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 1wiq_1_A DATA FIRST_RESID 1 DATA SEQUENCE KKVVLGKKGD TVELTCTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYICEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQC RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTCT VLQNQKKVEF KIDIVVLAFQ KASSIVYKKE GEQVEFSFPL DATA SEQUENCE AFTVEKLTGS GELWWQAERA SSSKSWITFD LKNKEVSVKR VTQDPKLQMG DATA SEQUENCE KKLPLHLTLP QALPQYAGSG NLTLALEAKT GKLHQEVNLV VMRATQLQKN DATA SEQUENCE LTCEVWGPTS PKLMLSLKLE NKEAKVSKRE KAVWVLNPEA GMWQCLLSDS DATA SEQUENCE GQVLLESNIK VLP 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.639 176.600 0.066 0.000 0.988 1 K CA 0.000 56.322 56.287 0.059 0.000 0.838 1 K CB 0.000 32.541 32.500 0.069 0.000 1.064 2 K N 2.713 123.161 120.400 0.080 0.000 2.351 2 K HA 0.197 4.517 4.320 0.000 0.000 0.287 2 K C -0.175 176.476 176.600 0.084 0.000 1.068 2 K CA -0.046 56.290 56.287 0.082 0.000 0.998 2 K CB -0.062 32.500 32.500 0.104 0.000 0.968 2 K HN 0.192 nan 8.250 nan 0.000 0.464 3 V N 2.600 122.556 119.914 0.070 0.000 2.284 3 V HA 0.220 4.340 4.120 0.000 0.000 0.274 3 V C -0.074 176.058 176.094 0.064 0.000 1.023 3 V CA -1.087 61.256 62.300 0.072 0.000 0.808 3 V CB 0.756 32.622 31.823 0.073 0.000 1.035 3 V HN 0.387 nan 8.190 nan 0.000 0.445 4 V N 5.640 125.587 119.914 0.055 0.000 2.547 4 V HA 0.569 4.689 4.120 0.000 0.000 0.299 4 V C 0.104 176.229 176.094 0.052 0.000 1.040 4 V CA -0.613 61.711 62.300 0.039 0.000 0.913 4 V CB 1.871 33.700 31.823 0.009 0.000 0.992 4 V HN 0.682 nan 8.190 nan 0.000 0.449 5 L N 2.711 123.975 121.223 0.068 0.000 2.358 5 L HA 0.998 5.338 4.340 0.000 0.000 0.268 5 L C 0.610 177.519 176.870 0.064 0.000 1.032 5 L CA -0.356 54.556 54.840 0.121 0.000 0.805 5 L CB 1.612 43.793 42.059 0.202 0.000 1.253 5 L HN 0.817 nan 8.230 nan 0.000 0.452 6 G N 0.100 108.953 108.800 0.088 0.000 2.682 6 G HA2 0.577 4.537 3.960 0.000 0.000 0.290 6 G HA3 0.577 4.537 3.960 0.000 0.000 0.290 6 G C -1.787 173.170 174.900 0.096 0.000 1.425 6 G CA -0.685 44.440 45.100 0.041 0.000 0.807 6 G HN 0.451 nan 8.290 nan 0.000 0.482 7 K N 0.367 120.813 120.400 0.077 0.000 2.203 7 K HA 0.404 4.724 4.320 0.000 0.000 0.251 7 K C -0.226 176.458 176.600 0.140 0.000 0.944 7 K CA -0.901 55.493 56.287 0.178 0.000 0.829 7 K CB 2.752 35.338 32.500 0.142 0.000 1.125 7 K HN 0.486 nan 8.250 nan 0.000 0.430 8 K N 0.793 121.294 120.400 0.167 0.000 2.484 8 K HA -0.048 4.272 4.320 0.000 0.000 0.280 8 K C 0.754 177.395 176.600 0.068 0.000 1.013 8 K CA 1.305 57.644 56.287 0.087 0.000 1.029 8 K CB 0.034 32.574 32.500 0.067 0.000 0.902 8 K HN 0.798 nan 8.250 nan 0.000 0.481 9 G N 3.043 111.865 108.800 0.038 0.000 2.257 9 G HA2 -0.327 3.633 3.960 0.000 0.000 0.267 9 G HA3 -0.327 3.633 3.960 0.000 0.000 0.267 9 G C 0.434 175.349 174.900 0.025 0.000 0.984 9 G CA 0.671 45.787 45.100 0.026 0.000 0.626 9 G HN 0.806 nan 8.290 nan 0.000 0.540 10 D N 0.396 120.817 120.400 0.035 0.000 2.158 10 D HA 0.564 5.204 4.640 0.000 0.000 0.275 10 D C 1.326 177.626 176.300 0.001 0.000 1.170 10 D CA 1.411 55.425 54.000 0.022 0.000 1.007 10 D CB 0.427 41.245 40.800 0.030 0.000 1.144 10 D HN 0.796 nan 8.370 nan 0.000 0.509 11 T N -2.935 111.611 114.554 -0.013 0.000 2.762 11 T HA 0.614 4.964 4.350 0.000 0.000 0.301 11 T C -0.972 173.702 174.700 -0.044 0.000 1.299 11 T CA -0.431 61.650 62.100 -0.031 0.000 1.005 11 T CB 0.783 69.632 68.868 -0.031 0.000 1.377 11 T HN 0.478 nan 8.240 nan 0.000 0.504 12 V N -1.771 118.103 119.914 -0.067 0.000 3.204 12 V HA 0.810 4.930 4.120 0.000 0.000 0.298 12 V C -1.317 174.718 176.094 -0.098 0.000 1.328 12 V CA -1.030 61.223 62.300 -0.077 0.000 1.035 12 V CB 1.671 33.438 31.823 -0.093 0.000 1.095 12 V HN 1.275 nan 8.190 nan 0.000 0.442 13 E N 1.711 121.863 120.200 -0.080 0.000 2.185 13 E HA 0.596 4.946 4.350 0.000 0.000 0.261 13 E C -1.887 174.675 176.600 -0.063 0.000 0.879 13 E CA -0.875 55.481 56.400 -0.073 0.000 0.756 13 E CB 1.837 31.517 29.700 -0.033 0.000 1.152 13 E HN 0.679 nan 8.360 nan 0.000 0.416 14 L N 4.349 125.509 121.223 -0.104 0.000 2.265 14 L HA 0.251 4.591 4.340 0.000 0.000 0.288 14 L C 0.283 177.270 176.870 0.194 0.000 1.058 14 L CA -0.008 54.810 54.840 -0.037 0.000 0.809 14 L CB 1.203 43.052 42.059 -0.350 0.000 1.179 14 L HN 0.579 nan 8.230 nan 0.000 0.429 15 T N -0.344 114.329 114.554 0.198 0.000 2.828 15 T HA 0.498 4.848 4.350 0.000 0.000 0.290 15 T C -0.056 174.805 174.700 0.267 0.000 1.019 15 T CA -0.711 61.506 62.100 0.195 0.000 1.031 15 T CB 1.292 70.219 68.868 0.099 0.000 1.001 15 T HN 0.794 nan 8.240 nan 0.000 0.531 16 C N 2.062 121.446 119.300 0.140 0.000 3.224 16 C HA 0.555 5.015 4.460 0.000 0.000 0.433 16 C C -0.378 174.608 174.990 -0.008 0.000 0.960 16 C CA -0.188 58.856 59.018 0.044 0.000 1.253 16 C CB -0.239 27.468 27.740 -0.055 0.000 1.640 16 C HN 1.226 nan 8.230 nan 0.000 0.591 17 T N 2.851 117.398 114.554 -0.011 0.000 2.587 17 T HA 1.052 5.402 4.350 0.000 0.000 0.282 17 T C -0.168 174.547 174.700 0.025 0.000 1.018 17 T CA 0.054 62.124 62.100 -0.049 0.000 1.120 17 T CB 1.284 70.100 68.868 -0.086 0.000 1.538 17 T HN 2.340 nan 8.240 nan 0.000 0.480 18 A N -0.129 122.699 122.820 0.013 0.000 2.402 18 A HA 0.698 5.018 4.320 0.000 0.000 0.295 18 A C -0.065 177.527 177.584 0.013 0.000 1.001 18 A CA -0.484 51.568 52.037 0.024 0.000 0.592 18 A CB 0.056 19.089 19.000 0.055 0.000 1.404 18 A HN 0.593 nan 8.150 nan 0.000 0.493 19 S N -0.474 115.232 115.700 0.010 0.000 2.423 19 S HA 0.334 4.804 4.470 0.000 0.000 0.244 19 S C 1.411 176.020 174.600 0.015 0.000 1.267 19 S CA 1.043 59.245 58.200 0.004 0.000 0.988 19 S CB -0.090 63.111 63.200 0.001 0.000 0.978 19 S HN 1.879 nan 8.310 nan 0.000 0.506 20 Q N 0.565 120.372 119.800 0.011 0.000 2.097 20 Q HA -0.430 3.910 4.340 0.000 0.000 0.148 20 Q C 0.651 176.666 176.000 0.025 0.000 1.026 20 Q CA 2.503 58.317 55.803 0.019 0.000 1.406 20 Q CB -2.053 26.699 28.738 0.023 0.000 1.450 20 Q HN 0.844 nan 8.270 nan 0.000 0.882 21 K N 1.701 122.113 120.400 0.020 0.000 3.186 21 K HA -0.264 4.056 4.320 0.000 0.000 0.302 21 K C 0.293 176.901 176.600 0.012 0.000 1.160 21 K CA 2.278 58.561 56.287 -0.008 0.000 0.911 21 K CB -0.579 31.907 32.500 -0.024 0.000 1.228 21 K HN 0.797 nan 8.250 nan 0.000 0.430 22 K N 0.136 120.573 120.400 0.060 0.000 2.098 22 K HA 0.188 4.508 4.320 0.000 0.000 0.257 22 K C -0.283 176.412 176.600 0.159 0.000 0.999 22 K CA -0.356 55.977 56.287 0.077 0.000 0.924 22 K CB 1.329 33.861 32.500 0.054 0.000 1.028 22 K HN -0.064 nan 8.250 nan 0.000 0.466 23 S N 1.890 117.681 115.700 0.152 0.000 2.611 23 S HA 0.104 4.574 4.470 0.000 0.000 0.317 23 S C 0.303 174.978 174.600 0.126 0.000 1.208 23 S CA -0.462 57.866 58.200 0.213 0.000 1.217 23 S CB -1.284 62.023 63.200 0.179 0.000 1.085 23 S HN 0.511 nan 8.310 nan 0.000 0.529 24 I N 1.090 121.733 120.570 0.121 0.000 3.206 24 I HA 0.560 4.730 4.170 0.000 0.000 0.313 24 I C 0.071 175.977 176.117 -0.352 0.000 1.103 24 I CA -1.388 59.845 61.300 -0.113 0.000 0.985 24 I CB 1.022 38.964 38.000 -0.097 0.000 1.240 24 I HN 0.190 nan 8.210 nan 0.000 0.464 25 Q N 1.489 121.077 119.800 -0.354 0.000 2.421 25 Q HA 0.346 4.686 4.340 0.000 0.000 0.255 25 Q C -1.334 174.305 176.000 -0.600 0.000 1.013 25 Q CA 0.486 56.013 55.803 -0.461 0.000 0.895 25 Q CB 1.194 29.716 28.738 -0.361 0.000 1.271 25 Q HN 0.590 nan 8.270 nan 0.000 0.460 26 F N -1.053 118.437 119.950 -0.766 0.000 2.744 26 F HA 0.511 5.038 4.527 0.000 0.000 0.311 26 F C -1.508 173.979 175.800 -0.521 0.000 1.144 26 F CA -1.039 56.463 58.000 -0.831 0.000 0.938 26 F CB 1.182 39.539 39.000 -1.072 0.000 1.292 26 F HN 0.619 nan 8.300 nan 0.000 0.444 27 H N -1.139 117.779 119.070 -0.253 0.000 3.137 27 H HA 0.246 4.802 4.556 0.000 0.000 0.336 27 H C -2.532 172.799 175.328 0.004 0.000 1.055 27 H CA -1.202 54.741 56.048 -0.174 0.000 1.349 27 H CB 0.683 30.334 29.762 -0.185 0.000 1.939 27 H HN 0.867 nan 8.280 nan 0.000 0.487 28 W N 4.400 125.877 121.300 0.296 0.000 2.335 28 W HA 0.323 4.983 4.660 0.000 0.000 0.306 28 W C -0.196 176.438 176.519 0.191 0.000 1.216 28 W CA -0.409 57.097 57.345 0.270 0.000 1.237 28 W CB 1.377 31.013 29.460 0.292 0.000 1.243 28 W HN 0.548 nan 8.180 nan 0.000 0.493 29 K N 2.654 123.321 120.400 0.444 0.000 2.422 29 K HA 0.474 4.794 4.320 0.000 0.000 0.251 29 K C -0.369 176.343 176.600 0.186 0.000 0.933 29 K CA -1.171 55.255 56.287 0.231 0.000 0.798 29 K CB 1.353 33.907 32.500 0.090 0.000 1.238 29 K HN 0.374 nan 8.250 nan 0.000 0.428 30 N N 0.261 118.971 118.700 0.018 0.000 2.379 30 N HA -0.046 4.694 4.740 0.000 0.000 0.260 30 N C 0.709 176.165 175.510 -0.090 0.000 1.254 30 N CA -0.162 52.777 53.050 -0.185 0.000 0.958 30 N CB 0.572 38.811 38.487 -0.413 0.000 1.208 30 N HN 0.737 nan 8.380 nan 0.000 0.532 31 S N -0.908 114.722 115.700 -0.116 