028 185 I HN 0.549 nan 8.210 nan 0.000 0.412 186 N N 1.461 120.058 118.700 -0.171 0.000 2.051 186 N HA -0.224 4.516 4.740 -0.000 0.000 0.192 186 N C 1.926 177.454 175.510 0.031 0.000 1.049 186 N CA 1.479 54.446 53.050 -0.139 0.000 0.845 186 N CB -0.234 38.084 38.487 -0.281 0.000 1.031 186 N HN 0.214 nan 8.380 nan 0.000 0.425 187 K N 0.208 120.599 120.400 -0.015 0.000 2.242 187 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 187 K C 1.875 178.488 176.600 0.022 0.000 1.045 187 K CA 1.191 57.451 56.287 -0.046 0.000 0.930 187 K CB -0.571 31.812 32.500 -0.195 0.000 0.726 187 K HN 0.431 nan 8.250 nan 0.000 0.462 188 W N -0.055 121.260 121.300 0.025 0.000 2.526 188 W HA 0.056 4.716 4.660 -0.000 0.000 0.294 188 W C 2.479 179.004 176.519 0.010 0.000 1.181 188 W CA 0.505 57.862 57.345 0.020 0.000 1.373 188 W CB -0.058 29.384 29.460 -0.030 0.000 1.112 188 W HN 0.140 nan 8.180 nan 0.000 0.545 189 A N -0.289 122.673 122.820 0.237 0.000 1.969 189 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 189 A C 1.619 179.249 177.584 0.078 0.000 1.169 189 A CA 1.217 53.303 52.037 0.083 0.000 0.635 189 A CB -1.227 17.772 19.000 -0.002 0.000 0.810 189 A HN 0.405 nan 8.150 nan 0.000 0.445 190 F N 0.658 120.616 119.950 0.013 0.000 2.307 190 F HA -0.181 4.345 4.527 -0.000 0.000 0.301 190 F C 2.264 178.058 175.800 -0.011 0.000 1.076 190 F CA 1.760 59.757 58.000 -0.005 0.000 1.383 190 F CB 0.032 39.029 39.000 -0.005 0.000 1.055 190 F HN 0.225 nan 8.300 nan 0.000 0.526 191 Q N 0.082 119.900 119.800 0.031 0.000 2.123 191 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 191 Q C 2.613 178.438 176.000 -0.292 0.000 0.966 191 Q CA 1.237 57.000 55.803 -0.066 0.000 0.845 191 Q CB -1.293 27.611 28.738 0.276 0.000 0.907 191 Q HN 0.518 nan 8.270 nan 0.000 0.439 192 G N 1.559 110.241 108.800 -0.196 0.000 2.433 192 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 192 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 192 G C 1.342 176.044 174.900 -0.330 0.000 1.186 192 G CA 0.536 45.474 45.100 -0.269 0.000 0.779 192 G HN 0.241 nan 8.290 nan 0.000 0.543 193 E N 0.276 120.293 120.200 -0.305 0.000 2.204 193 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 193 E C 2.606 178.978 176.600 -0.380 0.000 0.990 193 E CA 0.271 56.487 56.400 -0.305 0.000 0.821 193 E CB -0.185 29.411 29.700 -0.174 0.000 0.750 193 E HN 0.183 nan 8.360 nan 0.000 0.477 194 R N 0.262 120.472 120.500 -0.484 0.000 2.148 194 R HA -0.035 4.305 4.340 -0.000 0.000 0.227 194 R C 2.129 178.226 176.300 -0.339 0.000 1.103 194 R CA 0.695 56.535 56.100 -0.433 0.000 0.983 194 R CB -0.297 29.728 30.300 -0.458 0.000 0.874 194 R HN 0.211 nan 8.270 nan 0.000 0.451 195 M N -0.602 118.758 119.600 -0.399 0.000 2.334 195 M HA 0.043 4.523 4.480 -0.000 0.000 0.266 195 M C 1.572 177.699 176.300 -0.287 0.000 1.082 195 M CA 1.478 56.556 55.300 -0.369 0.000 1.141 195 M CB 0.197 32.505 32.600 -0.486 0.000 1.380 195 M HN -0.010 nan 8.290 nan 0.000 0.440 196 I N -1.295 119.057 120.570 -0.363 0.000 2.556 196 I HA -0.100 4.070 4.170 -0.000 0.000 0.251 196 I C 1.688 177.565 176.117 -0.399 0.000 1.105 196 I CA 0.464 61.512 61.300 -0.420 0.000 1.436 196 I CB -0.451 37.182 38.000 -0.611 0.000 1.139 196 I HN 0.283 nan 8.210 nan 0.000 0.438 197 H N 0.260 119.262 119.070 -0.114 0.000 2.592 197 H HA 0.284 4.840 4.556 -0.000 0.000 0.265 197 H C 1.860 177.134 175.328 -0.091 0.000 0.955 197 H CA 0.835 56.829 56.048 -0.091 0.000 1.175 197 H CB 0.624 30.331 29.762 -0.090 0.000 1.433 197 H HN 0.433 nan 8.280 nan 0.000 0.537 198 G N 1.616 110.387 108.800 -0.049 0.000 2.550 198 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.233 198 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.233 198 G C 0.593 175.463 174.900 -0.051 0.000 1.170 198 G CA 0.489 45.556 45.100 -0.055 0.000 0.693 198 G HN 0.527 nan 8.290 nan 0.000 0.512 199 N N 0.909 119.596 118.700 -0.020 0.000 2.609 199 N HA 0.276 5.016 4.740 -0.000 0.000 0.251 199 N C -2.288 173.231 175.510 0.014 0.000 1.526 199 N CA -0.336 52.708 53.050 -0.009 0.000 0.931 199 N CB 0.981 39.476 38.487 0.013 0.000 1.460 199 N HN 0.421 nan 8.380 nan 0.000 0.526 200 P HA 0.089 nan 4.420 nan 0.000 0.274 200 P C 0.776 178.130 177.300 0.090 0.000 1.260 200 P CA -0.128 62.979 63.100 0.011 0.000 0.793 200 P CB 1.157 32.861 31.700 0.006 0.000 1.048 201 S N -1.202 114.535 115.700 0.061 0.000 2.406 201 S HA 0.170 4.640 4.470 -0.000 0.000 0.224 201 S C 1.493 176.186 174.600 0.155 0.000 1.030 201 S CA 1.005 59.230 58.200 0.042 0.000 0.958 201 S CB -0.934 62.155 63.200 -0.185 0.000 0.811 201 S HN 0.910 nan 8.310 nan 0.000 0.489 202 G N -0.045 108.878 108.800 0.204 0.000 2.211 202 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.201 202 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.201 202 G C 0.756 175.697 174.900 0.069 0.000 0.997 202 G CA 0.154 45.458 45.100 0.341 0.000 0.652 202 G HN 0.545 nan 8.290 nan 0.000 0.500 203 V N 1.235 121.084 119.914 -0.107 0.000 2.407 203 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 203 V C 2.647 178.729 176.094 -0.020 0.000 1.055 203 V CA 2.714 64.931 62.300 -0.139 0.000 1.049 203 V CB -0.358 31.290 31.823 -0.292 0.000 0.662 203 V HN 0.445 nan 8.190 nan 0.000 0.455 204 D N 0.905 121.301 120.400 -0.007 0.000 2.087 204 D HA -0.181 4.459 4.640 -0.000 0.000 0.192 204 D C 1.919 178.243 176.300 0.040 0.000 0.993 204 D CA 2.052 56.060 54.000 0.012 0.000 0.828 204 D CB -0.603 40.201 40.800 0.008 0.000 0.968 204 D HN 0.743 nan 8.370 nan 0.000 0.448 205 N N 1.232 119.974 118.700 0.071 0.000 2.166 205 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 205 N C 1.720 177.257 175.510 0.045 0.000 1.019 205 N CA 1.522 54.605 53.050 0.055 0.000 0.856 205 N CB -0.420 38.125 38.487 0.097 0.000 0.993 205 N HN 0.128 nan 8.380 nan 0.000 0.426 206 A N 0.857 123.758 122.820 0.134 0.000 1.933 206 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 206 A C 2.357 180.128 177.584 0.312 0.000 1.175 206 A CA 1.494 53.720 52.037 0.315 0.000 0.628 206 A CB -0.978 18.235 19.000 0.354 0.000 0.814 206 A HN 0.189 nan 8.150 nan 0.000 0.444 207 V N 0.644 120.655 119.914 0.162 0.000 2.237 207 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 207 V C 2.847 178.992 176.094 0.086 0.000 1.046 207 V CA 2.513 64.890 62.300 0.128 0.000 1.007 207 V CB -1.058 30.803 31.823 0.062 0.000 0.638 207 V HN 0.662 nan 8.190 nan 0.000 0.445 208 S N -0.692 115.021 115.700 0.021 0.000 2.399 208 S HA -0.206 4.264 4.470 -0.000 0.000 0.231 208 S C 1.945 176.492 174.600 -0.088 0.000 1.022 208 S CA 1.757 59.942 58.200 -0.025 0.000 0.983 208 S CB -0.606 62.569 63.200 -0.042 0.000 0.803 208 S HN 0.632 nan 8.310 nan 0.000 0.480 209 T N 1.101 115.544 114.554 -0.186 0.000 2.614 209 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 209 T C 1.357 175.798 174.700 -0.432 0.000 1.055 209 T CA 1.209 63.028 62.100 -0.468 0.000 1.162 209 T CB -0.261 68.047 68.868 -0.933 0.000 0.863 209 T HN 0.541 nan 8.240 nan 0.000 0.414 210 W N 1.000 122.308 121.300 0.013 0.000 2.576 210 W HA 0.343 5.003 4.660 -0.000 0.000 0.275 210 W C 1.696 178.232 176.519 0.029 0.000 1.241 210 W CA 0.677 58.036 57.345 0.024 0.000 1.328 210 W CB -1.015 28.453 29.460 0.013 0.000 1.092 210 W HN 0.580 nan 8.180 nan 0.000 0.586 211 G N 0.393 109.320 108.800 0.213 0.000 2.593 211 G HA2 0.031 3.991 3.960 -0.000 0.000 0.237 211 G HA3 0.031 3.991 3.960 -0.000 0.000 0.237 211 G C 0.604 175.582 174.900 0.131 0.000 1.312 211 G CA 0.548 45.728 45.100 0.133 