0.000 2.488 31 S HA -0.201 4.269 4.470 0.000 0.000 0.246 31 S C 0.498 175.070 174.600 -0.047 0.000 0.992 31 S CA 1.062 59.230 58.200 -0.052 0.000 0.963 31 S CB -1.051 62.120 63.200 -0.049 0.000 0.754 31 S HN 0.704 nan 8.310 nan 0.000 0.519 32 N N 1.350 120.010 118.700 -0.066 0.000 2.314 32 N HA 0.126 4.866 4.740 0.000 0.000 0.200 32 N C -0.385 175.103 175.510 -0.037 0.000 1.135 32 N CA 0.070 53.091 53.050 -0.049 0.000 0.835 32 N CB 0.057 38.510 38.487 -0.056 0.000 0.989 32 N HN 0.107 nan 8.380 nan 0.000 0.478 33 Q N -0.518 119.264 119.800 -0.030 0.000 2.461 33 Q HA -0.207 4.133 4.340 0.000 0.000 0.264 33 Q C -0.513 175.467 176.000 -0.033 0.000 1.085 33 Q CA 0.977 56.764 55.803 -0.027 0.000 1.006 33 Q CB -2.161 26.559 28.738 -0.029 0.000 1.437 33 Q HN 0.582 nan 8.270 nan 0.000 0.514 34 I N 0.876 121.432 120.570 -0.025 0.000 2.385 34 I HA 0.167 4.337 4.170 0.000 0.000 0.294 34 I C 0.720 176.845 176.117 0.014 0.000 0.988 34 I CA -0.542 60.749 61.300 -0.016 0.000 1.265 34 I CB 1.091 39.081 38.000 -0.016 0.000 1.388 34 I HN -0.193 nan 8.210 nan 0.000 0.480 35 K N 6.504 126.911 120.400 0.011 0.000 2.292 35 K HA 0.271 4.591 4.320 0.000 0.000 0.290 35 K C 0.753 177.416 176.600 0.104 0.000 1.083 35 K CA -0.312 56.004 56.287 0.049 0.000 0.918 35 K CB 1.038 33.528 32.500 -0.016 0.000 1.089 35 K HN 0.528 nan 8.250 nan 0.000 0.473 36 I N 2.545 123.226 120.570 0.185 0.000 2.090 36 I HA -0.211 3.959 4.170 0.000 0.000 0.236 36 I C 0.945 177.174 176.117 0.187 0.000 1.064 36 I CA 1.547 62.963 61.300 0.193 0.000 1.324 36 I CB -0.712 37.445 38.000 0.261 0.000 1.044 36 I HN 0.511 nan 8.210 nan 0.000 0.399 37 L N -2.262 119.119 121.223 0.263 0.000 2.518 37 L HA 0.898 5.238 4.340 0.000 0.000 0.257 37 L C -0.729 176.273 176.870 0.219 0.000 0.980 37 L CA -0.381 54.605 54.840 0.243 0.000 0.837 37 L CB 1.545 43.782 42.059 0.297 0.000 1.410 37 L HN 0.062 nan 8.230 nan 0.000 0.410 38 G N 0.399 109.244 108.800 0.075 0.000 2.827 38 G HA2 0.697 4.657 3.960 0.000 0.000 0.296 38 G HA3 0.697 4.657 3.960 0.000 0.000 0.296 38 G C -1.739 172.985 174.900 -0.293 0.000 1.362 38 G CA -0.331 44.632 45.100 -0.229 0.000 0.809 38 G HN 1.083 nan 8.290 nan 0.000 0.522 39 N N -3.029 115.336 118.700 -0.557 0.000 2.629 39 N HA 0.707 5.447 4.740 0.000 0.000 0.279 39 N C -0.749 174.620 175.510 -0.235 0.000 1.344 39 N CA -0.199 52.631 53.050 -0.366 0.000 0.789 39 N CB 1.493 39.525 38.487 -0.758 0.000 1.508 39 N HN 1.245 nan 8.380 nan 0.000 0.516 40 Q N -0.744 118.981 119.800 -0.126 0.000 4.170 40 Q HA 0.571 4.911 4.340 0.000 0.000 0.163 40 Q C 0.519 176.388 176.000 -0.218 0.000 0.857 40 Q CA 0.049 55.761 55.803 -0.151 0.000 0.779 40 Q CB -0.738 27.946 28.738 -0.089 0.000 1.531 40 Q HN 1.843 nan 8.270 nan 0.000 0.448 41 G N 0.454 109.154 108.800 -0.167 0.000 2.525 41 G HA2 -0.117 3.843 3.960 0.000 0.000 0.248 41 G HA3 -0.117 3.843 3.960 0.000 0.000 0.248 41 G C 1.533 176.530 174.900 0.162 0.000 1.238 41 G CA 1.017 46.041 45.100 -0.127 0.000 0.926 41 G HN 2.019 nan 8.290 nan 0.000 0.574 42 S N -0.366 115.485 115.700 0.252 0.000 2.447 42 S HA 0.149 4.619 4.470 0.000 0.000 0.233 42 S C 1.088 176.110 174.600 0.705 0.000 1.006 42 S CA 1.461 59.985 58.200 0.541 0.000 0.957 42 S CB -0.141 63.332 63.200 0.455 0.000 0.773 42 S HN 0.893 nan 8.310 nan 0.000 0.507 43 F N 3.109 123.214 119.950 0.258 0.000 2.502 43 F HA 0.452 4.979 4.527 0.000 0.000 0.361 43 F C 0.263 176.244 175.800 0.300 0.000 1.157 43 F CA -2.380 55.743 58.000 0.205 0.000 1.096 43 F CB -0.991 38.083 39.000 0.123 0.000 1.141 43 F HN 0.126 nan 8.300 nan 0.000 0.579 44 L N 4.900 126.425 121.223 0.504 0.000 2.331 44 L HA 0.527 4.867 4.340 0.000 0.000 0.278 44 L C 0.318 177.376 176.870 0.313 0.000 1.106 44 L CA 0.173 55.333 54.840 0.534 0.000 0.824 44 L CB 0.852 43.136 42.059 0.376 0.000 1.142 44 L HN 0.703 nan 8.230 nan 0.000 0.443 45 T N 1.743 116.457 114.554 0.267 0.000 2.907 45 T HA 0.745 5.095 4.350 0.000 0.000 0.290 45 T C -0.413 174.381 174.700 0.157 0.000 1.066 45 T CA -0.869 61.332 62.100 0.168 0.000 1.012 45 T CB 2.021 70.958 68.868 0.114 0.000 1.184 45 T HN 0.704 nan 8.240 nan 0.000 0.522 46 K N -1.175 119.294 120.400 0.116 0.000 2.263 46 K HA 0.791 5.111 4.320 0.000 0.000 0.249 46 K C -0.150 176.497 176.600 0.079 0.000 1.076 46 K CA -0.584 55.770 56.287 0.111 0.000 0.884 46 K CB 1.843 34.401 32.500 0.098 0.000 1.394 46 K HN 1.006 nan 8.250 nan 0.000 0.476 47 G N -0.346 108.497 108.800 0.073 0.000 3.013 47 G HA2 0.374 4.334 3.960 0.000 0.000 0.278 47 G HA3 0.374 4.334 3.960 0.000 0.000 0.278 47 G C -2.159 172.764 174.900 0.038 0.000 1.353 47 G CA -1.177 43.952 45.100 0.049 0.000 1.043 47 G HN 0.472 nan 8.290 nan 0.000 0.523 48 P HA 0.004 nan 4.420 nan 0.000 0.229 48 P C 1.109 178.419 177.300 0.017 0.000 1.160 48 P CA 0.507 63.617 63.100 0.017 0.000 0.777 48 P CB -0.017 31.688 31.700 0.008 0.000 0.814 49 S N 0.510 116.223 115.700 0.021 0.000 2.553 49 S HA -0.044 4.426 4.470 0.000 0.000 0.293 49 S C 1.288 175.901 174.600 0.021 0.000 1.296 49 S CA -0.094 58.117 58.200 0.018 0.000 1.046 49 S CB 0.438 63.656 63.200 0.029 0.000 0.810 49 S HN 0.057 nan 8.310 nan 0.000 0.505 50 K N 0.499 120.907 120.400 0.014 0.000 2.218 50 K HA -0.123 4.197 4.320 0.000 0.000 0.205 50 K C 1.707 178.322 176.600 0.025 0.000 1.046 50 K CA 1.118 57.413 56.287 0.015 0.000 0.933 50 K CB -0.417 32.088 32.500 0.008 0.000 0.728 50 K HN 0.481 nan 8.250 nan 0.000 0.454 51 L N 1.838 123.084 121.223 0.039 0.000 2.201 51 L HA -0.161 4.179 4.340 0.000 0.000 0.212 51 L C 1.506 178.402 176.870 0.044 0.000 1.105 51 L CA 1.160 56.031 54.840 0.052 0.000 0.775 51 L CB -0.918 41.195 42.059 0.091 0.000 0.913 51 L HN 0.301 nan 8.230 nan 0.000 0.440 52 N N 1.021 119.748 118.700 0.045 0.000 0.937 52 N HA -0.341 4.399 4.740 0.000 0.000 0.158 52 N C 0.425 175.960 175.510 0.041 0.000 0.279 52 N CA 2.547 55.623 53.050 0.045 0.000 0.922 52 N CB -0.639 37.868 38.487 0.034 0.000 1.720 52 N HN 0.487 nan 8.380 nan 0.000 0.551 53 D N 0.282 120.701 120.400 0.031 0.000 2.489 53 D HA -0.023 4.617 4.640 0.000 0.000 0.264 53 D C 1.180 177.492 176.300 0.019 0.000 1.294 53 D CA 0.629 54.645 54.000 0.026 0.000 0.938 53 D CB -0.468 40.344 40.800 0.019 0.000 0.985 53 D HN 0.361 nan 8.370 nan 0.000 0.492 54 R N -0.910 119.601 120.500 0.019 0.000 2.541 54 R HA 0.406 4.746 4.340 0.000 0.000 0.332 54 R C -0.326 175.973 176.300 -0.000 0.000 0.951 54 R CA -0.134 55.970 56.100 0.007 0.000 1.136 54 R CB 0.939 31.242 30.300 0.005 0.000 1.449 54 R HN 0.205 nan 8.270 nan 0.000 0.531 55 A N 0.301 123.129 122.820 0.014 0.000 2.294 55 A HA 0.568 4.888 4.320 0.000 0.000 0.330 55 A C -0.995 176.611 177.584 0.036 0.000 1.133 55 A CA -0.359 51.682 52.037 0.008 0.000 0.836 55 A CB 1.214 20.232 19.000 0.029 0.000 1.190 55 A HN 0.190 nan 8.150 nan 0.000 0.492 56 D N -0.686 119.740 120.400 0.042 0.000 2.685 56 D HA 0.447 5.087 4.640 0.000 0.000 0.236 56 D C -1.589 174.782 176.300 0.118 0.000 1.233 56 D CA -0.059 53.986 54.000 0.075 0.000 0.760 56 D CB 2.108 42.922 40.800 0.024 0.000 1.410 56 D HN 0.507 nan 8.370 nan 0.000 0.439 57 S N 0.838 116.640 115.700 0.170 0.000 2.548 57 S HA 0.562 5.032 4.470 0.000 0.000 0.286 57 S C -0.908 173.659 174.600 -0.056 0.000 1.098 57 S CA -0.696 57.649 58.200 0.241 0.000 0.930 57 S CB 1.202 64.829 63.200 0.711 0.000 1.070 57 S HN 0.331 nan 8.310 nan 0.000 0.480 58 R N 3.212 123.645 120.500 -0.111 0.000 2.308 58 R HA 0.268 4.608 4.340 0.000 0.000 0.325 58 R C 1.145 177.041 176.300 -0.674 0.000 1.161 58 R CA -0.295 55.633 56.100 -0.286 0.000 1.022 58 R CB 0.367 30.590 30.300 -0.129 0.000 1.091 58 R HN 0.619 nan 8.270 nan 0.000 0.497 59 R N 0.705 120.611 120.500 -0.991 0.000 2.105 59 R HA -0.193 4.147 4.340 0.000 0.000 0.239 59 R C 2.171 178.279 176.300 -0.320 0.000 1.135 59 R CA 2.177 57.559 56.100 -1.197 0.000 0.967 59 R CB -0.127 29.661 30.300 -0.854 0.000 0.861 59 R HN 0.603 nan 8.270 nan 0.000 0.442 60 S N 1.305 116.881 115.700 -0.207 0.000 2.343 60 S HA -0.143 4.327 4.470 0.000 0.000 0.219 60 S C 1.984 176.576 174.600 -0.013 0.000 1.033 60 S CA 0.999 59.161 58.200 -0.063 0.000 1.014 60 S CB -0.651 62.511 63.200 -0.063 0.000 0.915 60 S HN 0.236 nan 8.310 nan 0.000 0.435 61 L N -0.536 120.659 121.223 -0.047 0.000 2.447 61 L HA -0.076 4.264 4.340 0.000 0.000 0.225 61 L C 2.450 179.338 176.870 0.031 0.000 1.148 61 L CA 0.676 55.501 54.840 -0.024 0.000 0.808 61 L CB -0.515 41.519 42.059 -0.042 0.000 0.928 61 L HN 0.405 nan 8.230 nan 0.000 0.448 62 W N 0.370 121.602 121.300 -0.115 0.000 2.355 62 W HA -0.210 4.450 4.660 0.000 0.000 0.309 62 W C 2.422 178.853 176.519 -0.148 0.000 1.206 62 W CA 0.627 57.885 57.345 -0.144 0.000 1.284 62 W CB -0.872 28.650 29.460 0.103 0.000 1.145 62 W HN 0.231 nan 8.180 nan 0.000 0.502 63 D N -0.352 120.168 120.400 0.201 0.000 2.158 63 D HA -0.186 4.454 4.640 0.000 0.000 0.197 63 D C 1.214 177.520 176.300 0.009 0.000 0.995 63 D CA 1.331 55.395 54.000 0.107 0.000 0.846 63 D CB -0.167 40.688 40.800 0.092 0.000 0.941 63 D HN 0.322 nan 8.370 nan 0.000 0.456 64 Q N -1.008 118.764 119.800 -0.046 0.000 2.253 64 Q HA 0.226 4.566 4.340 0.000 0.000 0.210 64 Q C 1.134 177.023 176.000 -0.185 0.000 0.907 64 Q CA 0.271 56.021 55.803 -0.087 0.000 0.948 64 Q CB 0.679 29.375 28.738 -0.069 0.000 1.033 64 Q HN 0.354 nan 8.270 nan 0.000 0.471 65 G N 0.726 109.332 108.800 -0.323 0.000 2.336 65 G HA2 -0.287 3.673 3.960 0.000 0.000 0.233 65 G HA3 -0.287 3.673 3.960 0.000 0.000 0.233 65 G C 0.060 174.312 174.900 -1.080 0.000 1.053 65 G CA -0.088 44.685 45.100 -0.544 0.000 0.625 65 G HN 0.451 nan 8.290 nan 0.000 0.511 66 N N 0.447 118.734 118.700 -0.689 0.000 2.513 66 N HA 0.538 5.278 4.740 0.000 0.000 0.268 66 N C -0.574 174.435 175.510 -0.835 0.000 1.180 66 N CA 0.363 53.054 53.050 -0.599 0.000 0.948 66 N CB 0.261 38.619 38.487 -0.216 0.000 1.083 66 N HN 0.175 nan 8.380 nan 0.000 0.455 67 F N 1.204 120.999 119.950 -0.259 0.000 2.564 67 F HA 0.324 4.851 4.527 0.000 0.000 0.329 67 F C -2.151 173.575 175.800 -0.123 0.000 1.458 67 F CA -2.130 55.447 58.000 -0.706 0.000 1.117 67 F CB 0.424 38.429 39.000 -1.659 0.000 1.383 67 F HN 0.286 nan 8.300 nan 0.000 0.571 68 P HA 0.105 nan 4.420 nan 0.000 0.272 68 P C -0.706 176.846 177.300 0.420 0.000 1.223 68 P CA -0.153 63.135 63.100 0.313 0.000 0.784 68 P CB 2.376 34.162 31.700 0.143 0.000 0.923 69 L N 3.905 125.265 121.223 0.228 0.000 2.319 69 L HA 0.499 4.839 4.340 0.000 0.000 0.281 69 L C -0.624 176.143 176.870 -0.173 0.000 1.005 69 L CA -0.620 54.129 54.840 -0.151 0.000 0.828 69 L CB 0.542 41.948 42.059 -1.087 0.000 1.227 69 L HN 0.291 nan 8.230 nan 0.000 0.415 70 I N 6.123 126.637 120.570 -0.095 0.000 2.355 70 I HA 0.412 4.582 4.170 0.000 0.000 0.288 70 I C -0.727 175.327 176.117 -0.104 0.000 0.999 70 I CA -0.395 60.852 61.300 -0.089 0.000 1.163 70 I CB 1.220 39.197 38.000 -0.039 0.000 1.316 70 I HN 0.550 nan 8.210 nan 0.000 0.454 71 I N 7.901 128.392 120.570 -0.131 0.000 2.339 71 I HA 0.305 4.475 4.170 0.000 0.000 0.290 71 I C 0.089 176.166 176.117 -0.067 0.000 0.994 71 I CA -0.593 60.642 61.300 -0.109 0.000 1.191 71 I CB 1.215 39.123 38.000 -0.154 0.000 1.343 71 I HN 0.511 nan 8.210 nan 0.000 0.458 72 K N 3.664 124.040 120.400 -0.041 0.000 2.627 72 K HA 0.326 4.646 4.320 0.000 0.000 0.269 72 K C 0.079 176.668 176.600 -0.018 0.000 1.029 72 K CA -0.807 55.465 56.287 -0.025 0.000 1.026 72 K CB 0.118 32.609 32.500 -0.016 0.000 1.350 72 K HN 0.416 nan 8.250 nan 0.000 0.506 73 N N 1.385 120.080 118.700 -0.008 0.000 3.024 73 N HA -0.213 4.527 4.740 0.000 0.000 0.296 73 N C -0.925 174.585 175.510 -0.001 0.000 1.053 73 N CA 0.048 53.097 53.050 -0.001 0.000 0.866 73 N CB -1.037 37.451 38.487 0.001 0.000 0.929 73 N HN 0.306 nan 8.380 nan 0.000 0.619 74 L N 0.617 121.840 121.223 -0.002 0.000 2.780 74 L HA -0.105 4.235 4.340 0.000 0.000 0.275 74 L C 0.997 177.871 176.870 0.005 0.000 1.153 74 L CA 0.747 55.586 54.840 -0.002 0.000 0.993 74 L CB 0.030 42.089 42.059 0.001 0.000 1.319 74 L HN 0.362 nan 8.230 nan 0.000 0.479 75 K N 3.108 123.511 120.400 0.004 0.000 2.258 75 K HA 0.136 4.456 4.320 0.000 0.000 0.284 75 K C 1.100 177.700 176.600 -0.001 0.000 1.051 75 K CA -0.670 55.619 56.287 0.004 0.000 0.923 75 K CB 1.195 33.699 32.500 0.007 0.000 1.046 75 K HN 0.352 nan 8.250 nan 0.000 0.474 76 I N 2.767 123.332 120.570 -0.009 0.000 2.181 76 I HA -0.359 3.811 4.170 0.000 0.000 0.247 76 I C 1.629 177.727 176.117 -0.031 0.000 1.081 76 I CA 1.605 62.889 61.300 -0.027 0.000 1.340 76 I CB -0.572 37.411 38.000 -0.028 0.000 1.036 76 I HN 0.681 nan 8.210 nan 0.000 0.417 77 E N 0.347 120.537 120.200 -0.016 0.000 2.335 77 E HA -0.092 4.258 4.350 0.000 0.000 0.191 77 E C 0.182 176.786 176.600 0.006 0.000 1.150 77 E CA 0.386 56.778 56.400 -0.012 0.000 1.001 77 E CB -0.406 29.287 29.700 -0.011 0.000 1.127 77 E HN 0.511 nan 8.360 nan 0.000 0.462 78 D N 0.812 121.225 120.400 0.023 0.000 2.367 78 D HA 0.013 4.653 4.640 0.000 0.000 0.207 78 D C -0.035 176.341 176.300 0.127 0.000 1.034 78 D CA 0.158 54.210 54.000 0.087 0.000 0.861 78 D CB 0.337 41.182 40.800 0.076 0.000 0.943 78 D HN -0.027 nan 8.370 nan 0.000 0.515 79 S N 1.917 117.642 115.700 0.041 0.000 2.611 79 S HA 0.101 4.571 4.470 0.000 0.000 0.317 79 S C -0.063 174.565 174.600 0.046 0.000 1.208 79 S CA 0.449 58.667 58.200 0.031 0.000 1.217 79 S CB 0.264 63.431 63.200 -0.055 0.000 1.085 79 S HN 0.171 nan 8.310 nan 0.000 0.529 80 D N 0.676 121.154 120.400 0.130 0.000 2.692 80 D HA 0.321 4.961 4.640 0.000 0.000 0.303 80 D C -1.130 175.232 176.300 0.105 0.000 1.278 80 D CA -0.435 53.565 54.000 -0.001 0.000 0.852 80 D CB 1.567 42.200 40.800 -0.277 0.000 1.375 80 D HN 0.240 nan 8.370 nan 0.000 0.453 81 T N 1.663 116.217 114.554 0.000 0.000 2.801 81 T HA 0.436 4.786 4.350 0.000 0.000 0.306 81 T C -0.677 174.069 174.700 0.077 0.000 1.020 81 T CA -0.271 61.899 62.100 0.116 0.000 0.948 81 T CB -0.276 68.634 68.868 0.070 0.000 0.962 81 T HN 0.096 nan 8.240 nan 0.000 0.465 82 Y N 2.251 122.629 120.300 0.130 0.000 2.376 82 Y HA 0.644 5.194 4.550 0.000 0.000 0.325 82 Y C 0.503 176.614 175.900 0.351 0.000 1.199 82 Y CA -1.574 56.661 58.100 0.225 0.000 1.206 82 Y CB 0.790 39.353 38.460 0.171 0.000 1.229 82 Y HN 0.458 nan 8.280 nan 0.000 0.480 83 I N 1.492 122.382 120.570 0.533 0.000 2.545 83 I HA 0.310 4.480 4.170 0.000 0.000 0.292 83 I C -1.089 175.160 176.117 0.219 0.000 1.040 83 I CA -0.630 60.870 61.300 0.333 0.000 1.068 83 I CB 1.888 39.995 38.000 0.178 0.000 1.251 83 I HN 0.507 nan 8.210 nan 0.000 0.424 84 C N 5.303 124.495 119.300 -0.179 0.000 2.250 84 C HA 0.270 4.730 4.460 0.000 0.000 0.319 84 C C 0.327 175.133 174.990 -0.307 0.000 1.124 84 C CA -0.438 58.179 59.018 -0.669 0.000 1.527 84 C CB -0.683 26.185 27.740 -1.453 0.000 2.001 84 C HN 0.681 nan 8.230 nan 0.000 0.435 85 E N 3.590 123.702 120.200 -0.146 0.000 1.932 85 E HA 0.274 4.624 4.350 0.000 0.000 0.275 85 E C -0.279 176.102 176.600 -0.365 0.000 1.159 85 E CA -0.017 56.304 56.400 -0.130 0.000 0.905 85 E CB 0.782 30.554 29.700 0.119 0.000 1.059 85 E HN 0.520 nan 8.360 nan 0.000 0.400 86 V N 2.391 122.136 119.914 -0.282 0.000 2.975 86 V HA 0.015 4.135 4.120 0.000 0.000 0.318 86 V C 1.327 177.281 176.094 -0.234 0.000 1.077 86 V CA -0.666 61.453 62.300 -0.302 0.000 1.000 86 V CB 1.642 33.353 31.823 -0.186 0.000 1.066 86 V HN 0.613 nan 8.190 nan 0.000 0.452 87 E N 1.299 121.363 120.200 -0.228 0.000 2.598 87 E HA -0.265 4.085 4.350 0.000 0.000 0.252 87 E C 0.148 176.686 176.600 -0.104 0.000 1.243 87 E CA 1.839 58.144 56.400 -0.157 0.000 0.946 87 E CB -0.447 29.185 29.700 -0.113 0.000 0.827 87 E HN 0.769 nan 8.360 nan 0.000 0.526 88 D N -1.642 118.702 120.400 -0.093 0.000 4.437 88 D HA -0.046 4.594 4.640 0.000 0.000 0.097 88 D C -0.570 175.702 176.300 -0.046 0.000 0.398 88 D CA 0.306 54.271 54.000 -0.059 0.000 0.575 88 D CB -1.048 39.725 40.800 -0.044 0.000 1.641 88 D HN 0.355 nan 8.370 nan 0.000 0.033 89 Q N 0.192 119.958 119.800 -0.056 0.000 2.630 89 Q HA 0.463 4.803 4.340 0.000 0.000 0.295 89 Q C -1.626 174.348 176.000 -0.044 0.000 0.944 89 Q CA -0.578 55.201 55.803 -0.039 0.000 0.766 89 Q CB 2.055 30.773 28.738 -0.034 0.000 1.471 89 Q HN -0.096 nan 8.270 nan 0.000 0.416 90 K N 1.488 121.874 120.400 -0.023 0.000 2.378 90 K HA 0.431 4.751 4.320 0.000 0.000 0.252 90 K C -1.276 175.323 176.600 -0.003 0.000 0.931 90 K CA -0.809 55.469 56.287 -0.015 0.000 0.794 90 K CB 1.998 34.504 32.500 0.011 0.000 1.181 90 K HN 0.367 nan 8.250 nan 0.000 0.425 91 E N 2.429 122.623 120.200 -0.010 0.000 2.129 91 E HA 0.137 4.487 4.350 0.000 0.000 0.268 91 E C -0.994 175.667 176.600 0.103 0.000 0.900 91 E CA -0.366 56.051 56.400 0.028 0.000 0.755 91 E CB 1.819 31.514 29.700 -0.010 0.000 1.117 91 E HN 0.469 nan 8.360 nan 0.000 0.410 92 E N 1.946 122.214 120.200 0.113 0.000 2.167 92 E HA 0.325 4.675 4.350 0.000 0.000 0.284 92 E C -0.966 175.741 176.600 0.177 0.000 1.016 92 E CA -0.481 56.008 56.400 0.147 0.000 0.817 92 E CB 1.368 31.129 29.700 0.101 0.000 1.080 92 E HN 0.117 nan 8.360 nan 0.000 0.397 93 V N 4.094 124.157 119.914 0.248 0.000 2.569 93 V HA 0.215 4.335 4.120 0.000 0.000 0.301 93 V C -0.480 175.756 176.094 0.235 0.000 1.044 93 V CA -0.894 61.542 62.300 0.227 0.000 0.874 93 V CB 1.601 33.582 31.823 0.262 0.000 1.002 93 V HN 0.640 nan 8.190 nan 0.000 0.424 94 Q N 3.448 123.346 119.800 0.164 0.000 2.314 94 Q HA 0.614 4.954 4.340 0.000 0.000 0.259 94 Q C -1.372 174.698 176.000 0.116 0.000 0.951 94 Q CA -0.800 55.098 55.803 0.158 0.000 0.909 94 Q CB 1.830 30.633 28.738 0.108 0.000 1.236 94 Q HN 0.719 nan 8.270 nan 0.000 