0.000 0.896 211 G HN 0.939 nan 8.290 nan 0.000 0.574 212 G N -0.671 108.184 108.800 0.092 0.000 2.611 212 G HA2 0.327 4.287 3.960 -0.000 0.000 0.301 212 G HA3 0.327 4.287 3.960 -0.000 0.000 0.301 212 G C 0.689 175.621 174.900 0.054 0.000 1.233 212 G CA 2.378 47.520 45.100 0.070 0.000 0.993 212 G HN 2.838 nan 8.290 nan 0.000 0.553 213 A N -1.052 121.794 122.820 0.044 0.000 2.381 213 A HA 0.794 5.114 4.320 -0.000 0.000 0.299 213 A C -0.350 177.250 177.584 0.028 0.000 1.049 213 A CA -0.321 51.734 52.037 0.030 0.000 0.715 213 A CB 1.251 20.260 19.000 0.014 0.000 1.222 213 A HN 1.150 nan 8.150 nan 0.000 0.428 214 L N 1.138 122.381 121.223 0.034 0.000 2.313 214 L HA 0.729 5.069 4.340 -0.000 0.000 0.268 214 L C 0.482 177.377 176.870 0.041 0.000 1.010 214 L CA -0.857 54.000 54.840 0.029 0.000 0.814 214 L CB 1.846 43.930 42.059 0.041 0.000 1.304 214 L HN 0.819 nan 8.230 nan 0.000 0.441 215 R N 1.081 121.608 120.500 0.046 0.000 2.371 215 R HA 0.309 4.649 4.340 -0.000 0.000 0.312 215 R C -1.731 174.656 176.300 0.144 0.000 0.980 215 R CA -0.532 55.609 56.100 0.069 0.000 0.867 215 R CB 0.812 31.137 30.300 0.040 0.000 1.163 215 R HN 0.493 nan 8.270 nan 0.000 0.492 216 Y N 4.659 124.958 120.300 -0.001 0.000 2.320 216 Y HA 0.315 4.865 4.550 -0.000 0.000 0.334 216 Y C -0.705 175.213 175.900 0.031 0.000 1.055 216 Y CA -0.437 57.673 58.100 0.017 0.000 1.143 216 Y CB 0.550 39.014 38.460 0.006 0.000 1.193 216 Y HN 0.708 nan 8.280 nan 0.000 0.477 217 H N 2.612 121.641 119.070 -0.070 0.000 4.310 217 H HA 0.305 4.861 4.556 -0.000 0.000 0.304 217 H C -0.244 174.862 175.328 -0.371 0.000 1.419 217 H CA -0.092 55.812 56.048 -0.241 0.000 1.076 217 H CB 0.637 30.356 29.762 -0.072 0.000 1.065 217 H HN 0.671 nan 8.280 nan 0.000 0.636 218 Q N 0.355 120.260 119.800 0.174 0.000 2.294 218 Q HA 0.205 4.545 4.340 -0.000 0.000 0.222 218 Q C 0.329 176.363 176.000 0.057 0.000 0.903 218 Q CA 0.591 56.409 55.803 0.025 0.000 0.966 218 Q CB -0.190 28.507 28.738 -0.068 0.000 1.091 218 Q HN 0.886 nan 8.270 nan 0.000 0.438 219 G N -0.121 108.802 108.800 0.204 0.000 2.179 219 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.220 219 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.220 219 G C -0.187 174.873 174.900 0.267 0.000 0.990 219 G CA -0.576 44.737 45.100 0.355 0.000 0.646 219 G HN 0.170 nan 8.290 nan 0.000 0.517 220 K N 0.823 121.361 120.400 0.230 0.000 2.265 220 K HA 0.659 4.979 4.320 -0.000 0.000 0.267 220 K C 0.377 177.089 176.600 0.186 0.000 0.994 220 K CA -0.565 55.795 56.287 0.122 0.000 0.860 220 K CB 1.949 34.472 32.500 0.039 0.000 1.099 220 K HN 0.342 nan 8.250 nan 0.000 0.448 221 I N 0.537 121.154 120.570 0.078 0.000 2.797 221 I HA 0.293 4.463 4.170 -0.000 0.000 0.310 221 I C 0.675 176.784 176.117 -0.012 0.000 0.990 221 I CA -0.306 61.026 61.300 0.054 0.000 1.228 221 I CB 1.557 39.527 38.000 -0.049 0.000 1.406 221 I HN 0.558 nan 8.210 nan 0.000 0.534 222 S N 1.524 117.208 115.700 -0.027 0.000 2.611 222 S HA 0.483 4.953 4.470 -0.000 0.000 0.268 222 S C -1.402 173.140 174.600 -0.097 0.000 1.156 222 S CA -0.547 57.604 58.200 -0.081 0.000 0.817 222 S CB 1.770 64.951 63.200 -0.032 0.000 1.122 222 S HN 0.619 nan 8.310 nan 0.000 0.466 223 S N 1.349 116.968 115.700 -0.135 0.000 2.503 223 S HA 0.766 5.236 4.470 -0.000 0.000 0.301 223 S C -1.307 173.253 174.600 -0.066 0.000 1.087 223 S CA -0.556 57.574 58.200 -0.116 0.000 1.042 223 S CB 0.684 63.761 63.200 -0.205 0.000 1.043 223 S HN 0.579 nan 8.310 nan 0.000 0.489 224 L N 4.182 125.385 121.223 -0.034 0.000 2.326 224 L HA 0.508 4.848 4.340 -0.000 0.000 0.278 224 L C 0.936 177.796 176.870 -0.017 0.000 1.092 224 L CA 0.029 54.858 54.840 -0.019 0.000 0.810 224 L CB 1.152 43.208 42.059 -0.005 0.000 1.153 224 L HN 0.755 nan 8.230 nan 0.000 0.439 225 K N 2.489 122.879 120.400 -0.016 0.000 2.143 225 K HA 0.090 4.410 4.320 -0.000 0.000 0.209 225 K C 1.730 178.329 176.600 -0.000 0.000 1.042 225 K CA 0.832 57.113 56.287 -0.010 0.000 1.000 225 K CB -0.024 32.468 32.500 -0.012 0.000 1.134 225 K HN 0.345 nan 8.250 nan 0.000 0.456 226 R N 1.221 121.720 120.500 -0.001 0.000 2.198 226 R HA -0.115 4.225 4.340 -0.000 0.000 0.258 226 R C 0.608 176.910 176.300 0.003 0.000 1.173 226 R CA 0.976 57.078 56.100 0.002 0.000 0.991 226 R CB -1.926 28.374 30.300 -0.001 0.000 0.879 226 R HN 0.438 nan 8.270 nan 0.000 0.460 227 S N 2.555 118.254 115.700 -0.001 0.000 4.142 227 S HA -0.067 4.403 4.470 -0.000 0.000 0.497 227 S C -1.360 173.244 174.600 0.005 0.000 1.055 227 S CA -0.672 57.526 58.200 -0.002 0.000 1.165 227 S CB 0.349 63.550 63.200 0.002 0.000 0.774 227 S HN 0.183 nan 8.310 nan 0.000 0.512 228 P HA 0.536 nan 4.420 nan 0.000 0.337 228 P C -0.888 176.421 177.300 0.015 0.000 1.404 228 P CA -0.316 62.791 63.100 0.011 0.000 0.864 228 P CB 0.493 32.197 31.700 0.007 0.000 2.124 229 A N -0.776 122.057 122.820 0.021 0.000 2.459 229 A HA 0.655 4.975 4.320 -0.000 0.000 0.296 229 A C -0.822 176.783 177.584 0.035 0.000 1.039 229 A CA -0.617 51.437 52.037 0.027 0.000 0.698 229 A CB 0.502 19.527 19.000 0.041 0.000 1.261 229 A HN 0.305 nan 8.150 nan 0.000 0.405 230 L N 1.240 122.478 121.223 0.026 0.000 2.322 230 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 230 L C -0.074 176.832 176.870 0.059 0.000 1.012 230 L CA -1.010 53.858 54.840 0.046 0.000 0.815 230 L CB 1.537 43.599 42.059 0.006 0.000 1.295 230 L HN 0.591 nan 8.230 nan 0.000 0.438 231 Q N 3.007 122.858 119.800 0.086 0.000 2.360 231 Q HA 0.468 4.808 4.340 -0.000 0.000 0.254 231 Q C -0.389 175.648 176.000 0.062 0.000 0.975 231 Q CA -0.223 55.622 55.803 0.071 0.000 0.912 231 Q CB 2.053 30.838 28.738 0.078 0.000 1.212 231 Q HN 0.597 nan 8.270 nan 0.000 0.452 232 I N -0.865 119.731 120.570 0.042 0.000 4.030 232 I HA 0.654 4.824 4.170 -0.000 0.000 0.248 232 I C -0.837 175.298 176.117 0.029 0.000 1.284 232 I CA -1.211 60.109 61.300 0.033 0.000 1.223 232 I CB 1.162 39.170 38.000 0.013 0.000 1.446 232 I HN 0.303 nan 8.210 nan 0.000 0.519 233 L N 2.038 123.273 121.223 0.019 0.000 2.549 233 L HA 0.445 4.785 4.340 -0.000 0.000 0.260 233 L C -1.293 175.577 176.870 0.001 0.000 1.109 233 L CA -0.253 54.598 54.840 0.017 0.000 0.900 233 L CB 1.234 43.308 42.059 0.025 0.000 1.119 233 L HN 0.591 nan 8.230 nan 0.000 0.471 234 L N 3.485 124.704 121.223 -0.006 0.000 2.433 234 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 234 L C -0.129 176.721 176.870 -0.032 0.000 1.128 234 L CA 1.016 55.841 54.840 -0.026 0.000 0.875 234 L CB 0.688 42.729 42.059 -0.029 0.000 1.171 234 L HN 0.623 nan 8.230 nan 0.000 0.463 235 T N 4.798 119.314 114.554 -0.063 0.000 2.779 235 T HA 0.295 4.645 4.350 -0.000 0.000 0.280 235 T C -0.272 174.324 174.700 -0.174 0.000 0.987 235 T CA -0.524 61.519 62.100 -0.095 0.000 0.966 235 T CB 0.622 69.420 68.868 -0.117 0.000 0.933 235 T HN 0.519 nan 8.240 nan 0.000 0.442 236 N N 2.109 120.721 118.700 -0.146 0.000 2.457 236 N HA 0.122 4.862 4.740 -0.000 0.000 0.250 236 N C 1.347 176.695 175.510 -0.271 0.000 0.982 236 N CA -0.329 52.623 53.050 -0.164 0.000 0.941 236 N CB 1.508 39.956 38.487 -0.065 0.000 1.120 236 N HN 0.703 nan 8.380 nan 0.000 0.505 237 T N 0.503 114.780 114.554 -0.461 0.000 3.035 237 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 237 T C 0.603 175.291 174.700 -0.021 0.000 1.109 237 T CA 0.608 62.323 62.100 -0.641 0.000 1.119 237 T CB -0.213 68.324 68.868 -0.552 0.000 0.900 237 T HN 0.722 nan 8.240 nan 0.000 0.503 238 K N 0.021 120.400 120.400 -0.035 0.000 3.088 238 K HA -0.117 4.203 4.320 -0.000 0.000 0.273 238 K C -0.699 175.905 176.600 0.008 0.000 1.111 238 K CA 0.265 56.565 56.287 0.023 0.000 0.803 238 K CB -2.114 30.442 32.500 0.093 0.000 1.226 238 K HN 0.397 nan 8.250 nan 0.000 0.485 239 V N 1.680 121.559 119.914 -0.058 0.000 2.427 239 V HA 0.311 4.431 4.120 -0.000 0.000 0.286 239 V C -1.561 174.481 176.094 -0.086 0.000 1.034 239 V CA -1.460 60.784 62.300 -0.094 0.000 0.893 239 V CB 1.395 33.057 31.823 -0.268 0.000 0.982 239 V HN 0.044 nan 8.190 nan 0.000 0.452 240 P HA 0.500 nan 4.420 nan 0.000 0.286 240 P C -1.204 176.080 177.300 -0.025 0.000 1.269 240 P CA -0.605 62.478 63.100 -0.028 0.000 0.787 240 P CB 1.150 32.846 31.700 -0.005 0.000 0.920 241 R N 0.661 121.150 120.500 -0.019 0.000 2.725 241 R HA 0.463 4.803 4.340 -0.000 0.000 0.277 241 R C -0.399 175.908 176.300 0.011 0.000 0.987 241 R CA -0.832 55.267 56.100 -0.000 0.000 0.901 241 R CB 0.217 30.513 30.300 -0.006 0.000 1.207 241 R HN 0.151 nan 8.270 nan 0.000 0.463 242 N N 1.804 120.519 118.700 0.025 0.000 3.083 242 N HA 0.062 4.802 4.740 -0.000 0.000 0.260 242 N C -0.292 175.240 175.510 0.036 0.000 1.163 242 N CA 0.070 53.136 53.050 0.026 0.000 1.060 242 N CB 0.655 39.159 38.487 0.029 0.000 1.345 242 N HN 0.724 nan 8.380 nan 0.000 0.515 243 T N 2.394 116.965 114.554 0.029 0.000 2.693 243 T HA -0.290 4.060 4.350 -0.000 0.000 0.263 243 T C 1.599 176.330 174.700 0.051 0.000 1.046 243 T CA 1.844 63.965 62.100 0.035 0.000 1.160 243 T CB 0.025 68.892 68.868 -0.001 0.000 0.853 243 T HN 0.530 nan 8.240 nan 0.000 0.462 244 R N 1.477 121.998 120.500 0.035 0.000 2.081 244 R HA 0.173 4.513 4.340 -0.000 0.000 0.235 244 R C 2.737 179.071 176.300 0.056 0.000 1.131 244 R CA 1.316 57.439 56.100 0.039 0.000 0.960 244 R CB -0.933 29.383 30.300 0.026 0.000 0.856 244 R HN 0.470 nan 8.270 nan 0.000 0.436 245 A N 1.209 124.060 122.820 0.052 0.000 1.877 245 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 245 A C 1.994 179.619 177.584 0.068 0.000 1.186 245 A CA 1.131 53.199 52.037 0.052 0.000 0.620 245 A CB -0.504 18.522 19.000 0.044 0.000 0.822 245 A HN 0.103 nan 8.150 nan 0.000 0.443 246 L N 0.048 121.325 121.223 0.089 0.000 2.012 246 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 246 L C 2.623 179.587 176.870 0.157 0.000 1.073 246 L CA 1.728 56.634 54.840 0.109 0.000 0.748 246 L CB -1.600 40.560 42.059 0.167 0.000 0.891 246 L HN 0.282 nan 8.230 nan 0.000 0.431 247 V N 0.098 120.155 119.914 0.240 0.000 2.594 247 V HA -0.215 3.904 4.120 -0.000 0.000 0.253 247 V C 2.748 178.939 176.094 0.162 0.000 1.069 247 V CA 1.365 63.826 62.300 0.267 0.000 1.082 247 V CB -1.094 30.822 31.823 0.155 0.000 0.680 247 V HN 0.448 nan 8.190 nan 0.000 0.469 248 A N 0.867 123.750 122.820 0.105 0.000 1.898 248 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 248 A C 2.418 180.040 177.584 0.064 0.000 1.183 248 A CA 1.411 53.495 52.037 0.078 0.000 0.622 248 A CB -1.109 17.924 19.000 0.055 0.000 0.824 248 A HN 0.499 nan 8.150 nan 0.000 0.444 249 G N -0.691 108.137 108.800 0.046 0.000 2.479 249 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.220 249 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.220 249 G C 1.315 176.228 174.900 0.022 0.000 1.115 249 G CA 1.322 46.438 45.100 0.027 0.000 0.757 249 G HN 0.324 nan 8.290 nan 0.000 0.560 250 V N 0.124 120.055 119.914 0.028 0.000 2.599 250 V HA 0.031 4.151 4.120 -0.000 0.000 0.245 250 V C 2.647 178.787 176.094 0.078 0.000 1.046 250 V CA 1.436 63.754 62.300 0.030 0.000 1.065 250 V CB -0.084 31.759 31.823 0.033 0.000 0.703 250 V HN 0.313 nan 8.190 nan 0.000 0.464 251 R N 1.582 122.167 120.500 0.142 0.000 2.083 251 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 251 R C 1.995 178.337 176.300 0.070 0.000 1.137 251 R CA 2.018 58.216 56.100 0.164 0.000 0.951 251 R CB -0.632 29.760 30.300 0.154 0.000 0.851 251 R HN 0.552 nan 8.270 nan 0.000 0.434 252 N N 0.170 118.897 118.700 0.045 0.000 2.092 252 N HA -0.153 4.587 4.740 -0.000 0.000 0.189 252 N C 1.754 177.264 175.510 -0.001 0.000 1.040 252 N CA 1.340 54.397 53.050 0.011 0.000 0.845 252 N CB -0.461 38.029 38.487 0.004 0.000 1.017 252 N HN 0.217 nan 8.380 nan 0.000 0.426 253 R N 0.926 121.445 120.500 0.031 0.000 2.174 253 R HA -0.166 4.174 4.340 -0.000 0.000 0.253 253 R C 2.113 178.473 176.300 0.100 0.000 1.165 253 R CA 1.107 57.267 56.100 0.099 0.000 0.984 253 R CB -0.293 30.077 30.300 0.117 0.000 0.873 253 R HN 0.137 nan 8.270 nan 0.000 0.456 254 L N 0.146 121.378 121.223 0.015 0.000 2.027 254 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 254 L C 1.882 178.745 176.870 -0.011 0.000 1.074 254 L CA 1.634 56.459 54.840 -0.026 0.000 0.745 254 L CB -0.438 41.528 42.059 -0.156 0.000 0.898 254 L HN 0.197 nan 8.230 nan 0.000 0.433 255 L N 0.009 121.216 121.223 -0.027 0.000 2.056 255 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 255 L C 2.517 179.334 176.870 -0.088 0.000 1.078 255 L CA 1.814 56.630 54.840 -0.039 0.000 0.749 255 L CB -1.371 40.669 42.059 -0.030 0.000 0.901 255 L HN 0.463 nan 8.230 nan 0.000 0.433 256 K N -0.645 119.661 120.400 -0.157 0.000 2.280 256 K HA -0.160 4.160 4.320 -0.000 0.000 0.202 256 K C 0.018 176.273 176.600 -0.575 0.000 1.047 256 K CA 1.056 57.111 56.287 -0.388 0.000 0.942 256 K CB 0.164 32.366 32.500 -0.497 0.000 0.739 256 K HN 0.118 nan 8.250 nan 0.000 0.457 257 F N 0.621 120.552 119.950 -0.031 0.000 2.566 257 F HA 0.277 4.804 4.527 0.000 0.000 0.347 257 F C -1.922 173.854 175.800 -0.040 0.000 1.515 257 F CA -2.568 55.411 58.000 -0.034 0.000 1.103 257 F CB 1.390 40.367 39.000 -0.038 0.000 1.385 257 F HN -0.074 nan 8.300 nan 0.000 0.560 258 P HA -0.271 nan 4.420 nan 0.000 0.214 258 P C 1.019 178.346 177.300 0.044 0.000 1.164 258 P CA 2.012 65.141 63.100 0.048 0.000 0.942 258 P CB 0.463 32.178 31.700 0.025 0.000 0.791 259 E N -1.157 119.073 120.200 0.050 0.000 2.409 259 E HA -0.035 4.315 4.350 -0.000 0.000 0.198 259 E C 2.081 178.685 176.600 0.006 0.000 1.024 259 E CA 0.573 56.987 56.400 0.024 0.000 0.861 259 E CB -0.694 29.019 29.700 0.021 0.000 0.788 259 E HN 0.385 nan 8.360 nan 0.000 0.521 260 I N -0.936 119.644 120.570 0.015 0.000 2.385 260 I HA -0.142 4.028 4.170 -0.000 0.000 0.244 260 I C 1.858 177.942 176.117 -0.055 0.000 1.089 260 I CA 0.405 61.675 61.300 -0.049 0.000 1.410 260 I CB -0.049 37.870 38.000 -0.135 0.000 1.117 260 I HN -0.030 nan 8.210 nan 0.000 0.429 261 V N 1.175 121.077 119.914 -0.020 0.000 2.283 261 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 261 V C 2.765 178.831 176.094 -0.046 0.000 1.039 261 V CA 1.764 64.041 62.300 -0.038 0.000 1.016 261 V CB -1.169 30.644 31.823 -0.017 0.000 0.650 261 V HN 0.448 nan 8.190 nan 0.000 0.449 262 A N 0.983 123.782 122.820 -0.035 0.000 1.881 262 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 262 A C 0.635 178.205 177.584 -0.024 0.000 1.215 262 A CA 2.790 54.806 52.037 -0.034 0.000 0.648 262 A CB -2.201 16.788 19.000 -0.018 0.000 0.832 262 A HN 0.544 nan 8.150 nan 0.000 0.455 263 P HA -0.140 nan 4.420 nan 0.000 0.215 263 P C 1.695 178.982 177.300 -0.022 0.000 1.157 263 P CA 1.068 64.156 63.100 -0.020 0.000 0.868 263 P CB -0.135 31.549 31.700 -0.027 0.000 0.788 264 L N -0.795 120.398 121.223 -0.049 0.000 2.013 264 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 264 L C 2.214 179.088 176.870 0.006 0.000 1.073 264 L CA 1.870 56.668 54.840 -0.071 0.000 0.753 264 L CB -1.369 40.620 42.059 -0.116 0.000 0.890 264 L HN -0.112 nan 8.230 nan 0.000 0.432 265 L N -1.536 