0.444 95 L N 6.320 127.618 121.223 0.126 0.000 2.272 95 L HA 0.400 4.740 4.340 0.000 0.000 0.284 95 L C -1.605 175.279 176.870 0.023 0.000 1.045 95 L CA -0.116 54.746 54.840 0.038 0.000 0.842 95 L CB 0.745 42.773 42.059 -0.053 0.000 1.224 95 L HN 0.628 nan 8.230 nan 0.000 0.430 96 L N 6.234 127.455 121.223 -0.003 0.000 2.265 96 L HA 0.526 4.866 4.340 0.000 0.000 0.289 96 L C 0.048 176.776 176.870 -0.235 0.000 1.033 96 L CA -0.882 53.883 54.840 -0.125 0.000 0.814 96 L CB 1.257 43.262 42.059 -0.090 0.000 1.203 96 L HN 0.329 nan 8.230 nan 0.000 0.423 97 V N 1.123 120.851 119.914 -0.310 0.000 3.441 97 V HA 0.526 4.646 4.120 0.000 0.000 0.300 97 V C -0.267 175.472 176.094 -0.592 0.000 1.062 97 V CA -0.489 61.672 62.300 -0.231 0.000 1.064 97 V CB 1.123 32.889 31.823 -0.094 0.000 1.197 97 V HN 0.462 nan 8.190 nan 0.000 0.451 98 F N -1.564 118.475 119.950 0.148 0.000 2.779 98 F HA 0.747 5.274 4.527 0.000 0.000 0.316 98 F C 0.241 176.170 175.800 0.215 0.000 1.164 98 F CA -0.257 57.857 58.000 0.191 0.000 0.924 98 F CB 2.137 41.313 39.000 0.293 0.000 1.348 98 F HN 0.770 nan 8.300 nan 0.000 0.467 99 G N 1.928 110.869 108.800 0.234 0.000 2.460 99 G HA2 0.468 4.428 3.960 0.000 0.000 0.299 99 G HA3 0.468 4.428 3.960 0.000 0.000 0.299 99 G C -2.270 172.399 174.900 -0.386 0.000 1.592 99 G CA -0.504 44.528 45.100 -0.114 0.000 1.008 99 G HN 0.607 nan 8.290 nan 0.000 0.513 100 L N 1.990 122.617 121.223 -0.993 0.000 2.367 100 L HA 0.783 5.123 4.340 0.000 0.000 0.275 100 L C 0.222 176.830 176.870 -0.437 0.000 1.129 100 L CA 0.594 55.014 54.840 -0.699 0.000 0.839 100 L CB 1.454 42.975 42.059 -0.895 0.000 1.133 100 L HN 0.370 nan 8.230 nan 0.000 0.453 101 T N 3.760 118.158 114.554 -0.261 0.000 2.932 101 T HA 0.752 5.102 4.350 0.000 0.000 0.318 101 T C -1.380 173.230 174.700 -0.150 0.000 1.265 101 T CA -0.255 61.734 62.100 -0.185 0.000 1.036 101 T CB 1.392 70.174 68.868 -0.142 0.000 1.209 101 T HN 0.764 nan 8.240 nan 0.000 0.484 102 A N 2.599 125.338 122.820 -0.135 0.000 2.303 102 A HA 0.558 4.878 4.320 0.000 0.000 0.320 102 A C 0.998 178.526 177.584 -0.093 0.000 1.192 102 A CA -0.688 51.274 52.037 -0.125 0.000 0.821 102 A CB 0.557 19.472 19.000 -0.143 0.000 1.188 102 A HN 0.891 nan 8.150 nan 0.000 0.492 103 N N 1.516 120.169 118.700 -0.079 0.000 2.336 103 N HA -0.124 4.616 4.740 0.000 0.000 0.177 103 N C 1.262 176.742 175.510 -0.050 0.000 1.018 103 N CA 1.287 54.302 53.050 -0.059 0.000 0.878 103 N CB -0.171 38.286 38.487 -0.050 0.000 0.997 103 N HN 0.637 nan 8.380 nan 0.000 0.433 104 S N 0.985 116.653 115.700 -0.054 0.000 2.584 104 S HA -0.079 4.391 4.470 0.000 0.000 0.240 104 S C 0.633 175.210 174.600 -0.037 0.000 0.975 104 S CA 0.114 58.289 58.200 -0.042 0.000 0.949 104 S CB -0.466 62.707 63.200 -0.045 0.000 0.761 104 S HN 0.200 nan 8.310 nan 0.000 0.536 105 D N 2.216 122.588 120.400 -0.047 0.000 3.568 105 D HA -0.175 4.465 4.640 0.000 0.000 0.239 105 D C 0.050 176.329 176.300 -0.035 0.000 0.841 105 D CA 1.620 55.592 54.000 -0.047 0.000 0.827 105 D CB -1.037 39.734 40.800 -0.048 0.000 0.975 105 D HN 0.303 nan 8.370 nan 0.000 0.346 106 T N 0.333 114.857 114.554 -0.050 0.000 2.153 106 T HA -0.162 4.188 4.350 0.000 0.000 0.179 106 T C -0.141 174.570 174.700 0.018 0.000 1.064 106 T CA 1.442 63.495 62.100 -0.078 0.000 1.637 106 T CB -1.017 67.818 68.868 -0.056 0.000 0.966 106 T HN 0.509 nan 8.240 nan 0.000 0.412 107 H N -0.890 118.171 119.070 -0.014 0.000 3.101 107 H HA -0.100 4.456 4.556 0.000 0.000 0.350 107 H C -0.516 174.801 175.328 -0.017 0.000 1.157 107 H CA -0.271 55.768 56.048 -0.016 0.000 1.141 107 H CB -1.466 28.284 29.762 -0.020 0.000 1.595 107 H HN 0.461 nan 8.280 nan 0.000 0.406 108 L N 3.057 124.316 121.223 0.060 0.000 2.264 108 L HA 0.380 4.720 4.340 0.000 0.000 0.289 108 L C 0.243 177.134 176.870 0.036 0.000 1.044 108 L CA -0.342 54.520 54.840 0.037 0.000 0.807 108 L CB 0.690 42.759 42.059 0.016 0.000 1.192 108 L HN 0.218 nan 8.230 nan 0.000 0.425 109 L N 1.625 122.863 121.223 0.025 0.000 2.440 109 L HA 0.443 4.783 4.340 0.000 0.000 0.262 109 L C 0.532 177.413 176.870 0.018 0.000 1.072 109 L CA -0.576 54.270 54.840 0.010 0.000 0.798 109 L CB 0.239 42.293 42.059 -0.008 0.000 1.307 109 L HN 0.516 nan 8.230 nan 0.000 0.475 110 Q N -0.337 119.473 119.800 0.018 0.000 2.414 110 Q HA 0.224 4.564 4.340 0.000 0.000 0.288 110 Q C 1.161 177.183 176.000 0.038 0.000 1.086 110 Q CA 1.457 57.281 55.803 0.035 0.000 0.943 110 Q CB 0.180 28.946 28.738 0.047 0.000 1.282 110 Q HN 0.739 nan 8.270 nan 0.000 0.438 111 G N 1.508 110.331 108.800 0.040 0.000 4.861 111 G HA2 -0.450 3.510 3.960 0.000 0.000 0.226 111 G HA3 -0.450 3.510 3.960 0.000 0.000 0.226 111 G C -0.179 174.733 174.900 0.020 0.000 1.350 111 G CA 0.547 45.665 45.100 0.030 0.000 1.018 111 G HN 0.714 nan 8.290 nan 0.000 0.712 112 Q N 2.538 122.348 119.800 0.016 0.000 3.186 112 Q HA 0.262 4.603 4.340 0.000 0.000 0.346 112 Q C 0.718 176.718 176.000 -0.001 0.000 1.137 112 Q CA 0.260 56.067 55.803 0.006 0.000 1.199 112 Q CB -0.199 28.542 28.738 0.005 0.000 0.986 112 Q HN 0.619 nan 8.270 nan 0.000 0.426 113 S N 1.838 117.534 115.700 -0.007 0.000 2.536 113 S HA -0.007 4.463 4.470 0.000 0.000 0.290 113 S C -0.094 174.483 174.600 -0.038 0.000 1.302 113 S CA -0.174 58.015 58.200 -0.018 0.000 1.037 113 S CB 0.344 63.532 63.200 -0.020 0.000 0.804 113 S HN 0.471 nan 8.310 nan 0.000 0.506 114 L N 2.402 123.588 121.223 -0.062 0.000 2.346 114 L HA 0.699 5.039 4.340 0.000 0.000 0.276 114 L C -0.004 176.791 176.870 -0.124 0.000 1.006 114 L CA -0.072 54.703 54.840 -0.107 0.000 0.817 114 L CB 1.978 43.939 42.059 -0.163 0.000 1.272 114 L HN 0.721 nan 8.230 nan 0.000 0.421 115 T N 4.882 119.362 114.554 -0.123 0.000 2.841 115 T HA 0.654 5.004 4.350 0.000 0.000 0.283 115 T C -0.968 173.649 174.700 -0.139 0.000 1.000 115 T CA -0.556 61.476 62.100 -0.114 0.000 0.977 115 T CB 0.801 69.622 68.868 -0.078 0.000 0.979 115 T HN 0.604 nan 8.240 nan 0.000 0.446 116 L N 4.437 125.578 121.223 -0.137 0.000 2.388 116 L HA 0.408 4.748 4.340 0.000 0.000 0.267 116 L C 0.039 176.843 176.870 -0.109 0.000 0.995 116 L CA -0.687 54.065 54.840 -0.147 0.000 0.864 116 L CB 1.836 43.784 42.059 -0.184 0.000 1.216 116 L HN 0.781 nan 8.230 nan 0.000 0.430 117 T N 2.883 117.378 114.554 -0.099 0.000 2.928 117 T HA 0.623 4.973 4.350 0.000 0.000 0.284 117 T C -0.513 174.138 174.700 -0.081 0.000 1.008 117 T CA -0.409 61.648 62.100 -0.073 0.000 1.057 117 T CB 2.398 71.231 68.868 -0.058 0.000 1.018 117 T HN 0.211 nan 8.240 nan 0.000 0.493 118 L N 1.339 122.534 121.223 -0.047 0.000 2.354 118 L HA 0.531 4.871 4.340 0.000 0.000 0.269 118 L C -0.455 176.425 176.870 0.015 0.000 1.005 118 L CA -0.523 54.299 54.840 -0.031 0.000 0.819 118 L CB 1.915 43.978 42.059 0.008 0.000 1.311 118 L HN 0.602 nan 8.230 nan 0.000 0.423 119 E N 1.654 121.874 120.200 0.033 0.000 2.204 119 E HA 0.721 5.071 4.350 0.000 0.000 0.276 119 E C -1.290 175.380 176.600 0.116 0.000 0.974 119 E CA -0.533 55.893 56.400 0.043 0.000 0.815 119 E CB 1.756 31.461 29.700 0.008 0.000 1.119 119 E HN 0.620 nan 8.360 nan 0.000 0.393 120 S N 1.742 117.466 115.700 0.040 0.000 2.567 120 S HA 0.338 4.808 4.470 0.000 0.000 0.270 120 S C -2.762 171.769 174.600 -0.114 0.000 1.152 120 S CA -1.156 57.008 58.200 -0.061 0.000 0.835 120 S CB 1.507 64.824 63.200 0.195 0.000 1.115 120 S HN 0.421 nan 8.310 nan 0.000 0.459 121 P HA 0.203 nan 4.420 nan 0.000 0.267 121 P C -2.201 175.070 177.300 -0.049 0.000 1.205 121 P CA -0.757 62.268 63.100 -0.124 0.000 0.765 121 P CB -0.201 31.407 31.700 -0.153 0.000 0.828 122 P HA -0.224 nan 4.420 nan 0.000 0.224 122 P C 1.200 178.504 177.300 0.005 0.000 1.153 122 P CA 2.275 65.371 63.100 -0.008 0.000 0.947 122 P CB -0.387 31.306 31.700 -0.011 0.000 0.790 123 G N -1.744 107.058 108.800 0.003 0.000 3.782 123 G HA2 0.338 4.298 3.960 0.000 0.000 0.288 123 G HA3 0.338 4.298 3.960 0.000 0.000 0.288 123 G C -0.411 174.508 174.900 0.032 0.000 1.300 123 G CA -0.032 45.078 45.100 0.016 0.000 1.261 123 G HN 0.290 nan 8.290 nan 0.000 0.591 124 S N -1.117 114.614 115.700 0.051 0.000 2.618 124 S HA 0.749 5.219 4.470 0.000 0.000 0.277 124 S C -0.790 173.888 174.600 0.129 0.000 1.138 124 S CA -0.739 57.515 58.200 0.090 0.000 0.844 124 S CB 2.156 65.424 63.200 0.114 0.000 1.127 124 S HN 0.032 nan 8.310 nan 0.000 0.474 125 S N 2.669 118.453 115.700 0.140 0.000 2.500 125 S HA 0.789 5.259 4.470 0.000 0.000 0.301 125 S C -2.558 172.121 174.600 0.132 0.000 1.092 125 S CA -1.043 57.235 58.200 0.131 0.000 1.030 125 S CB 1.672 64.917 63.200 0.075 0.000 1.031 125 S HN 0.629 nan 8.310 nan 0.000 0.483 126 P HA 0.688 nan 4.420 nan 0.000 0.307 126 P C -1.256 176.027 177.300 -0.028 0.000 1.307 126 P CA -0.787 62.298 63.100 -0.025 0.000 0.814 126 P CB 1.507 33.181 31.700 -0.043 0.000 1.311 127 S N -1.236 114.423 115.700 -0.070 0.000 2.543 127 S HA 0.421 4.891 4.470 0.000 0.000 0.273 127 S C -1.166 173.407 174.600 -0.045 0.000 1.152 127 S CA -0.440 57.738 58.200 -0.037 0.000 0.910 127 S CB 1.128 64.312 63.200 -0.026 0.000 1.105 127 S HN 0.215 nan 8.310 nan 0.000 0.465 128 V N 3.388 123.290 119.914 -0.021 0.000 2.487 128 V HA 0.545 4.665 4.120 0.000 0.000 0.298 128 V C -0.235 175.867 176.094 0.014 0.000 1.028 128 V CA -0.613 61.683 62.300 -0.006 0.000 0.860 128 V CB 1.697 33.516 31.823 -0.008 0.000 0.991 128 V HN 0.852 nan 8.190 nan 0.000 0.427 129 Q N 3.983 123.801 119.800 0.031 0.000 2.506 129 Q HA 0.311 4.651 4.340 0.000 0.000 0.242 129 Q C -1.190 174.864 176.000 0.091 0.000 1.060 129 Q CA -0.447 55.386 55.803 0.050 0.000 0.826 129 Q CB 1.010 29.769 28.738 0.035 0.000 1.169 129 Q HN 0.815 nan 8.270 nan 0.000 0.521 130 C N 4.933 124.307 119.300 0.124 0.000 2.289 130 C HA 0.376 4.836 4.460 0.000 0.000 0.340 130 C C 0.468 175.647 174.990 0.315 0.000 1.152 130 C CA -0.563 58.588 59.018 0.223 0.000 1.650 130 C CB -0.901 26.948 27.740 0.183 0.000 2.203 130 C HN 0.729 nan 8.230 nan 0.000 0.511 131 R N 2.428 123.066 120.500 0.231 0.000 2.389 131 R HA 0.343 4.683 4.340 0.000 0.000 0.295 131 R C 0.594 176.935 176.300 0.068 0.000 1.075 131 R CA 0.059 56.231 56.100 0.120 0.000 1.005 131 R CB 0.793 31.123 30.300 0.050 0.000 0.987 131 R HN 0.816 nan 8.270 nan 0.000 0.452 132 S N 3.243 118.789 115.700 -0.257 0.000 2.645 132 S HA 0.205 4.675 4.470 0.000 0.000 0.266 132 S C -1.833 172.384 174.600 -0.637 0.000 1.258 132 S CA -1.320 56.284 58.200 -0.993 0.000 0.990 132 S CB 1.071 63.592 63.200 -1.132 0.000 0.967 132 S HN 0.381 nan 8.310 nan 0.000 0.556 133 P HA 0.073 nan 4.420 nan 0.000 0.223 133 P C 0.101 177.238 177.300 -0.271 0.000 1.151 133 P CA 0.878 63.752 63.100 -0.378 0.000 0.787 133 P CB 0.170 31.669 31.700 -0.335 0.000 0.788 134 R N -0.735 119.572 120.500 -0.320 0.000 2.539 134 R HA 0.477 4.817 4.340 0.000 0.000 0.295 134 R C 0.377 176.561 176.300 -0.193 0.000 1.138 134 R CA -0.011 55.969 56.100 -0.200 0.000 0.936 134 R CB 1.090 31.301 30.300 -0.149 0.000 1.182 134 R HN 0.116 nan 8.270 nan 0.000 0.459 135 G N 2.944 111.659 108.800 -0.142 0.000 2.547 135 G HA2 -0.407 3.553 3.960 0.000 0.000 0.271 135 G HA3 -0.407 3.553 3.960 0.000 0.000 0.271 135 G C -0.660 174.178 174.900 -0.103 0.000 1.209 135 G CA 0.191 45.230 45.100 -0.102 0.000 0.959 135 G HN 0.810 nan 8.290 nan 0.000 0.563 136 K N 0.052 120.418 120.400 -0.057 0.000 4.926 136 K HA -0.219 4.101 4.320 0.000 0.000 0.412 136 K C 0.003 176.615 176.600 0.019 0.000 0.867 136 K CA 1.279 57.559 56.287 -0.012 0.000 0.998 136 K CB -1.343 31.162 32.500 0.009 0.000 1.967 136 K HN 0.626 nan 8.250 nan 0.000 0.314 137 N N 5.059 123.777 118.700 0.030 0.000 3.178 137 N HA 0.049 4.789 4.740 0.000 0.000 0.300 137 N C 0.118 175.675 175.510 0.079 0.000 1.242 137 N CA -0.098 52.983 53.050 0.051 0.000 1.192 137 N CB 0.137 38.643 38.487 0.031 0.000 1.463 137 N HN 0.492 nan 8.380 nan 0.000 0.539 138 I N 2.449 123.099 120.570 0.134 0.000 2.598 138 I HA -0.097 4.073 4.170 0.000 0.000 0.284 138 I C -0.148 176.031 176.117 0.103 0.000 1.140 138 I CA 0.082 61.462 61.300 0.133 0.000 1.420 138 I CB 0.282 38.404 38.000 0.203 0.000 1.387 138 I HN 0.378 nan 8.210 nan 0.000 0.553 139 Q N 6.243 126.080 119.800 0.061 0.000 2.451 139 Q HA 0.924 5.264 4.340 0.000 0.000 0.281 139 Q C -0.664 175.348 176.000 0.022 0.000 1.099 139 Q CA -0.833 54.994 55.803 0.039 0.000 0.806 139 Q CB 2.085 30.842 28.738 0.032 0.000 1.419 139 Q HN 0.665 nan 8.270 nan 0.000 0.427 140 G N -0.670 108.136 108.800 0.010 0.000 2.694 140 G HA2 0.635 4.595 3.960 0.000 0.000 0.246 140 G HA3 0.635 4.595 3.960 0.000 0.000 0.246 140 G C -0.735 174.164 174.900 -0.002 0.000 1.205 140 G CA -0.278 44.823 45.100 0.001 0.000 0.891 140 G HN 0.822 nan 8.290 nan 0.000 0.515 141 G N -0.634 108.163 108.800 -0.005 0.000 3.271 141 G HA2 0.433 4.393 3.960 0.000 0.000 0.174 141 G HA3 0.433 4.393 3.960 0.000 0.000 0.174 141 G C 1.001 175.900 174.900 -0.002 0.000 1.385 141 G CA 0.567 45.667 45.100 -0.001 0.000 0.979 141 G HN 0.850 nan 8.290 nan 0.000 0.610 142 K N -0.943 119.460 120.400 0.005 0.000 2.555 142 K HA 0.220 4.540 4.320 0.000 0.000 0.193 142 K C 0.001 176.596 176.600 -0.009 0.000 1.032 142 K CA 0.759 57.053 56.287 0.012 0.000 1.004 142 K CB 0.129 32.642 32.500 0.022 0.000 0.804 142 K HN 0.156 nan 8.250 nan 0.000 0.496 143 T N 0.884 115.428 114.554 -0.018 0.000 3.097 143 T HA 0.492 4.842 4.350 0.000 0.000 0.332 143 T C -2.242 172.437 174.700 -0.035 0.000 1.269 143 T CA -0.960 61.120 62.100 -0.033 0.000 1.076 143 T CB 1.273 70.123 68.868 -0.030 0.000 1.209 143 T HN 0.333 nan 8.240 nan 0.000 0.474 144 L N 0.655 121.846 121.223 -0.053 0.000 2.565 144 L HA 0.949 5.289 4.340 0.000 0.000 0.261 144 L C -0.951 175.868 176.870 -0.085 0.000 0.932 144 L CA -0.515 54.294 54.840 -0.052 0.000 0.878 144 L CB 2.150 44.186 42.059 -0.038 0.000 1.333 144 L HN 0.449 nan 8.230 nan 0.000 0.409 145 S N 1.836 117.492 115.700 -0.074 0.000 2.513 145 S HA 0.766 5.236 4.470 0.000 0.000 0.299 145 S C -0.408 174.144 174.600 -0.081 0.000 1.087 145 S CA -0.768 57.374 58.200 -0.097 0.000 1.012 145 S CB 2.178 65.335 63.200 -0.072 0.000 1.044 145 S HN 0.548 nan 8.310 nan 0.000 0.485 146 V N 3.667 123.510 119.914 -0.118 0.000 2.461 146 V HA 0.198 4.318 4.120 0.000 0.000 0.275 146 V C 1.381 177.465 176.094 -0.016 0.000 1.047 146 V CA -0.195 62.073 62.300 -0.053 0.000 0.955 146 V CB 0.708 32.475 31.823 -0.094 0.000 0.988 146 V HN 1.141 nan 8.190 nan 0.000 0.471 147 S N 5.724 121.434 115.700 0.016 0.000 2.298 147 S HA -0.159 4.311 4.470 0.000 0.000 0.261 147 S C 0.422 175.033 174.600 0.019 0.000 1.347 147 S CA 0.619 58.828 58.200 0.015 0.000 2.316 147 S CB -0.396 62.818 63.200 0.023 0.000 0.678 147 S HN 0.826 nan 8.310 nan 0.000 0.358 148 Q N 1.225 121.043 119.800 0.029 0.000 2.347 148 Q HA 0.675 5.015 4.340 0.000 0.000 0.262 148 Q C -1.374 174.657 176.000 0.051 0.000 0.980 148 Q CA -0.403 55.418 55.803 0.030 0.000 0.867 148 Q CB 0.861 29.612 28.738 0.021 0.000 1.242 148 Q HN 0.436 nan 8.270 nan 0.000 0.453 149 L N 2.462 123.721 121.223 0.060 0.000 2.513 149 L HA 0.062 4.402 4.340 0.000 0.000 0.272 149 L C 0.402 177.317 176.870 0.075 0.000 1.187 149 L CA 0.754 55.648 54.840 0.091 0.000 0.895 149 L CB 0.094 42.213 42.059 0.099 0.000 1.147 149 L HN 0.571 nan 8.230 nan 0.000 0.483 150 E N 2.875 123.122 120.200 0.079 0.000 2.166 150 E HA 0.107 4.457 4.350 0.000 0.000 0.275 150 E C 0.584 177.218 176.600 0.056 0.000 0.941 150 E CA -0.807 55.629 56.400 0.059 0.000 0.784 150 E CB 1.738 31.467 29.700 0.048 0.000 1.115 150 E HN 0.449 nan 8.360 nan 0.000 0.399 151 L N 4.343 125.595 121.223 0.048 0.000 2.239 151 L HA -0.392 3.948 4.340 0.000 0.000 0.242 151 L C 2.340 179.229 176.870 0.031 0.000 1.130 151 L CA 3.030 57.894 54.840 0.039 0.000 0.852 151 L CB -1.308 40.774 42.059 0.038 0.000 0.959 151 L HN 0.832 nan 8.230 nan 0.000 0.447 152 Q N -1.143 118.668 119.800 0.018 0.000 2.389 152 Q HA -0.196 4.144 4.340 0.000 0.000 0.213 152 Q C 0.995 176.969 176.000 -0.043 0.000 0.989 152 Q CA 2.102 57.899 55.803 -0.011 0.000 0.891 152 Q CB -0.646 28.082 28.738 -0.017 0.000 0.923 152 Q HN 0.585 nan 8.270 nan 0.000 0.455 153 D N 0.399 120.793 120.400 -0.010 0.000 2.413 153 D HA 0.106 4.746 4.640 0.000 0.000 0.237 153 D C -0.624 175.711 176.300 0.058 0.000 1.171 153 D CA 0.138 54.121 54.000 -0.029 0.000 0.839 153 D CB 0.188 41.069 40.800 0.135 0.000 0.950 153 D HN 0.179 nan 8.370 nan 0.000 0.499 154 S N -0.720 114.997 115.700 0.028 0.000 2.554 154 S HA 0.618 5.088 4.470 0.000 0.000 0.278 154 S C 0.658 175.277 174.600 0.031 0.000 1.242 154 S CA 0.141 58.382 58.200 0.069 0.000 1.051 154 S CB 1.357 64.584 63.200 0.045 0.000 0.986 154 S HN 0.464 nan 8.310 nan 0.000 0.502 155 G N 2.161 111.010 108.800 0.082 0.000 2.181 155 G HA2 0.033 3.993 3.960 0.000 0.000 0.098 155 G HA3 0.033 3.993 3.960 0.000 0.000 0.098 155 G C -0.573 174.393 174.900 0.110 0.000 1.237 155 G CA -0.102 45.028 45.100 0.051 0.000 1.238 155 G HN 0.817 nan 8.290 nan 0.000 0.468 156 T N 0.778 115.371 114.554 0.065 0.000 2.881 156 T HA 0.582 4.932 4.350 0.000 0.000 0.291 156 T C -0.899 173.875 174.700 0.123 0.000 0.990 156 T CA -0.195 61.985 62.100 0.134 0.000 0.976 156 T CB 0.523 69.438 68.868 0.078 0.000 0.970 156 T HN 0.450 nan 8.240 nan 0.000 0.438 157 W N 2.062 123.371 121.300 0.015 0.000 2.030 157 W HA 0.547 5.207 4.660 0.000 0.000 0.412 157 W C 0.496 177.031 176.519 0.028 0.000 1.715 157 W CA -0.424 56.932 57.345 0.018 0.000 1.895 157 W CB 0.555 30.025 29.460 0.017 0.000 1.381 157 W HN 0.441 nan 8.180 nan 0.000 0.717 158 T N -0.225 114.512 114.554 0.305 0.000 3.477 158 T HA 0.246 4.596 4.350 