119.688 121.223 0.001 0.000 2.017 265 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 265 L C 2.394 179.288 176.870 0.041 0.000 1.073 265 L CA 1.878 56.735 54.840 0.029 0.000 0.745 265 L CB -1.159 40.900 42.059 0.000 0.000 0.894 265 L HN 0.281 nan 8.230 nan 0.000 0.432 266 T N -1.111 113.458 114.554 0.025 0.000 2.665 266 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 266 T C 2.170 176.891 174.700 0.035 0.000 1.035 266 T CA 1.930 64.045 62.100 0.024 0.000 1.151 266 T CB -0.251 68.626 68.868 0.015 0.000 0.862 266 T HN 0.301 nan 8.240 nan 0.000 0.438 267 S N 0.415 116.151 115.700 0.060 0.000 2.370 267 S HA -0.077 4.393 4.470 -0.000 0.000 0.226 267 S C 2.027 176.694 174.600 0.111 0.000 1.033 267 S CA 1.077 59.341 58.200 0.107 0.000 1.011 267 S CB -0.519 62.792 63.200 0.184 0.000 0.852 267 S HN 0.479 nan 8.310 nan 0.000 0.457 268 I N 1.522 122.184 120.570 0.154 0.000 2.286 268 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 268 I C 2.474 178.593 176.117 0.003 0.000 1.115 268 I CA 1.519 62.874 61.300 0.092 0.000 1.392 268 I CB -0.424 37.654 38.000 0.129 0.000 1.065 268 I HN 0.436 nan 8.210 nan 0.000 0.418 269 D N 1.598 122.001 120.400 0.005 0.000 2.078 269 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 269 D C 2.201 178.469 176.300 -0.053 0.000 0.990 269 D CA 1.802 55.783 54.000 -0.033 0.000 0.827 269 D CB 0.140 40.926 40.800 -0.024 0.000 0.975 269 D HN 0.298 nan 8.370 nan 0.000 0.451 270 A N 0.675 123.472 122.820 -0.039 0.000 2.032 270 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 270 A C 2.544 180.068 177.584 -0.100 0.000 1.165 270 A CA 1.052 53.058 52.037 -0.053 0.000 0.645 270 A CB -0.743 18.238 19.000 -0.032 0.000 0.807 270 A HN 0.425 nan 8.150 nan 0.000 0.453 271 I N -0.592 119.893 120.570 -0.142 0.000 2.202 271 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 271 I C 2.695 178.627 176.117 -0.308 0.000 1.091 271 I CA 1.459 62.600 61.300 -0.265 0.000 1.368 271 I CB -0.248 37.541 38.000 -0.352 0.000 1.058 271 I HN 0.249 nan 8.210 nan 0.000 0.410 272 S N 0.793 116.378 115.700 -0.193 0.000 2.356 272 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 272 S C 1.865 176.420 174.600 -0.075 0.000 1.032 272 S CA 1.256 59.401 58.200 -0.092 0.000 1.005 272 S CB -0.315 62.866 63.200 -0.032 0.000 0.867 272 S HN 0.195 nan 8.310 nan 0.000 0.449 273 L N 1.409 122.586 121.223 -0.076 0.000 2.131 273 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 273 L C 2.402 179.237 176.870 -0.058 0.000 1.092 273 L CA 1.546 56.354 54.840 -0.053 0.000 0.759 273 L CB -0.867 41.167 42.059 -0.042 0.000 0.903 273 L HN 0.263 nan 8.230 nan 0.000 0.435 274 E N -1.332 118.815 120.200 -0.088 0.000 2.076 274 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 274 E C 2.400 178.948 176.600 -0.087 0.000 0.979 274 E CA 1.115 57.463 56.400 -0.087 0.000 0.807 274 E CB -0.418 29.217 29.700 -0.107 0.000 0.761 274 E HN 0.438 nan 8.360 nan 0.000 0.454 275 C N 0.857 120.088 119.300 -0.116 0.000 2.413 275 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 275 C C 2.600 177.578 174.990 -0.020 0.000 1.228 275 C CA 1.699 60.682 59.018 -0.058 0.000 1.731 275 C CB -1.134 26.624 27.740 0.029 0.000 2.042 275 C HN 0.705 nan 8.230 nan 0.000 0.468 276 E N 0.463 120.656 120.200 -0.011 0.000 2.068 276 E HA -0.333 4.017 4.350 -0.000 0.000 0.207 276 E C 2.492 179.080 176.600 -0.020 0.000 1.032 276 E CA 2.006 58.401 56.400 -0.008 0.000 0.839 276 E CB -0.507 29.188 29.700 -0.008 0.000 0.758 276 E HN 0.649 nan 8.360 nan 0.000 0.457 277 R N 0.145 120.629 120.500 -0.026 0.000 2.154 277 R HA -0.233 4.107 4.340 -0.000 0.000 0.236 277 R C 2.352 178.635 176.300 -0.029 0.000 1.121 277 R CA 2.494 58.579 56.100 -0.026 0.000 0.915 277 R CB -0.857 29.426 30.300 -0.029 0.000 0.856 277 R HN 0.239 nan 8.270 nan 0.000 0.431 278 V N 1.792 121.683 119.914 -0.038 0.000 2.277 278 V HA -0.322 3.798 4.120 -0.000 0.000 0.253 278 V C 2.553 178.615 176.094 -0.054 0.000 1.067 278 V CA 2.253 64.526 62.300 -0.046 0.000 1.047 278 V CB -0.556 31.231 31.823 -0.061 0.000 0.649 278 V HN 0.388 nan 8.190 nan 0.000 0.447 279 L N 0.413 121.604 121.223 -0.053 0.000 2.046 279 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 279 L C 2.285 179.135 176.870 -0.033 0.000 1.077 279 L CA 1.611 56.419 54.840 -0.054 0.000 0.747 279 L CB -1.053 40.983 42.059 -0.039 0.000 0.896 279 L HN 0.517 nan 8.230 nan 0.000 0.432 280 G N -0.542 108.244 108.800 -0.023 0.000 3.229 280 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 280 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 280 G C 0.872 175.765 174.900 -0.012 0.000 1.256 280 G CA 0.193 45.285 45.100 -0.015 0.000 1.042 280 G HN 0.507 nan 8.290 nan 0.000 0.497 281 E N -1.390 118.802 120.200 -0.014 0.000 2.641 281 E HA 0.081 4.431 4.350 -0.000 0.000 0.201 281 E C 1.903 178.503 176.600 -0.000 0.000 0.921 281 E CA -0.135 56.262 56.400 -0.006 0.000 1.551 281 E CB 0.141 29.837 29.700 -0.007 0.000 1.640 281 E HN 0.400 nan 8.360 nan 0.000 0.906 282 M N 0.657 120.247 119.600 -0.016 0.000 2.506 282 M HA 0.123 4.603 4.480 -0.000 0.000 0.260 282 M C 2.062 178.367 176.300 0.008 0.000 1.104 282 M CA 0.939 56.233 55.300 -0.010 0.000 1.112 282 M CB 0.093 32.641 32.600 -0.087 0.000 1.401 282 M HN 0.120 nan 8.290 nan 0.000 0.473 283 G N 0.837 109.638 108.800 0.001 0.000 2.516 283 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.221 283 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.221 283 G C 1.183 176.096 174.900 0.021 0.000 1.107 283 G CA 1.267 46.373 45.100 0.010 0.000 0.747 283 G HN 0.420 nan 8.290 nan 0.000 0.567 284 E N 0.018 120.232 120.200 0.024 0.000 2.098 284 E HA 0.547 4.897 4.350 -0.000 0.000 0.196 284 E C 1.099 177.724 176.600 0.041 0.000 0.955 284 E CA 0.531 56.948 56.400 0.029 0.000 0.936 284 E CB 0.101 29.815 29.700 0.023 0.000 1.054 284 E HN 0.252 nan 8.360 nan 0.000 0.482 285 A N 1.069 123.918 122.820 0.048 0.000 2.337 285 A HA 0.609 4.929 4.320 -0.000 0.000 0.331 285 A C -2.457 175.190 177.584 0.105 0.000 1.137 285 A CA -1.606 50.469 52.037 0.064 0.000 0.807 285 A CB 0.643 19.673 19.000 0.050 0.000 1.250 285 A HN -0.009 nan 8.150 nan 0.000 0.468 286 P HA 0.340 nan 4.420 nan 0.000 0.232 286 P C -0.465 176.980 177.300 0.243 0.000 1.814 286 P CA 0.055 63.327 63.100 0.287 0.000 1.085 286 P CB 0.516 32.343 31.700 0.211 0.000 1.901 287 A N 4.251 127.205 122.820 0.223 0.000 2.473 287 A HA 0.217 4.537 4.320 -0.000 0.000 0.282 287 A C -1.104 176.615 177.584 0.224 0.000 1.163 287 A CA -0.891 51.239 52.037 0.155 0.000 0.827 287 A CB -0.329 18.733 19.000 0.104 0.000 1.098 287 A HN 0.283 nan 8.150 nan 0.000 0.515 288 P HA -0.232 nan 4.420 nan 0.000 0.218 288 P C 1.032 178.410 177.300 0.130 0.000 1.150 288 P CA 1.770 64.902 63.100 0.054 0.000 0.841 288 P CB 0.219 31.911 31.700 -0.014 0.000 0.784 289 E N -0.624 119.640 120.200 0.108 0.000 2.106 289 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 289 E C 2.139 178.799 176.600 0.100 0.000 0.984 289 E CA 0.852 57.301 56.400 0.082 0.000 0.806 289 E CB -0.466 29.265 29.700 0.052 0.000 0.750 289 E HN 0.422 nan 8.360 nan 0.000 0.458 290 Q N -0.138 119.740 119.800 0.129 0.000 2.135 290 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 290 Q C 1.733 177.765 176.000 0.053 0.000 0.981 290 Q CA 1.449 57.292 55.803 0.066 0.000 0.856 290 Q CB -0.151 28.606 28.738 0.031 0.000 0.902 290 Q HN 0.377 nan 8.270 nan 0.000 0.425 291 Y N 0.230 120.532 120.300 0.003 0.000 2.263 291 Y HA -0.134 4.416 4.550 -0.000 0.000 0.292 291 Y C 1.983 177.878 175.900 -0.008 0.000 1.130 291 Y CA 0.720 58.823 58.100 0.005 0.000 1.179 291 Y CB -0.230 38.240 38.460 0.016 0.000 0.998 291 Y HN 0.061 nan 8.280 nan 0.000 0.532 292 L N -1.085 120.232 121.223 0.157 0.000 2.046 292 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 292 L C 2.241 179.108 176.870 -0.006 0.000 1.077 292 L CA 1.007 55.883 54.840 0.061 0.000 0.747 292 L CB -0.812 41.277 42.059 0.050 0.000 0.896 292 L HN 0.087 nan 8.230 nan 0.000 0.432 293 V N -0.356 119.560 119.914 0.002 0.000 2.392 293 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 293 V C 2.427 178.487 176.094 -0.057 0.000 1.059 293 V CA 1.343 63.624 62.300 -0.033 0.000 1.051 293 V CB -0.450 31.358 31.823 -0.025 0.000 0.658 293 V HN 0.249 nan 8.190 nan 0.000 0.455 294 L N 0.767 121.963 121.223 -0.046 0.000 1.994 294 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 294 L C 2.749 179.593 176.870 -0.043 0.000 1.071 294 L CA 2.348 57.164 54.840 -0.040 0.000 0.745 294 L CB -1.090 40.934 42.059 -0.057 0.000 0.892 294 L HN 0.628 nan 8.230 nan 0.000 0.431 295 E N -0.728 119.421 120.200 -0.084 0.000 2.106 295 E HA -0.287 4.063 4.350 -0.000 0.000 0.192 295 E C 1.938 178.316 176.600 -0.369 0.000 0.984 295 E CA 1.301 57.572 56.400 -0.215 0.000 0.806 295 E CB -0.519 29.005 29.700 -0.293 0.000 0.750 295 E HN 0.609 nan 8.360 nan 0.000 0.458 296 E N 0.934 120.964 120.200 -0.283 0.000 2.204 296 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 296 E C 2.085 178.611 176.600 -0.123 0.000 0.990 296 E CA 0.739 57.020 56.400 -0.199 0.000 0.821 296 E CB 0.023 29.654 29.700 -0.116 0.000 0.750 296 E HN 0.340 nan 8.360 nan 0.000 0.477 297 L N 0.099 121.257 121.223 -0.110 0.000 2.270 297 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 297 L C 2.210 179.053 176.870 -0.045 0.000 1.104 297 L CA 0.238 55.009 54.840 -0.115 0.000 0.804 297 L CB -0.055 41.914 42.059 -0.151 0.000 0.937 297 L HN 0.233 nan 8.230 nan 0.000 0.450 298 I N -0.158 120.423 120.570 0.018 0.000 2.179 298 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 298 I C 2.069 178.196 176.117 0.017 0.000 1.088 298 I CA 1.163 62.511 61.300 0.081 0.000 1.357 298 I CB -0.260 37.776 38.000 0.061 0.000 1.051 298 I HN 0.249 nan 8.210 nan 0.000 0.409 299 D N 0.862 121.260 120.400 -0.003 0.000 2.120 299 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 299 D C 2.312 178.607 176.300 -0.009 0.000 0.994 299 D CA 1.646 55.649 54.000 0.005 0.000 0.838 299 D CB -0.413 40.454 40.800 0.113 0.000 0.976 299 D HN 0.233 nan 8.370 nan 0.000 0.447 300 M N 0.316 119.934 119.600 0.031 0.000 2.116 300 M HA -0.218 4.262 4.480 -0.000 0.000 0.255 300 M C 1.977 178.162 176.300 -0.191 0.000 1.075 300 M CA 1.251 56.535 55.300 -0.027 0.000 1.087 300 M CB -0.664 31.825 32.600 -0.184 0.000 1.340 300 M HN 0.044 nan 8.290 nan 0.000 0.402 301 N N 0.476 119.068 118.700 -0.180 0.000 2.166 301 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 301 N C 1.682 177.202 175.510 0.017 0.000 1.019 301 N CA 1.635 54.628 53.050 -0.095 0.000 0.856 301 N CB -0.100 38.421 38.487 0.057 0.000 0.993 301 N HN 0.385 nan 8.380 nan 0.000 0.426 302 Q N 0.415 120.194 119.800 -0.036 0.000 1.942 302 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 302 Q C 1.960 177.955 176.000 -0.007 0.000 0.987 302 Q CA 1.660 57.422 55.803 -0.068 0.000 0.844 302 Q CB -0.671 27.942 28.738 -0.208 0.000 0.911 302 Q HN 0.434 nan 8.270 nan 0.000 0.423 303 H N -0.561 118.576 119.070 0.111 0.000 2.325 303 H HA -0.188 4.368 4.556 -0.000 0.000 0.293 303 H C 2.152 177.584 175.328 0.172 0.000 1.106 303 H CA 1.954 58.080 56.048 0.129 0.000 1.247 303 H CB -0.662 29.186 29.762 0.143 0.000 1.359 303 H HN 0.479 nan 8.280 nan 0.000 0.488 304 H N 0.228 119.373 119.070 0.125 0.000 2.352 304 H HA -0.074 4.482 4.556 0.000 0.000 0.299 304 H C 2.728 178.081 175.328 0.042 0.000 1.097 304 H CA 1.062 57.149 56.048 0.065 0.000 1.311 304 H CB -0.576 29.215 29.762 0.049 0.000 1.377 304 H HN 0.210 nan 8.280 nan 0.000 0.504 305 L N -0.083 121.246 121.223 0.178 0.000 2.083 305 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 305 L C 1.912 178.814 176.870 0.054 0.000 1.083 305 L CA 1.442 56.340 54.840 0.096 0.000 0.752 305 L CB -0.424 41.688 42.059 0.088 0.000 0.899 305 L HN 0.387 nan 8.230 nan 0.000 0.433 306 N N -0.201 118.544 118.700 0.074 0.000 2.223 306 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 306 N C 1.898 177.426 175.510 0.030 0.000 1.016 306 N CA 0.902 53.987 53.050 0.058 0.000 0.863 306 N CB -0.128 38.416 38.487 0.096 0.000 0.983 306 N HN 0.315 nan 8.380 nan 0.000 0.429 307 A N 0.896 123.733 122.820 0.027 0.000 2.019 307 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 307 A C 1.918 179.478 177.584 -0.040 0.000 1.164 307 A CA 0.908 52.928 52.037 -0.029 0.000 0.644 307 A CB -0.385 18.568 19.000 -0.078 0.000 0.805 307 A HN 0.220 nan 8.150 nan 0.000 0.449 308 L N -1.015 120.191 121.223 -0.027 0.000 2.599 308 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 308 L C 1.443 178.280 176.870 -0.056 0.000 1.141 308 L CA 0.444 55.255 54.840 -0.049 0.000 0.877 308 L CB -0.402 41.615 42.059 -0.071 0.000 1.009 308 L HN 0.575 nan 8.230 nan 0.000 0.447 309 G N 1.175 109.955 108.800 -0.033 0.000 2.298 309 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 309 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 309 G C 0.432 175.310 174.900 -0.036 0.000 1.075 309 G CA 0.402 45.489 45.100 -0.021 0.000 0.960 309 G HN 0.381 nan 8.290 nan 0.000 0.502 310 V N -2.414 117.473 119.914 -0.045 0.000 3.166 310 V HA 0.740 4.860 4.120 -0.000 0.000 0.332 310 V C 1.113 177.225 176.094 0.030 0.000 1.434 310 V CA 0.734 63.006 62.300 -0.047 0.000 1.121 310 V CB 0.145 31.850 31.823 -0.198 0.000 1.062 310 V HN 1.121 nan 8.190 nan 0.000 0.489 311 G N -0.178 108.649 108.800 0.044 0.000 2.531 311 G HA2 0.618 4.578 3.960 -0.000 0.000 0.281 311 G HA3 0.618 4.578 3.960 -0.000 0.000 0.281 311 G C -0.947 174.041 174.900 0.147 0.000 1.382 311 G CA -0.357 44.790 45.100 0.079 0.000 1.045 311 G HN 0.655 nan 8.290 nan 0.000 0.533 312 H N -2.414 116.668 119.070 0.021 0.000 3.005 312 H HA 0.356 4.912 4.556 -0.000 0.000 0.311 312 H C 0.949 176.302 175.328 0.041 0.000 1.366 312 H CA 0.080 56.145 56.048 0.029 0.000 1.210 312 H CB 1.401 31.179 29.762 0.025 0.000 1.894 312 H HN 0.657 nan 8.280 nan 0.000 0.520 313 A N 2.167 124.756 122.820 -0.385 0.000 1.884 313 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 313 A C 2.278 180.020 177.584 0.263 0.000 1.197 313 A CA 3.346 55.342 52.037 -0.070 0.000 0.637 313 A CB -1.150 17.727 19.000 -0.205 0.000 0.827 313 A HN 0.810 nan 8.150 nan 0.000 0.450 314 S N 0.412 116.496 115.700 0.640 0.000 2.353 314 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 314 S C 1.861 176.615 174.600 0.257 0.000 1.035 314 S CA 1.711 60.188 58.200 0.462 0.000 1.025 314 S CB -0.992 62.379 63.200 0.286 0.000 0.902 314 S HN 0.463 nan 8.310 nan 0.000 0.440 315 L N 1.785 123.106 121.223 0.163 0.000 2.083 315 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 315 L C 2.554 179.470 176.870 0.078 0.000 1.083 315 L CA 1.549 56.420 54.840 0.051 0.000 0.752 315 L CB -0.831 41.255 42.059 0.046 0.000 0.899 315 L HN 0.257 nan 8.230 nan 0.000 0.433 316 D N -0.304 120.162 120.400 0.110 0.000 2.117 316 D HA -0.234 4.406 4.640 -0.000 0.000 0.197 316 D C 2.164 178.524 176.300 0.100 0.000 0.987 316 D CA 1.257 55.309 54.000 0.087 0.000 0.829 316 D CB -0.049 40.797 40.800 0.076 0.000 