0.000 0.000 0.277 158 T C -0.941 173.870 174.700 0.185 0.000 1.090 158 T CA -0.862 61.352 62.100 0.190 0.000 1.635 158 T CB -1.051 67.878 68.868 0.102 0.000 0.817 158 T HN 0.296 nan 8.240 nan 0.000 0.609 159 C N 2.236 121.662 119.300 0.211 0.000 2.644 159 C HA 0.627 5.087 4.460 0.000 0.000 0.417 159 C C 1.053 176.139 174.990 0.161 0.000 1.304 159 C CA -0.309 58.812 59.018 0.172 0.000 2.035 159 C CB -0.261 27.562 27.740 0.139 0.000 2.673 159 C HN 0.739 nan 8.230 nan 0.000 0.602 160 T N 2.174 116.788 114.554 0.099 0.000 2.809 160 T HA 0.316 4.666 4.350 0.000 0.000 0.284 160 T C -0.259 174.450 174.700 0.014 0.000 0.992 160 T CA -0.294 61.833 62.100 0.045 0.000 0.957 160 T CB 1.201 70.072 68.868 0.005 0.000 0.942 160 T HN 0.432 nan 8.240 nan 0.000 0.439 161 V N 5.343 125.247 119.914 -0.016 0.000 2.313 161 V HA 0.243 4.363 4.120 0.000 0.000 0.252 161 V C 0.332 176.259 176.094 -0.278 0.000 1.112 161 V CA -0.482 61.718 62.300 -0.166 0.000 0.984 161 V CB 0.047 31.723 31.823 -0.245 0.000 1.157 161 V HN 0.711 nan 8.190 nan 0.000 0.493 162 L N 5.481 126.595 121.223 -0.183 0.000 2.331 162 L HA 0.605 4.945 4.340 0.000 0.000 0.278 162 L C -0.160 176.614 176.870 -0.159 0.000 1.106 162 L CA -0.035 54.722 54.840 -0.138 0.000 0.824 162 L CB 1.218 43.237 42.059 -0.067 0.000 1.142 162 L HN 0.839 nan 8.230 nan 0.000 0.443 163 Q N 5.855 125.594 119.800 -0.102 0.000 2.364 163 Q HA 0.359 4.699 4.340 0.000 0.000 0.251 163 Q C -0.639 175.383 176.000 0.037 0.000 0.927 163 Q CA -0.495 55.302 55.803 -0.009 0.000 0.924 163 Q CB 1.002 29.774 28.738 0.058 0.000 1.419 163 Q HN 0.863 nan 8.270 nan 0.000 0.427 164 N N 1.577 120.305 118.700 0.046 0.000 6.506 164 N HA -0.263 4.477 4.740 0.000 0.000 0.396 164 N C -0.328 175.197 175.510 0.026 0.000 0.931 164 N CA 1.205 54.282 53.050 0.045 0.000 1.204 164 N CB -0.327 38.200 38.487 0.066 0.000 0.829 164 N HN 0.971 nan 8.380 nan 0.000 0.351 165 Q N 0.687 120.503 119.800 0.027 0.000 2.373 165 Q HA 0.109 4.450 4.340 0.000 0.000 0.206 165 Q C -0.407 175.601 176.000 0.013 0.000 0.942 165 Q CA 0.794 56.607 55.803 0.017 0.000 0.953 165 Q CB 0.214 28.963 28.738 0.018 0.000 1.022 165 Q HN 0.214 nan 8.270 nan 0.000 0.502 166 K N 1.303 121.713 120.400 0.018 0.000 2.238 166 K HA 0.466 4.786 4.320 0.000 0.000 0.239 166 K C -1.224 175.369 176.600 -0.010 0.000 0.987 166 K CA -0.542 55.753 56.287 0.013 0.000 0.857 166 K CB 1.660 34.183 32.500 0.038 0.000 1.154 166 K HN 0.219 nan 8.250 nan 0.000 0.439 167 K N -1.377 119.004 120.400 -0.030 0.000 2.562 167 K HA 0.604 4.924 4.320 0.000 0.000 0.267 167 K C -1.707 174.837 176.600 -0.093 0.000 0.938 167 K CA -1.067 55.176 56.287 -0.073 0.000 0.840 167 K CB 1.915 34.378 32.500 -0.062 0.000 1.390 167 K HN 0.226 nan 8.250 nan 0.000 0.428 168 V N 1.632 121.453 119.914 -0.155 0.000 2.483 168 V HA 0.297 4.417 4.120 0.000 0.000 0.297 168 V C -0.736 175.173 176.094 -0.308 0.000 1.027 168 V CA -0.375 61.791 62.300 -0.223 0.000 0.855 168 V CB 1.565 33.252 31.823 -0.227 0.000 0.995 168 V HN 0.889 nan 8.190 nan 0.000 0.424 169 E N 4.163 124.192 120.200 -0.285 0.000 2.374 169 E HA 0.424 4.774 4.350 0.000 0.000 0.260 169 E C -1.589 174.768 176.600 -0.404 0.000 1.101 169 E CA -0.117 56.158 56.400 -0.208 0.000 0.907 169 E CB 1.087 30.721 29.700 -0.110 0.000 1.014 169 E HN 0.581 nan 8.360 nan 0.000 0.427 170 F N 1.019 120.977 119.950 0.014 0.000 2.574 170 F HA 0.301 4.828 4.527 0.000 0.000 0.313 170 F C -0.193 175.630 175.800 0.038 0.000 1.130 170 F CA -0.700 57.313 58.000 0.021 0.000 0.936 170 F CB 1.750 40.757 39.000 0.011 0.000 1.219 170 F HN 0.121 nan 8.300 nan 0.000 0.445 171 K N 4.082 124.638 120.400 0.259 0.000 2.419 171 K HA 0.465 4.785 4.320 0.000 0.000 0.244 171 K C -1.114 175.578 176.600 0.153 0.000 1.045 171 K CA -0.567 55.824 56.287 0.174 0.000 1.004 171 K CB 0.928 33.497 32.500 0.114 0.000 1.376 171 K HN 0.468 nan 8.250 nan 0.000 0.460 172 I N 2.126 122.784 120.570 0.146 0.000 2.498 172 I HA 0.164 4.334 4.170 0.000 0.000 0.301 172 I C -0.771 175.420 176.117 0.124 0.000 0.984 172 I CA -0.406 60.940 61.300 0.078 0.000 1.204 172 I CB 1.410 39.398 38.000 -0.019 0.000 1.362 172 I HN 0.429 nan 8.210 nan 0.000 0.471 173 D N 7.139 127.590 120.400 0.084 0.000 2.217 173 D HA 0.587 5.227 4.640 0.000 0.000 0.243 173 D C -0.886 175.475 176.300 0.101 0.000 1.054 173 D CA 0.275 54.346 54.000 0.118 0.000 0.838 173 D CB 1.360 42.200 40.800 0.068 0.000 1.162 173 D HN 0.244 nan 8.370 nan 0.000 0.472 174 I N 2.088 122.778 120.570 0.199 0.000 2.503 174 I HA 0.207 4.377 4.170 0.000 0.000 0.282 174 I C -1.093 175.130 176.117 0.177 0.000 1.059 174 I CA -0.720 60.679 61.300 0.164 0.000 1.081 174 I CB 1.918 40.019 38.000 0.168 0.000 1.210 174 I HN 0.039 nan 8.210 nan 0.000 0.450 175 V N 7.372 127.341 119.914 0.092 0.000 2.370 175 V HA 0.405 4.525 4.120 0.000 0.000 0.283 175 V C -0.189 175.941 176.094 0.060 0.000 1.023 175 V CA -0.570 61.774 62.300 0.073 0.000 0.857 175 V CB 2.212 34.061 31.823 0.043 0.000 0.985 175 V HN 0.357 nan 8.190 nan 0.000 0.443 176 V N 7.774 127.727 119.914 0.065 0.000 2.334 176 V HA 0.323 4.443 4.120 0.000 0.000 0.267 176 V C 0.280 176.387 176.094 0.022 0.000 1.040 176 V CA -0.276 62.054 62.300 0.049 0.000 0.866 176 V CB 1.168 33.027 31.823 0.060 0.000 1.019 176 V HN 0.693 nan 8.190 nan 0.000 0.468 177 L N 5.171 126.400 121.223 0.011 0.000 2.452 177 L HA 0.685 5.025 4.340 0.000 0.000 0.267 177 L C 0.508 177.344 176.870 -0.057 0.000 1.188 177 L CA 0.785 55.612 54.840 -0.021 0.000 0.821 177 L CB 1.146 43.196 42.059 -0.014 0.000 1.102 177 L HN 0.899 nan 8.230 nan 0.000 0.470 178 A N 2.269 125.012 122.820 -0.129 0.000 5.432 178 A HA 0.406 4.726 4.320 0.000 0.000 0.181 178 A C -1.842 175.488 177.584 -0.423 0.000 0.940 178 A CA -0.535 51.380 52.037 -0.202 0.000 0.828 178 A CB -0.321 18.627 19.000 -0.086 0.000 2.058 178 A HN 0.465 nan 8.150 nan 0.000 1.020 179 F N -0.385 119.587 119.950 0.036 0.000 2.603 179 F HA 0.674 5.201 4.527 0.000 0.000 0.317 179 F C 0.595 176.426 175.800 0.051 0.000 1.066 179 F CA -0.024 58.005 58.000 0.048 0.000 0.941 179 F CB 2.278 41.306 39.000 0.048 0.000 1.291 179 F HN 0.557 nan 8.300 nan 0.000 0.472 180 Q N 1.960 121.938 119.800 0.296 0.000 2.268 180 Q HA 0.352 4.692 4.340 0.000 0.000 0.289 180 Q C -1.218 174.880 176.000 0.163 0.000 0.893 180 Q CA 0.068 55.978 55.803 0.179 0.000 1.057 180 Q CB 0.114 28.940 28.738 0.146 0.000 1.173 180 Q HN 0.412 nan 8.270 nan 0.000 0.449 181 K N -1.615 118.888 120.400 0.171 0.000 2.622 181 K HA 0.640 4.960 4.320 0.000 0.000 0.273 181 K C -1.140 175.506 176.600 0.075 0.000 0.957 181 K CA 0.326 56.680 56.287 0.112 0.000 0.861 181 K CB 0.493 33.063 32.500 0.117 0.000 1.405 181 K HN -0.027 nan 8.250 nan 0.000 0.406 182 A N 1.042 123.888 122.820 0.043 0.000 2.054 182 A HA 0.309 4.629 4.320 0.000 0.000 0.221 182 A C -0.020 177.549 177.584 -0.024 0.000 1.587 182 A CA 0.829 52.873 52.037 0.012 0.000 0.664 182 A CB -0.235 18.773 19.000 0.013 0.000 1.248 182 A HN 0.454 nan 8.150 nan 0.000 0.527 183 S N 0.859 116.551 115.700 -0.014 0.000 2.520 183 S HA 0.541 5.011 4.470 0.000 0.000 0.324 183 S C -0.532 174.066 174.600 -0.004 0.000 1.069 183 S CA -0.567 57.614 58.200 -0.032 0.000 1.121 183 S CB 0.264 63.445 63.200 -0.032 0.000 0.971 183 S HN 0.403 nan 8.310 nan 0.000 0.463 184 S N 4.618 120.325 115.700 0.011 0.000 2.584 184 S HA 0.604 5.074 4.470 0.000 0.000 0.273 184 S C -0.291 174.324 174.600 0.026 0.000 1.311 184 S CA -0.563 57.672 58.200 0.059 0.000 1.034 184 S CB 0.651 63.943 63.200 0.154 0.000 0.939 184 S HN 0.734 nan 8.310 nan 0.000 0.513 185 I N 1.972 122.538 120.570 -0.006 0.000 2.656 185 I HA 0.375 4.545 4.170 0.000 0.000 0.292 185 I C -1.441 174.563 176.117 -0.187 0.000 1.144 185 I CA -0.670 60.559 61.300 -0.119 0.000 1.038 185 I CB 2.119 39.983 38.000 -0.227 0.000 1.244 185 I HN 0.310 nan 8.210 nan 0.000 0.420 186 V N 6.419 126.227 119.914 -0.176 0.000 2.531 186 V HA 0.403 4.523 4.120 0.000 0.000 0.301 186 V C -1.328 174.662 176.094 -0.173 0.000 1.034 186 V CA -0.684 61.532 62.300 -0.140 0.000 0.865 186 V CB 1.769 33.559 31.823 -0.055 0.000 0.995 186 V HN 0.407 nan 8.190 nan 0.000 0.424 187 Y N 4.361 124.706 120.300 0.074 0.000 2.342 187 Y HA 0.702 5.252 4.550 0.000 0.000 0.338 187 Y C 0.414 176.344 175.900 0.050 0.000 0.965 187 Y CA -0.611 57.535 58.100 0.076 0.000 1.159 187 Y CB 1.235 39.733 38.460 0.063 0.000 1.157 187 Y HN 0.456 nan 8.280 nan 0.000 0.486 188 K N 1.698 122.216 120.400 0.196 0.000 2.283 188 K HA 0.904 5.224 4.320 0.000 0.000 0.257 188 K C -0.764 175.907 176.600 0.119 0.000 1.066 188 K CA -1.131 55.224 56.287 0.112 0.000 0.891 188 K CB 1.425 33.949 32.500 0.040 0.000 1.438 188 K HN 0.397 nan 8.250 nan 0.000 0.464 189 K N 0.544 120.990 120.400 0.077 0.000 2.422 189 K HA 0.262 4.582 