0.961 316 D HN 0.419 nan 8.370 nan 0.000 0.460 317 Q N 0.446 120.334 119.800 0.146 0.000 2.079 317 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 317 Q C 2.405 178.516 176.000 0.186 0.000 0.974 317 Q CA 0.590 56.491 55.803 0.163 0.000 0.840 317 Q CB -0.093 28.773 28.738 0.213 0.000 0.898 317 Q HN 0.267 nan 8.270 nan 0.000 0.430 318 L N 0.183 121.531 121.223 0.208 0.000 1.944 318 L HA -0.283 4.057 4.340 -0.000 0.000 0.218 318 L C 2.374 179.292 176.870 0.081 0.000 1.075 318 L CA 1.919 56.847 54.840 0.148 0.000 0.767 318 L CB -0.591 41.464 42.059 -0.007 0.000 0.890 318 L HN 0.449 nan 8.230 nan 0.000 0.434 319 C N -0.075 119.252 119.300 0.045 0.000 2.397 319 C HA -0.192 4.268 4.460 -0.000 0.000 0.286 319 C C 2.715 177.719 174.990 0.024 0.000 1.308 319 C CA 1.149 60.180 59.018 0.022 0.000 1.805 319 C CB -1.237 26.506 27.740 0.004 0.000 1.952 319 C HN 0.668 nan 8.230 nan 0.000 0.518 320 Q N 0.709 120.537 119.800 0.047 0.000 2.061 320 Q HA -0.092 4.248 4.340 -0.000 0.000 0.195 320 Q C 2.307 178.324 176.000 0.028 0.000 0.967 320 Q CA 1.673 57.499 55.803 0.038 0.000 0.829 320 Q CB -0.173 28.595 28.738 0.049 0.000 0.900 320 Q HN 0.496 nan 8.270 nan 0.000 0.450 321 V N 1.847 121.790 119.914 0.048 0.000 2.380 321 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 321 V C 2.642 178.750 176.094 0.023 0.000 1.063 321 V CA 2.391 64.716 62.300 0.042 0.000 1.055 321 V CB -1.447 30.419 31.823 0.071 0.000 0.657 321 V HN 0.636 nan 8.190 nan 0.000 0.455 322 T N -1.408 113.158 114.554 0.019 0.000 3.014 322 T HA -0.129 4.221 4.350 -0.000 0.000 0.263 322 T C 1.878 176.544 174.700 -0.057 0.000 1.078 322 T CA 1.008 63.104 62.100 -0.006 0.000 1.135 322 T CB -0.211 68.658 68.868 0.003 0.000 0.895 322 T HN 0.341 nan 8.240 nan 0.000 0.480 323 R N 1.488 121.947 120.500 -0.069 0.000 2.148 323 R HA 0.366 4.706 4.340 -0.000 0.000 0.223 323 R C 2.462 178.712 176.300 -0.083 0.000 1.088 323 R CA 1.106 57.128 56.100 -0.131 0.000 0.985 323 R CB -0.902 29.346 30.300 -0.087 0.000 0.880 323 R HN 0.461 nan 8.270 nan 0.000 0.451 324 A N 0.372 123.169 122.820 -0.038 0.000 2.015 324 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 324 A C 1.395 178.966 177.584 -0.021 0.000 1.163 324 A CA 1.067 53.092 52.037 -0.020 0.000 0.646 324 A CB -0.165 18.832 19.000 -0.004 0.000 0.806 324 A HN 0.149 nan 8.150 nan 0.000 0.448 325 R N -1.081 119.404 120.500 -0.026 0.000 2.334 325 R HA 0.219 4.559 4.340 -0.000 0.000 0.216 325 R C 1.017 177.300 176.300 -0.028 0.000 0.905 325 R CA 0.352 56.442 56.100 -0.017 0.000 1.064 325 R CB -0.947 29.349 30.300 -0.006 0.000 1.046 325 R HN 0.828 nan 8.270 nan 0.000 0.508 326 G N 1.478 110.240 108.800 -0.064 0.000 2.212 326 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.255 326 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.255 326 G C -0.298 174.547 174.900 -0.091 0.000 1.062 326 G CA -0.125 44.925 45.100 -0.083 0.000 0.815 326 G HN 0.238 nan 8.290 nan 0.000 0.497 327 L N 1.576 122.719 121.223 -0.134 0.000 2.377 327 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 327 L C 0.336 177.132 176.870 -0.124 0.000 0.991 327 L CA -1.104 53.698 54.840 -0.063 0.000 0.851 327 L CB 1.118 43.172 42.059 -0.009 0.000 1.218 327 L HN 0.183 nan 8.230 nan 0.000 0.420 328 H N 1.884 120.974 119.070 0.034 0.000 2.764 328 H HA 0.346 4.902 4.556 -0.000 0.000 0.341 328 H C -0.363 174.973 175.328 0.012 0.000 1.072 328 H CA 0.078 56.141 56.048 0.025 0.000 1.444 328 H CB 1.515 31.295 29.762 0.030 0.000 1.458 328 H HN 0.531 nan 8.280 nan 0.000 0.572 329 S N 2.033 117.788 115.700 0.090 0.000 2.667 329 S HA 0.603 5.073 4.470 -0.000 0.000 0.292 329 S C -0.505 174.104 174.600 0.014 0.000 1.126 329 S CA -1.104 57.118 58.200 0.037 0.000 0.881 329 S CB 2.772 65.977 63.200 0.008 0.000 1.132 329 S HN 0.709 nan 8.310 nan 0.000 0.492 330 K N 0.045 120.437 120.400 -0.012 0.000 2.589 330 K HA 0.492 4.812 4.320 -0.000 0.000 0.265 330 K C -1.189 175.389 176.600 -0.036 0.000 0.935 330 K CA -1.011 55.260 56.287 -0.027 0.000 0.850 330 K CB 0.469 32.958 32.500 -0.018 0.000 1.372 330 K HN 0.472 nan 8.250 nan 0.000 0.420 331 L N -0.152 121.054 121.223 -0.029 0.000 2.473 331 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 331 L C -0.112 176.741 176.870 -0.028 0.000 1.215 331 L CA 0.548 55.369 54.840 -0.031 0.000 0.823 331 L CB 1.093 43.148 42.059 -0.006 0.000 1.099 331 L HN 0.794 nan 8.230 nan 0.000 0.483 332 T N 1.013 115.545 114.554 -0.037 0.000 2.928 332 T HA 0.705 5.055 4.350 -0.000 0.000 0.296 332 T C -0.090 174.590 174.700 -0.033 0.000 1.000 332 T CA 0.376 62.451 62.100 -0.041 0.000 0.989 332 T CB 0.316 69.148 68.868 -0.061 0.000 1.005 332 T HN 1.797 nan 8.240 nan 0.000 0.442 333 G N 3.310 112.094 108.800 -0.027 0.000 2.501 333 G HA2 0.160 4.120 3.960 -0.000 0.000 0.213 333 G HA3 0.160 4.120 3.960 -0.000 0.000 0.213 333 G C 1.008 175.890 174.900 -0.029 0.000 1.158 333 G CA 0.169 45.243 45.100 -0.043 0.000 1.079 333 G HN 1.461 nan 8.290 nan 0.000 0.586 334 A N -0.305 122.508 122.820 -0.013 0.000 1.969 334 A HA 0.526 4.846 4.320 -0.000 0.000 0.218 334 A C 2.698 180.417 177.584 0.224 0.000 1.169 334 A CA 2.683 54.771 52.037 0.084 0.000 0.635 334 A CB -0.999 18.031 19.000 0.049 0.000 0.810 334 A HN 2.960 nan 8.150 nan 0.000 0.445 335 G N -2.371 106.490 108.800 0.102 0.000 2.542 335 G HA2 0.269 4.229 3.960 -0.000 0.000 0.235 335 G HA3 0.269 4.229 3.960 -0.000 0.000 0.235 335 G C 1.258 176.190 174.900 0.054 0.000 1.286 335 G CA 0.729 45.878 45.100 0.082 0.000 0.904 335 G HN 2.011 nan 8.290 nan 0.000 0.577 336 G N -0.821 108.022 108.800 0.071 0.000 2.244 336 G HA2 0.369 4.329 3.960 -0.000 0.000 0.274 336 G HA3 0.369 4.329 3.960 -0.000 0.000 0.274 336 G C 1.653 176.531 174.900 -0.037 0.000 1.002 336 G CA 1.294 46.443 45.100 0.083 0.000 0.740 336 G HN 3.091 nan 8.290 nan 0.000 0.516 337 G N -2.386 106.353 108.800 -0.101 0.000 2.286 337 G HA2 0.560 4.520 3.960 -0.000 0.000 0.118 337 G HA3 0.560 4.520 3.960 -0.000 0.000 0.118 337 G C 1.248 176.059 174.900 -0.149 0.000 1.267 337 G CA 1.128 46.089 45.100 -0.232 0.000 1.171 337 G HN 2.504 nan 8.290 nan 0.000 0.465 338 G N -1.118 107.601 108.800 -0.135 0.000 2.564 338 G HA2 0.019 3.979 3.960 -0.000 0.000 0.273 338 G HA3 0.019 3.979 3.960 -0.000 0.000 0.273 338 G C 0.656 175.470 174.900 -0.144 0.000 1.242 338 G CA 1.063 46.097 45.100 -0.110 0.000 0.951 338 G HN 2.009 nan 8.290 nan 0.000 0.564 339 C N -0.016 119.213 119.300 -0.118 0.000 2.407 339 C HA 0.953 5.413 4.460 -0.000 0.000 0.366 339 C C 1.216 176.133 174.990 -0.123 0.000 1.213 339 C CA 0.485 59.422 59.018 -0.134 0.000 2.011 339 C CB 0.949 28.629 27.740 -0.100 0.000 2.306 339 C HN 1.493 nan 8.230 nan 0.000 0.527 340 G N -0.133 108.590 108.800 -0.128 0.000 3.140 340 G HA2 0.814 4.774 3.960 -0.000 0.000 0.271 340 G HA3 0.814 4.774 3.960 -0.000 0.000 0.271 340 G C -1.547 173.309 174.900 -0.073 0.000 1.370 340 G CA -0.293 44.748 45.100 -0.099 0.000 1.014 340 G HN 0.503 nan 8.290 nan 0.000 0.541 341 I N 0.010 120.548 120.570 -0.054 0.000 2.656 341 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 341 I C -0.783 175.326 176.117 -0.014 0.000 1.144 341 I CA -0.506 60.770 61.300 -0.039 0.000 1.038 341 I CB 1.865 39.833 38.000 -0.053 0.000 1.244 341 I HN 0.342 nan 8.210 nan 0.000 0.420 342 T N 5.886 120.442 114.554 0.003 0.000 2.881 342 T HA 0.439 4.789 4.350 -0.000 0.000 0.291 342 T C -0.591 174.136 174.700 0.045 0.000 0.990 342 T CA -0.400 61.717 62.100 0.029 0.000 0.976 342 T CB 1.827 70.711 68.868 0.027 0.000 0.970 342 T HN 0.286 nan 8.240 nan 0.000 0.438 343 L N 4.490 125.756 121.223 0.072 0.000 2.319 343 L HA 0.547 4.887 4.340 -0.000 0.000 0.280 343 L C -1.024 175.911 176.870 0.107 0.000 1.099 343 L CA -0.203 54.690 54.840 0.089 0.000 0.828 343 L CB 0.258 42.379 42.059 0.104 0.000 1.150 343 L HN 0.585 nan 8.230 nan 0.000 0.442 344 L N 6.025 127.311 121.223 0.105 0.000 2.305 344 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 344 L C -0.170 176.777 176.870 0.127 0.000 1.013 344 L CA -0.761 54.137 54.840 0.097 0.000 0.819 344 L CB 1.249 43.350 42.059 0.069 0.000 1.227 344 L HN 0.616 nan 8.230 nan 0.000 0.417 345 K N 2.543 123.004 120.400 0.100 0.000 2.087 345 K HA 0.504 4.824 4.320 -0.000 0.000 0.255 345 K C -2.399 174.159 176.600 -0.070 0.000 0.988 345 K CA -1.868 54.437 56.287 0.030 0.000 0.915 345 K CB 0.372 32.860 32.500 -0.020 0.000 1.043 345 K HN 0.142 nan 8.250 nan 0.000 0.457 346 P HA 0.060 nan 4.420 nan 0.000 0.246 346 P C -0.254 176.976 177.300 -0.116 0.000 1.675 346 P CA 0.218 63.226 63.100 -0.153 0.000 0.908 346 P CB -0.169 31.392 31.700 -0.231 0.000 1.890 347 G N -0.562 108.195 108.800 -0.071 0.000 4.406 347 G HA2 0.135 4.095 3.960 -0.000 0.000 0.212 347 G HA3 0.135 4.095 3.960 -0.000 0.000 0.212 347 G C -0.381 174.505 174.900 -0.024 0.000 0.941 347 G CA -0.477 44.593 45.100 -0.049 0.000 0.821 347 G HN 0.214 nan 8.290 nan 0.000 0.429 348 L N -0.476 120.739 121.223 -0.013 0.000 2.399 348 L HA 0.774 5.114 4.340 -0.000 0.000 0.265 348 L C 0.025 176.897 176.870 0.003 0.000 1.089 348 L CA -1.213 53.627 54.840 0.000 0.000 0.802 348 L CB 0.351 42.416 42.059 0.010 0.000 1.180 348 L HN -0.036 nan 8.230 nan 0.000 0.454 349 E N 0.318 120.521 120.200 0.006 0.000 2.259 349 E HA 0.078 4.428 4.350 -0.000 0.000 0.281 349 E C 0.209 176.816 176.600 0.011 0.000 1.027 349 E CA -0.418 55.986 56.400 0.007 0.000 0.838 349 E CB 1.558 31.262 29.700 0.006 0.000 1.066 349 E HN 0.642 nan 8.360 nan 0.000 0.401 350 Q N 5.206 125.013 119.800 0.012 0.000 2.047 350 Q HA -0.199 4.141 4.340 -0.000 0.000 0.211 350 Q C -0.818 175.191 176.000 0.015 0.000 1.005 350 Q CA 2.626 58.438 55.803 0.015 0.000 0.866 350 Q CB -0.999 27.748 28.738 0.015 0.000 0.938 350 Q HN 0.430 nan 8.270 nan 0.000 0.414 351 P HA -0.165 nan 4.420 nan 0.000 0.220 351 P C 0.721 178.029 177.300 0.013 0.000 1.148 351 P CA 1.576 64.683 63.100 0.012 0.000 0.803 351 P CB -0.004 31.702 31.700 0.010 0.000 0.782 352 E N -0.058 120.149 120.200 0.012 0.000 2.028 352 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 352 E C 1.960 178.568 176.600 0.015 0.000 0.984 352 E CA 0.727 57.134 56.400 0.012 0.000 0.800 352 E CB -0.331 29.375 29.700 0.010 0.000 0.758 352 E HN -0.049 nan 8.360 nan 0.000 0.448 353 V N 1.056 120.980 119.914 0.017 0.000 3.078 353 V HA -0.110 4.010 4.120 -0.000 0.000 0.265 353 V C 1.619 177.727 176.094 0.024 0.000 1.122 353 V CA 1.480 63.793 62.300 0.021 0.000 1.141 353 V CB -0.195 31.642 31.823 0.024 0.000 0.735 353 V HN 0.228 nan 8.190 nan 0.000 0.498 354 E N 0.043 120.256 120.200 0.021 0.000 2.216 354 E HA 0.104 4.454 4.350 -0.000 0.000 0.192 354 E C 2.247 178.860 176.600 0.021 0.000 0.973 354 E CA 1.052 57.465 56.400 0.023 0.000 0.851 354 E CB 0.047 29.759 29.700 0.020 0.000 0.804 354 E HN 0.667 nan 8.360 nan 0.000 0.477 355 A N 0.845 123.676 122.820 0.018 0.000 1.933 355 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 355 A C 2.380 179.975 177.584 0.019 0.000 1.175 355 A CA 1.915 53.962 52.037 0.016 0.000 0.628 355 A CB -0.735 18.273 19.000 0.012 0.000 0.814 355 A HN 0.173 nan 8.150 nan 0.000 0.444 356 T N -0.266 114.301 114.554 0.022 0.000 2.668 356 T HA -0.145 4.205 4.350 -0.000 0.000 0.262 356 T C 2.005 176.729 174.700 0.039 0.000 1.045 356 T CA 1.563 63.680 62.100 0.028 0.000 1.152 356 T CB -0.251 68.633 68.868 0.027 0.000 0.864 356 T HN 0.614 nan 8.240 nan 0.000 0.419 357 K N 0.625 121.048 120.400 0.039 0.000 2.089 357 K HA -0.297 4.023 4.320 -0.000 0.000 0.210 357 K C 2.384 179.012 176.600 0.047 0.000 1.048 357 K CA 1.782 58.097 56.287 0.047 0.000 0.926 357 K CB -0.149 32.375 32.500 0.040 0.000 0.714 357 K HN 0.167 nan 8.250 nan 0.000 0.448 358 Q N 0.344 120.165 119.800 0.034 0.000 1.921 358 Q HA -0.132 4.208 4.340 -0.000 0.000 0.208 358 Q C 1.983 177.996 176.000 0.022 0.000 0.994 358 Q CA 2.541 58.360 55.803 0.026 0.000 0.857 358 Q CB -0.694 28.055 28.738 0.018 0.000 0.925 358 Q HN 0.429 nan 8.270 nan 0.000 0.421 359 A N 0.191 123.021 122.820 0.017 0.000 1.948 359 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 359 A C 2.190 179.778 177.584 0.006 0.000 1.177 359 A CA 1.750 53.791 52.037 0.005 0.000 0.636 359 A CB -1.047 17.958 19.000 0.008 0.000 0.815 359 A HN 0.492 nan 8.150 nan 0.000 0.449 360 L N -0.507 120.749 121.223 0.055 0.000 2.081 360 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 360 L C 2.801 179.719 176.870 0.080 0.000 1.080 360 L CA 1.841 56.760 54.840 0.131 0.000 0.754 360 L CB -1.022 41.158 42.059 0.201 0.000 0.893 360 L HN 0.466 nan 8.230 nan 0.000 0.433 361 T N -1.491 113.096 114.554 0.054 0.000 2.708 361 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 361 T C 2.059 176.724 174.700 -0.059 0.000 1.037 361 T CA 1.585 63.703 62.100 0.030 0.000 1.146 361 T CB -0.313 68.573 68.868 0.030 0.000 0.865 361 T HN 0.259 nan 8.240 nan 0.000 0.435 362 S N 0.762 116.421 115.700 -0.068 0.000 2.420 362 S HA -0.136 4.334 4.470 -0.000 0.000 0.237 362 S C 1.998 176.484 174.600 -0.190 0.000 1.023 362 S CA 0.871 59.014 58.200 -0.096 0.000 0.991 362 S CB -0.739 62.420 63.200 -0.068 0.000 0.792 362 S HN 0.593 nan 8.310 nan 0.000 0.488 363 C N 1.467 120.571 119.300 -0.327 0.000 2.536 363 C HA 0.373 4.833 4.460 -0.000 0.000 0.285 363 C C 1.868 176.386 174.990 -0.788 0.000 1.371 363 C CA -0.136 58.507 59.018 -0.625 0.000 1.675 363 C CB -1.853 25.300 27.740 -0.977 0.000 1.689 363 C HN 0.760 nan 8.230 nan 0.000 0.589 364 G N 0.356 108.923 108.800 -0.388 0.000 2.198 364 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 364 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 364 G C -0.066 174.831 174.900 -0.004 0.000 1.042 364 G CA -0.277 44.716 45.100 -0.179 0.000 0.791 364 G HN 0.581 nan 8.290 nan 0.000 0.502 365 F N -0.673 119.280 119.950 0.004 0.000 2.457 365 F HA 0.547 5.074 4.527 -0.000 0.000 0.330 365 F C 0.262 176.062 175.800 0.000 0.000 1.069 365 F CA -1.265 56.735 58.000 0.000 0.000 1.009 365 F CB 1.464 40.465 39.000 0.002 0.000 1.276 365 F HN -0.126 nan 8.300 nan 0.000 0.492 366 D N 1.238 121.765 120.400 0.212 0.000 2.441 366 D HA 0.224 4.864 4.640 -0.000 0.000 0.231 366 D C -1.399 174.943 176.300 0.070 0.000 1.073 366 D CA 0.025 54.085 54.000 0.101 0.000 0.850 366 D CB 1.394 42.225 40.800 0.052 0.000 1.062 366 D HN 0.371 nan 8.370 nan 0.000 0.524 367 C N 5.151 124.497 119.300 0.077 0.000 2.319 367 C HA 0.701 5.161 4.460 -0.000 0.000 0.323 367 C C -0.931 174.084 174.990 0.041 0.000 1.277 367 C CA -0.539 58.513 59.018 0.056 0.000 1.517 367 C CB -0.964 26.823 27.740 0.078 0.000 2.206 367 C HN 0.521 nan 8.230 nan 0.000 0.486 368 L N 4.923 126.162 121.223 0.027 0.000 2.386 368 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 368 L C -0.105 176.780 176.870 0.026 0.000 0.993 368 L CA -0.252 54.604 54.840 0.028 0.000 0.819 368 L CB 1.729 43.800 42.059 0.019 0.000 1.294 368 L HN 0.641 nan 8.230 nan 0.000 0.414 369 E N 1.991 122.211 120.200 0.033 0.000 1.963 369 E HA 0.223 4.573 4.350 -0.000 0.000 0.274 369 E C -0.479 