4.320 0.000 0.000 0.251 189 K C -0.429 176.202 176.600 0.053 0.000 0.933 189 K CA -0.712 55.625 56.287 0.084 0.000 0.798 189 K CB 1.247 33.790 32.500 0.072 0.000 1.238 189 K HN 0.681 nan 8.250 nan 0.000 0.428 190 E N 0.782 121.025 120.200 0.070 0.000 3.355 190 E HA -0.065 4.285 4.350 0.000 0.000 0.234 190 E C 1.023 177.621 176.600 -0.003 0.000 0.952 190 E CA 1.998 58.417 56.400 0.033 0.000 0.928 190 E CB -1.111 28.627 29.700 0.064 0.000 0.873 190 E HN 1.127 nan 8.360 nan 0.000 0.525 191 G N 3.755 112.532 108.800 -0.039 0.000 3.736 191 G HA2 -0.230 3.730 3.960 0.000 0.000 0.196 191 G HA3 -0.230 3.730 3.960 0.000 0.000 0.196 191 G C -0.454 174.411 174.900 -0.059 0.000 1.811 191 G CA -0.242 44.828 45.100 -0.049 0.000 1.175 191 G HN 0.513 nan 8.290 nan 0.000 0.429 192 E N 2.510 122.687 120.200 -0.038 0.000 2.820 192 E HA 0.100 4.450 4.350 0.000 0.000 0.251 192 E C 0.535 177.089 176.600 -0.076 0.000 0.944 192 E CA 0.284 56.658 56.400 -0.044 0.000 0.955 192 E CB 0.404 30.091 29.700 -0.022 0.000 0.904 192 E HN 0.459 nan 8.360 nan 0.000 0.513 193 Q N 3.703 123.454 119.800 -0.081 0.000 2.276 193 Q HA 0.028 4.368 4.340 0.000 0.000 0.267 193 Q C -0.761 175.162 176.000 -0.128 0.000 1.135 193 Q CA -0.260 55.482 55.803 -0.101 0.000 0.910 193 Q CB 0.466 29.155 28.738 -0.081 0.000 1.271 193 Q HN 0.311 nan 8.270 nan 0.000 0.417 194 V N 4.160 123.972 119.914 -0.170 0.000 2.686 194 V HA 0.260 4.380 4.120 0.000 0.000 0.295 194 V C 0.371 176.254 176.094 -0.351 0.000 1.055 194 V CA 0.006 62.135 62.300 -0.285 0.000 1.050 194 V CB 1.378 32.985 31.823 -0.360 0.000 0.984 194 V HN 0.745 nan 8.190 nan 0.000 0.482 195 E N 1.784 121.709 120.200 -0.458 0.000 2.343 195 E HA 0.632 4.982 4.350 0.000 0.000 0.270 195 E C -1.932 174.347 176.600 -0.536 0.000 0.895 195 E CA -0.490 55.699 56.400 -0.352 0.000 0.767 195 E CB 2.481 32.071 29.700 -0.184 0.000 1.248 195 E HN 0.471 nan 8.360 nan 0.000 0.440 196 F N 0.000 119.921 119.950 -0.049 0.000 2.613 196 F HA 0.491 5.018 4.527 0.000 0.000 0.314 196 F C 0.038 175.578 175.800 -0.434 0.000 1.075 196 F CA -0.633 57.263 58.000 -0.174 0.000 0.945 196 F CB 2.381 41.321 39.000 -0.100 0.000 1.310 196 F HN 0.157 nan 8.300 nan 0.000 0.467 197 S N 1.451 116.874 115.700 -0.462 0.000 2.592 197 S HA 0.728 5.198 4.470 0.000 0.000 0.275 197 S C -1.942 172.319 174.600 -0.565 0.000 1.169 197 S CA -0.528 57.319 58.200 -0.588 0.000 0.958 197 S CB 0.398 63.528 63.200 -0.117 0.000 1.095 197 S HN 0.410 nan 8.310 nan 0.000 0.471 198 F N 4.147 124.123 119.950 0.043 0.000 2.553 198 F HA 0.576 5.103 4.527 0.000 0.000 0.335 198 F C -2.357 173.549 175.800 0.176 0.000 1.148 198 F CA -1.734 56.297 58.000 0.051 0.000 0.963 198 F CB 1.284 40.190 39.000 -0.157 0.000 1.217 198 F HN 0.233 nan 8.300 nan 0.000 0.441 199 P HA 0.553 nan 4.420 nan 0.000 0.285 199 P C -0.626 176.798 177.300 0.206 0.000 1.285 199 P CA -0.400 62.813 63.100 0.188 0.000 0.854 199 P CB 2.848 34.609 31.700 0.102 0.000 1.180 200 L N -0.013 121.224 121.223 0.023 0.000 2.741 200 L HA 0.702 5.042 4.340 0.000 0.000 0.217 200 L C 0.293 177.138 176.870 -0.042 0.000 1.579 200 L CA -0.440 54.352 54.840 -0.081 0.000 2.792 200 L CB -0.081 41.868 42.059 -0.184 0.000 2.589 200 L HN 0.453 nan 8.230 nan 0.000 0.856 201 A N -1.218 121.573 122.820 -0.049 0.000 3.134 201 A HA 0.360 4.680 4.320 0.000 0.000 0.237 201 A C -0.293 177.380 177.584 0.150 0.000 1.233 201 A CA -0.562 51.517 52.037 0.070 0.000 1.112 201 A CB -0.500 18.537 19.000 0.062 0.000 1.365 201 A HN 0.515 nan 8.150 nan 0.000 0.796 202 F N 0.679 120.628 119.950 -0.001 0.000 2.454 202 F HA -0.415 4.112 4.527 0.000 0.000 0.636 202 F C 1.681 177.478 175.800 -0.005 0.000 0.602 202 F CA 3.453 61.453 58.000 0.001 0.000 1.049 202 F CB -1.926 37.078 39.000 0.008 0.000 1.471 202 F HN 1.556 nan 8.300 nan 0.000 0.254 203 T N -1.968 112.692 114.554 0.177 0.000 0.542 203 T HA 0.070 4.420 4.350 0.000 0.000 0.774 203 T C -0.426 174.328 174.700 0.090 0.000 0.992 203 T CA 0.173 62.334 62.100 0.102 0.000 4.077 203 T CB -1.089 67.812 68.868 0.055 0.000 2.303 203 T HN 1.050 nan 8.240 nan 0.000 0.398 204 V N 0.860 120.819 119.914 0.074 0.000 3.165 204 V HA 1.066 5.186 4.120 0.000 0.000 0.307 204 V C 0.097 176.226 176.094 0.059 0.000 1.281 204 V CA 0.103 62.439 62.300 0.059 0.000 1.056 204 V CB 1.628 33.485 31.823 0.057 0.000 1.178 204 V HN 1.711 nan 8.190 nan 0.000 0.475 205 E N -0.472 119.758 120.200 0.049 0.000 5.961 205 E HA 0.053 4.403 4.350 0.000 0.000 0.549 205 E C -1.251 175.345 176.600 -0.007 0.000 1.277 205 E CA -0.297 56.132 56.400 0.048 0.000 3.012 205 E CB -0.139 29.579 29.700 0.031 0.000 0.791 205 E HN 0.569 nan 8.360 nan 0.000 0.266 206 K N 1.058 121.442 120.400 -0.027 0.000 2.774 206 K HA 0.409 4.729 4.320 0.000 0.000 0.297 206 K C 0.034 176.597 176.600 -0.063 0.000 1.044 206 K CA 0.054 56.319 56.287 -0.037 0.000 1.011 206 K CB -0.153 32.328 32.500 -0.032 0.000 1.214 206 K HN 0.499 nan 8.250 nan 0.000 0.477 207 L N 2.357 123.546 121.223 -0.057 0.000 3.027 207 L HA -0.130 4.210 4.340 0.000 0.000 0.300 207 L C 0.585 177.400 176.870 -0.092 0.000 0.991 207 L CA 0.205 55.007 54.840 -0.063 0.000 1.110 207 L CB -1.323 40.704 42.059 -0.053 0.000 1.587 207 L HN 0.695 nan 8.230 nan 0.000 0.419 208 T N -1.675 112.820 114.554 -0.097 0.000 3.043 208 T HA 0.446 4.796 4.350 0.000 0.000 0.272 208 T C 0.668 175.291 174.700 -0.128 0.000 0.990 208 T CA 0.152 62.179 62.100 -0.122 0.000 0.897 208 T CB 1.092 69.880 68.868 -0.133 0.000 1.111 208 T HN 0.706 nan 8.240 nan 0.000 0.529 209 G N 0.832 109.551 108.800 -0.134 0.000 2.616 209 G HA2 0.541 4.501 3.960 0.000 0.000 0.294 209 G HA3 0.541 4.501 3.960 0.000 0.000 0.294 209 G C -1.389 173.380 174.900 -0.217 0.000 1.489 209 G CA -0.257 44.744 45.100 -0.166 0.000 0.836 209 G HN 0.851 nan 8.290 nan 0.000 0.527 210 S N -0.804 114.762 115.700 -0.224 0.000 2.678 210 S HA 0.885 5.355 4.470 0.000 0.000 0.290 210 S C -0.101 174.425 174.600 -0.124 0.000 1.047 210 S CA 0.146 58.189 58.200 -0.262 0.000 0.851 210 S CB 1.329 64.434 63.200 -0.157 0.000 1.058 210 S HN 2.446 nan 8.310 nan 0.000 0.451 211 G N 0.873 109.665 108.800 -0.012 0.000 2.694 211 G HA2 0.818 4.778 3.960 0.000 0.000 0.246 211 G HA3 0.818 4.778 3.960 0.000 0.000 0.246 211 G C -1.619 173.518 174.900 0.394 0.000 1.205 211 G CA -0.047 45.158 45.100 0.176 0.000 0.891 211 G HN 1.432 nan 8.290 nan 0.000 0.515 212 E N -1.863 118.541 120.200 0.339 0.000 2.422 212 E HA 0.543 4.893 4.350 0.000 0.000 0.280 212 E C -2.078 174.630 176.600 0.180 0.000 1.091 212 E CA -0.947 55.569 56.400 0.193 0.000 0.849 212 E CB 1.708 31.418 29.700 0.017 0.000 1.353 212 E HN 0.814 nan 8.360 nan 0.000 0.449 213 L N 0.985 122.256 121.223 0.080 0.000 2.317 213 L HA 0.665 5.005 4.340 0.000 0.000 0.281 213 L C -1.720 175.378 176.870 0.380 0.000 1.024 213 L CA -0.130 54.798 54.840 0.148 0.000 0.810 213 L CB 0.783 42.822 42.059 -0.033 0.000 1.240 213 L HN 0.590 nan 8.230 nan 0.000 0.427 214 W N 4.752 126.103 121.300 0.084 0.000 2.666 214 W HA 0.507 5.167 4.660 0.000 0.000 0.334 214 W C -0.917 175.744 176.519 0.237 0.000 1.051 214 W CA -0.769 56.787 57.345 0.352 0.000 1.224 214 W CB 1.143 30.762 29.460 0.265 0.000 1.405 214 W HN 0.429 nan 8.180 nan 0.000 0.513 215 W N 3.224 124.710 121.300 0.311 0.000 2.883 215 W HA 0.417 5.077 4.660 0.000 0.000 0.335 215 W C -1.092 175.469 176.519 0.071 0.000 1.083 215 W CA -1.270 56.147 57.345 0.120 0.000 1.233 215 W CB 2.015 31.490 29.460 0.025 0.000 1.412 215 W HN 0.447 nan 8.180 nan 0.000 0.490 216 Q N 4.130 124.105 119.800 0.290 0.000 2.506 216 Q HA 0.577 4.917 4.340 0.000 0.000 0.242 216 Q C 0.222 176.496 176.000 0.456 0.000 1.060 216 Q CA -0.561 55.407 55.803 0.274 0.000 0.826 216 Q CB 1.319 30.124 28.738 0.111 0.000 1.169 216 Q HN 0.365 nan 8.270 nan 0.000 0.521 217 A N 2.285 125.367 122.820 0.436 0.000 2.445 217 A HA 0.066 4.386 4.320 0.000 0.000 0.242 217 A C 0.108 177.797 177.584 0.176 0.000 1.075 217 A CA -0.307 51.884 52.037 0.257 0.000 0.777 217 A CB 0.318 19.279 19.000 -0.066 0.000 1.013 217 A HN 0.770 nan 8.150 nan 0.000 0.493 218 E N 0.884 121.191 120.200 0.180 0.000 2.366 218 E HA 0.237 4.587 4.350 0.000 0.000 0.266 218 E C 0.622 177.282 176.600 0.100 0.000 1.015 218 E CA 0.153 56.650 56.400 0.162 0.000 0.906 218 E CB 0.076 29.913 29.700 0.228 0.000 0.979 218 E HN 0.713 nan 8.360 nan 0.000 0.443 219 R N 2.029 122.587 120.500 0.096 0.000 2.299 219 R HA -0.286 4.054 4.340 0.000 0.000 0.153 219 R C 0.420 176.735 176.300 0.024 0.000 0.885 219 R CA 1.718 57.858 56.100 0.066 0.000 1.883 219 R CB -1.855 28.494 30.300 0.082 0.000 0.864 219 R HN 0.575 nan 8.270 nan 0.000 0.666 220 A N 1.070 123.885 122.820 -0.009 0.000 3.017 220 A HA 0.223 4.543 4.320 0.000 0.000 0.283 220 A C 1.182 178.746 177.584 -0.033 0.000 1.892 