176.142 176.600 0.036 0.000 1.061 369 E CA -0.108 56.313 56.400 0.034 0.000 0.847 369 E CB 1.029 30.752 29.700 0.038 0.000 1.083 369 E HN 0.636 nan 8.360 nan 0.000 0.402 370 T N 1.995 116.567 114.554 0.030 0.000 2.765 370 T HA 0.574 4.924 4.350 -0.000 0.000 0.251 370 T C -0.392 174.328 174.700 0.034 0.000 1.027 370 T CA 0.103 62.222 62.100 0.031 0.000 1.030 370 T CB 0.922 69.800 68.868 0.017 0.000 1.935 370 T HN 0.487 nan 8.240 nan 0.000 0.563 371 S N -0.640 115.078 115.700 0.030 0.000 2.638 371 S HA 0.773 5.243 4.470 -0.000 0.000 0.274 371 S C -1.598 173.015 174.600 0.022 0.000 1.157 371 S CA -0.776 57.444 58.200 0.033 0.000 0.826 371 S CB 1.336 64.563 63.200 0.045 0.000 1.139 371 S HN 0.623 nan 8.310 nan 0.000 0.474 372 I N 0.372 120.954 120.570 0.021 0.000 2.647 372 I HA 0.733 4.903 4.170 -0.000 0.000 0.295 372 I C 0.738 176.864 176.117 0.016 0.000 1.078 372 I CA 0.764 62.069 61.300 0.009 0.000 1.048 372 I CB 1.746 39.742 38.000 -0.006 0.000 1.239 372 I HN 1.396 nan 8.210 nan 0.000 0.421 373 G N 4.301 113.111 108.800 0.017 0.000 2.141 373 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.231 373 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.231 373 G C 0.506 175.430 174.900 0.040 0.000 0.984 373 G CA 0.054 45.170 45.100 0.026 0.000 0.660 373 G HN 1.120 nan 8.290 nan 0.000 0.525 374 A N 0.511 123.355 122.820 0.040 0.000 2.532 374 A HA 0.506 4.826 4.320 -0.000 0.000 0.248 374 A C 0.167 177.789 177.584 0.062 0.000 1.118 374 A CA 0.825 52.892 52.037 0.050 0.000 0.805 374 A CB -0.022 19.004 19.000 0.044 0.000 1.068 374 A HN 0.221 nan 8.150 nan 0.000 0.518 375 P HA 0.132 nan 4.420 nan 0.000 0.202 375 P C 0.942 178.298 177.300 0.093 0.000 1.149 375 P CA 2.074 65.224 63.100 0.083 0.000 0.931 375 P CB -0.095 31.656 31.700 0.086 0.000 0.762 376 G N -2.949 105.903 108.800 0.087 0.000 2.339 376 G HA2 0.036 3.996 3.960 -0.000 0.000 0.275 376 G HA3 0.036 3.996 3.960 -0.000 0.000 0.275 376 G C -1.212 173.735 174.900 0.079 0.000 1.323 376 G CA -0.413 44.729 45.100 0.070 0.000 0.927 376 G HN 0.261 nan 8.290 nan 0.000 0.486 377 V N 0.894 120.827 119.914 0.033 0.000 2.644 377 V HA 0.466 4.586 4.120 -0.000 0.000 0.305 377 V C 0.220 176.490 176.094 0.293 0.000 1.053 377 V CA 1.575 63.911 62.300 0.061 0.000 1.186 377 V CB 0.501 32.242 31.823 -0.137 0.000 0.895 377 V HN 1.359 nan 8.190 nan 0.000 0.490 378 S N 5.606 121.568 115.700 0.437 0.000 2.588 378 S HA 0.563 5.033 4.470 -0.000 0.000 0.269 378 S C -0.845 174.091 174.600 0.560 0.000 1.157 378 S CA -0.530 57.982 58.200 0.520 0.000 0.824 378 S CB 1.721 65.058 63.200 0.229 0.000 1.126 378 S HN 0.850 nan 8.310 nan 0.000 0.464 379 I N 1.315 122.033 120.570 0.247 0.000 2.603 379 I HA 0.639 4.809 4.170 -0.000 0.000 0.300 379 I C -0.841 175.361 176.117 0.141 0.000 1.017 379 I CA -0.269 61.195 61.300 0.273 0.000 1.098 379 I CB 1.290 39.296 38.000 0.010 0.000 1.279 379 I HN 0.734 nan 8.210 nan 0.000 0.437 380 H N 3.129 122.256 119.070 0.094 0.000 3.424 380 H HA 0.536 5.092 4.556 -0.000 0.000 0.249 380 H C -0.129 175.220 175.328 0.035 0.000 1.664 380 H CA -0.779 55.312 56.048 0.071 0.000 1.629 380 H CB 1.043 30.872 29.762 0.112 0.000 1.444 380 H HN 0.432 nan 8.280 nan 0.000 0.927 381 S N -0.483 115.319 115.700 0.170 0.000 2.937 381 S HA 0.397 4.867 4.470 -0.000 0.000 0.252 381 S C 0.693 175.329 174.600 0.061 0.000 1.022 381 S CA 0.181 58.428 58.200 0.079 0.000 1.079 381 S CB 0.590 63.811 63.200 0.036 0.000 1.035 381 S HN 0.825 nan 8.310 nan 0.000 0.594 382 A N 0.819 123.680 122.820 0.067 0.000 2.799 382 A HA -0.281 4.039 4.320 -0.000 0.000 0.274 382 A C 1.483 179.073 177.584 0.010 0.000 1.393 382 A CA 2.008 54.057 52.037 0.020 0.000 0.909 382 A CB -2.254 16.752 19.000 0.011 0.000 1.012 382 A HN 0.527 nan 8.150 nan 0.000 0.653 383 T N -2.528 112.043 114.554 0.027 0.000 3.010 383 T HA 0.207 4.557 4.350 -0.000 0.000 0.253 383 T C 1.714 176.432 174.700 0.030 0.000 0.939 383 T CA 1.547 63.658 62.100 0.017 0.000 0.910 383 T CB -0.325 68.552 68.868 0.015 0.000 1.226 383 T HN 1.297 nan 8.240 nan 0.000 0.508 384 S N 2.037 117.773 115.700 0.061 0.000 2.501 384 S HA 0.231 4.701 4.470 -0.000 0.000 0.220 384 S C 0.716 175.382 174.600 0.111 0.000 0.997 384 S CA -0.329 57.925 58.200 0.089 0.000 0.919 384 S CB -0.918 62.350 63.200 0.115 0.000 0.778 384 S HN 0.492 nan 8.310 nan 0.000 0.523 385 L N 1.359 122.624 121.223 0.071 0.000 2.558 385 L HA 0.271 4.611 4.340 -0.000 0.000 0.301 385 L C 1.084 177.941 176.870 -0.021 0.000 1.267 385 L CA 0.227 55.058 54.840 -0.014 0.000 0.854 385 L CB -0.360 41.643 42.059 -0.093 0.000 1.103 385 L HN -0.061 nan 8.230 nan 0.000 0.522 386 D N 0.195 120.560 120.400 -0.059 0.000 2.392 386 D HA -0.032 4.608 4.640 -0.000 0.000 0.228 386 D C 1.065 177.329 176.300 -0.059 0.000 1.003 386 D CA 1.099 55.086 54.000 -0.021 0.000 0.917 386 D CB -0.020 40.785 40.800 0.008 0.000 0.890 386 D HN 1.005 nan 8.370 nan 0.000 0.532 387 S N -0.820 114.819 115.700 -0.100 0.000 3.007 387 S HA -0.406 4.064 4.470 -0.000 0.000 0.633 387 S C 0.840 175.370 174.600 -0.116 0.000 3.004 387 S CA 1.190 59.327 58.200 -0.104 0.000 3.245 387 S CB -0.505 62.658 63.200 -0.060 0.000 0.331 387 S HN 0.674 nan 8.310 nan 0.000 1.768 388 R N -1.437 119.005 120.500 -0.097 0.000 3.682 388 R HA -0.281 4.059 4.340 -0.000 0.000 0.519 388 R C 1.457 177.673 176.300 -0.140 0.000 0.241 388 R CA 2.405 58.450 56.100 -0.092 0.000 1.619 388 R CB -1.791 28.473 30.300 -0.060 0.000 0.923 388 R HN 1.297 nan 8.270 nan 0.000 0.598 389 V N 2.315 122.153 119.914 -0.126 0.000 2.909 389 V HA -0.265 3.855 4.120 -0.000 0.000 0.265 389 V C 2.354 178.244 176.094 -0.340 0.000 1.128 389 V CA 2.324 64.518 62.300 -0.177 0.000 1.149 389 V CB -0.716 31.057 31.823 -0.084 0.000 0.725 389 V HN 0.420 nan 8.190 nan 0.000 0.511 390 Q N 1.114 120.725 119.800 -0.315 0.000 1.755 390 Q HA -0.195 4.145 4.340 -0.000 0.000 0.320 390 Q C 2.447 178.112 176.000 -0.559 0.000 0.959 390 Q CA 2.178 57.699 55.803 -0.469 0.000 0.889 390 Q CB -0.517 28.024 28.738 -0.328 0.000 0.920 390 Q HN 0.828 nan 8.270 nan 0.000 0.421 391 Q N -0.123 119.444 119.800 -0.388 0.000 2.248 391 Q HA -0.110 4.230 4.340 -0.000 0.000 0.208 391 Q C 1.754 177.574 176.000 -0.299 0.000 0.984 391 Q CA 1.587 57.200 55.803 -0.316 0.000 0.875 391 Q CB -0.586 28.030 28.738 -0.204 0.000 0.910 391 Q HN 0.407 nan 8.270 nan 0.000 0.433 392 A N 1.269 123.909 122.820 -0.301 0.000 2.084 392 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 392 A C 2.012 179.413 177.584 -0.305 0.000 1.161 392 A CA 1.145 53.028 52.037 -0.257 0.000 0.653 392 A CB -0.331 18.530 19.000 -0.230 0.000 0.802 392 A HN 0.404 nan 8.150 nan 0.000 0.457 393 L N -0.916 120.023 121.223 -0.473 0.000 2.446 393 L HA 0.007 4.347 4.340 -0.000 0.000 0.219 393 L C 0.784 177.472 176.870 -0.302 0.000 1.116 393 L CA 1.333 55.866 54.840 -0.513 0.000 0.844 393 L CB -0.917 40.455 42.059 -1.144 0.000 0.970 393 L HN 0.333 nan 8.230 nan 0.000 0.457 394 D N -0.358 119.890 120.400 -0.252 0.000 2.349 394 D HA 0.171 4.811 4.640 -0.000 0.000 0.215 394 D C 1.079 177.320 176.300 -0.098 0.000 1.016 394 D CA 0.393 54.316 54.000 -0.129 0.000 0.870 394 D CB 0.685 41.419 40.800 -0.109 0.000 0.917 394 D HN 0.273 nan 8.370 nan 0.000 0.524 395 G N 0.000 108.729 108.800 -0.118 0.000 5.446 395 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 395 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 395 G CA 0.000 45.049 45.100 -0.084 0.000 0.502 395 G HN 0.000 nan 8.290 nan 0.000 0.925