220 A CA 0.986 52.993 52.037 -0.050 0.000 1.469 220 A CB -0.041 18.891 19.000 -0.112 0.000 0.999 220 A HN 0.372 nan 8.150 nan 0.000 0.605 221 S N 1.321 117.012 115.700 -0.016 0.000 2.493 221 S HA -0.085 4.385 4.470 0.000 0.000 0.243 221 S C 1.283 175.860 174.600 -0.039 0.000 0.991 221 S CA 1.007 59.203 58.200 -0.006 0.000 0.957 221 S CB -0.421 62.779 63.200 0.000 0.000 0.756 221 S HN 0.755 nan 8.310 nan 0.000 0.521 222 S N 2.256 117.912 115.700 -0.072 0.000 3.772 222 S HA 0.105 4.575 4.470 0.000 0.000 0.191 222 S C 0.492 174.993 174.600 -0.165 0.000 1.060 222 S CA -0.259 57.870 58.200 -0.118 0.000 1.051 222 S CB -0.269 62.851 63.200 -0.134 0.000 1.578 222 S HN 0.308 nan 8.310 nan 0.000 0.481 223 S N 1.380 116.988 115.700 -0.154 0.000 2.598 223 S HA 0.421 4.891 4.470 0.000 0.000 0.267 223 S C 0.982 175.286 174.600 -0.494 0.000 1.189 223 S CA -0.774 57.291 58.200 -0.225 0.000 1.010 223 S CB 0.274 63.432 63.200 -0.071 0.000 1.084 223 S HN 0.667 nan 8.310 nan 0.000 0.541 224 K N -0.772 119.076 120.400 -0.920 0.000 3.512 224 K HA -0.118 4.202 4.320 0.000 0.000 0.309 224 K C -0.617 174.578 176.600 -2.343 0.000 1.350 224 K CA 0.644 55.801 56.287 -1.883 0.000 0.960 224 K CB -1.941 30.130 32.500 -0.714 0.000 1.290 224 K HN 0.511 nan 8.250 nan 0.000 0.454 225 S N 0.564 115.425 115.700 -1.398 0.000 2.523 225 S HA 0.580 5.050 4.470 0.000 0.000 0.275 225 S C -0.205 173.991 174.600 -0.674 0.000 1.281 225 S CA -0.208 57.477 58.200 -0.859 0.000 1.050 225 S CB 0.266 63.214 63.200 -0.419 0.000 0.937 225 S HN 0.383 nan 8.310 nan 0.000 0.492 226 W N 0.641 121.853 121.300 -0.147 0.000 2.733 226 W HA 0.721 5.381 4.660 0.000 0.000 0.441 226 W C -1.645 174.812 176.519 -0.104 0.000 1.036 226 W CA -1.201 56.055 57.345 -0.148 0.000 1.208 226 W CB 0.521 29.782 29.460 -0.331 0.000 1.454 226 W HN 0.621 nan 8.180 nan 0.000 0.610 227 I N 1.403 122.103 120.570 0.217 0.000 2.644 227 I HA 0.659 4.829 4.170 0.000 0.000 0.291 227 I C -1.207 174.935 176.117 0.042 0.000 1.180 227 I CA -0.534 60.824 61.300 0.097 0.000 1.040 227 I CB 2.163 40.191 38.000 0.046 0.000 1.255 227 I HN 0.514 nan 8.210 nan 0.000 0.422 228 T N 6.515 121.113 114.554 0.073 0.000 2.829 228 T HA 0.690 5.040 4.350 0.000 0.000 0.280 228 T C -0.762 174.096 174.700 0.264 0.000 0.999 228 T CA -0.462 61.712 62.100 0.124 0.000 0.983 228 T CB 1.318 70.224 68.868 0.062 0.000 0.968 228 T HN 0.409 nan 8.240 nan 0.000 0.446 229 F N -0.249 119.714 119.950 0.023 0.000 2.578 229 F HA 0.848 5.375 4.527 0.000 0.000 0.311 229 F C -1.345 174.466 175.800 0.019 0.000 1.094 229 F CA -2.318 55.701 58.000 0.031 0.000 0.923 229 F CB 1.004 40.037 39.000 0.055 0.000 1.230 229 F HN 0.450 nan 8.300 nan 0.000 0.450 230 D N 2.180 122.553 120.400 -0.045 0.000 2.248 230 D HA 0.736 5.376 4.640 0.000 0.000 0.246 230 D C -1.466 174.715 176.300 -0.198 0.000 1.027 230 D CA -0.139 53.768 54.000 -0.155 0.000 0.853 230 D CB 1.883 42.650 40.800 -0.055 0.000 1.243 230 D HN 0.592 nan 8.370 nan 0.000 0.462 231 L N 2.382 123.460 121.223 -0.242 0.000 2.354 231 L HA 0.634 4.974 4.340 0.000 0.000 0.264 231 L C -0.983 175.814 176.870 -0.121 0.000 1.008 231 L CA -0.594 54.132 54.840 -0.190 0.000 0.819 231 L CB 2.013 43.912 42.059 -0.267 0.000 1.339 231 L HN 0.332 nan 8.230 nan 0.000 0.420 232 K N 1.775 122.128 120.400 -0.079 0.000 2.587 232 K HA 0.423 4.743 4.320 0.000 0.000 0.256 232 K C -0.542 176.038 176.600 -0.033 0.000 0.974 232 K CA -0.861 55.394 56.287 -0.055 0.000 0.855 232 K CB 1.675 34.152 32.500 -0.038 0.000 1.292 232 K HN 0.775 nan 8.250 nan 0.000 0.444 233 N N 1.020 119.705 118.700 -0.026 0.000 1.352 233 N HA -0.332 4.408 4.740 0.000 0.000 0.096 233 N C -0.959 174.551 175.510 -0.001 0.000 0.792 233 N CA 0.989 54.039 53.050 -0.001 0.000 0.831 233 N CB -0.241 38.255 38.487 0.016 0.000 0.865 233 N HN 0.591 nan 8.380 nan 0.000 0.716 234 K N 1.177 121.592 120.400 0.025 0.000 2.715 234 K HA 0.140 4.460 4.320 0.000 0.000 0.248 234 K C -0.596 176.017 176.600 0.021 0.000 1.276 234 K CA 0.513 56.815 56.287 0.024 0.000 1.209 234 K CB -0.799 31.740 32.500 0.064 0.000 1.509 234 K HN 0.408 nan 8.250 nan 0.000 0.261 235 E N 0.347 120.550 120.200 0.006 0.000 2.291 235 E HA 0.280 4.630 4.350 0.000 0.000 0.276 235 E C -1.460 175.140 176.600 0.000 0.000 0.896 235 E CA -0.569 55.839 56.400 0.012 0.000 0.774 235 E CB 2.058 31.763 29.700 0.009 0.000 1.227 235 E HN -0.029 nan 8.360 nan 0.000 0.413 236 V N 1.368 121.299 119.914 0.028 0.000 2.962 236 V HA 0.812 4.932 4.120 0.000 0.000 0.313 236 V C -0.861 175.280 176.094 0.079 0.000 1.099 236 V CA -0.838 61.489 62.300 0.046 0.000 0.971 236 V CB 2.185 34.080 31.823 0.120 0.000 1.028 236 V HN 0.766 nan 8.190 nan 0.000 0.430 237 S N 0.446 116.208 115.700 0.104 0.000 2.556 237 S HA 0.444 4.914 4.470 0.000 0.000 0.280 237 S C -0.903 173.790 174.600 0.156 0.000 1.141 237 S CA -0.641 57.625 58.200 0.110 0.000 0.883 237 S CB 1.390 64.627 63.200 0.062 0.000 1.103 237 S HN 1.471 nan 8.310 nan 0.000 0.453 238 V N 1.933 121.940 119.914 0.154 0.000 2.479 238 V HA 0.592 4.712 4.120 0.000 0.000 0.281 238 V C 1.251 177.415 176.094 0.117 0.000 1.031 238 V CA 1.107 63.506 62.300 0.164 0.000 1.038 238 V CB 0.139 32.035 31.823 0.121 0.000 0.981 238 V HN 1.247 nan 8.190 nan 0.000 0.478 239 K N 4.172 124.647 120.400 0.125 0.000 2.009 239 K HA 0.318 4.638 4.320 0.000 0.000 0.210 239 K C 1.238 177.876 176.600 0.063 0.000 1.049 239 K CA 2.883 59.216 56.287 0.078 0.000 0.929 239 K CB -0.709 31.835 32.500 0.073 0.000 0.714 239 K HN 1.956 nan 8.250 nan 0.000 0.440 240 R N -3.805 116.738 120.500 0.072 0.000 3.135 240 R HA 0.522 4.862 4.340 0.000 0.000 0.276 240 R C 0.126 176.467 176.300 0.068 0.000 0.925 240 R CA 0.032 56.167 56.100 0.058 0.000 0.809 240 R CB -0.798 29.528 30.300 0.044 0.000 1.511 240 R HN 1.406 nan 8.270 nan 0.000 0.486 241 V N -1.427 118.525 119.914 0.062 0.000 3.659 241 V HA 0.099 4.219 4.120 0.000 0.000 0.522 241 V C 1.147 177.282 176.094 0.067 0.000 0.682 241 V CA 1.442 63.789 62.300 0.077 0.000 2.079 241 V CB -1.575 30.327 31.823 0.132 0.000 2.491 241 V HN 2.531 nan 8.190 nan 0.000 0.514 242 T N -2.281 112.308 114.554 0.060 0.000 8.941 242 T HA -0.064 4.286 4.350 0.000 0.000 0.275 242 T C 0.048 174.751 174.700 0.005 0.000 1.337 242 T CA 1.081 63.207 62.100 0.043 0.000 1.946 242 T CB -0.783 68.109 68.868 0.041 0.000 2.019 242 T HN 1.851 nan 8.240 nan 0.000 0.186 243 Q N 1.171 120.970 119.800 -0.001 0.000 0.766 243 Q HA -0.313 4.027 4.340 0.000 0.000 0.364 243 Q C 0.273 176.246 176.000 -0.044 0.000 1.063 243 Q CA 2.224 58.011 55.803 -0.026 0.000 0.399 243 Q CB -0.889 27.821 28.738 -0.047 0.000 5.348 243 Q HN 0.859 nan 8.270 nan 0.000 0.398 244 D N -0.958 119.399 120.400 -0.072 0.000 4.072 244 D HA -0.206 4.434 4.640 0.000 0.000 0.146 244 D C -2.002 174.277 176.300 -0.036 0.000 0.777 244 D CA 2.210 56.147 54.000 -0.105 0.000 1.099 244 D CB -1.796 38.896 40.800 -0.180 0.000 0.497 244 D HN 0.595 nan 8.370 nan 0.000 0.483 245 P HA 0.264 nan 4.420 nan 0.000 0.279 245 P C -0.434 176.908 177.300 0.070 0.000 1.276 245 P CA -0.267 62.920 63.100 0.145 0.000 0.801 245 P CB 0.531 32.488 31.700 0.429 0.000 1.127 246 K N 0.566 120.999 120.400 0.055 0.000 3.165 246 K HA 0.163 4.483 4.320 0.000 0.000 0.270 246 K C -0.008 176.616 176.600 0.040 0.000 1.111 246 K CA -0.048 56.257 56.287 0.030 0.000 1.216 246 K CB -1.847 30.657 32.500 0.007 0.000 1.229 246 K HN 0.314 nan 8.250 nan 0.000 0.435 247 L N 1.273 122.534 121.223 0.062 0.000 2.584 247 L HA 0.043 4.383 4.340 0.000 0.000 0.272 247 L C 0.415 177.330 176.870 0.075 0.000 1.195 247 L CA 0.411 55.301 54.840 0.085 0.000 0.920 247 L CB -0.066 42.059 42.059 0.110 0.000 1.173 247 L HN 0.262 nan 8.230 nan 0.000 0.489 248 Q N 3.184 123.030 119.800 0.077 0.000 2.266 248 Q HA 0.660 5.000 4.340 0.000 0.000 0.261 248 Q C -0.776 175.281 176.000 0.096 0.000 0.985 248 Q CA -0.660 55.187 55.803 0.073 0.000 0.873 248 Q CB 2.980 31.750 28.738 0.054 0.000 1.306 248 Q HN 0.617 nan 8.270 nan 0.000 0.447 249 M N 0.135 119.792 119.600 0.096 0.000 2.644 249 M HA 0.599 5.079 4.480 0.000 0.000 0.304 249 M C -0.386 175.988 176.300 0.124 0.000 1.215 249 M CA -0.497 54.874 55.300 0.117 0.000 0.871 249 M CB 1.882 34.550 32.600 0.114 0.000 1.740 249 M HN 0.715 nan 8.290 nan 0.000 0.464 250 G N 1.307 110.195 108.800 0.146 0.000 2.537 250 G HA2 0.271 4.231 3.960 0.000 0.000 0.273 250 G HA3 0.271 4.231 3.960 0.000 0.000 0.273 250 G C -0.101 174.873 174.900 0.122 0.000 1.189 250 G CA -0.390 44.796 45.100 0.142 0.000 0.881 250 G HN 0.880 nan 8.290 nan 0.000 0.535 251 K N -0.724 119.737 120.400 0.102 0.000 2.356 251 K HA 0.083 4.404 4.320 0.000 0.000 0.195 251 K C 0.441 177.085 176.600 0.074 0.000 1.037 251 K CA 0.504 56.840 56.287 0.082 0.000 1.014 251 K CB 0.134 32.674 32.500 0.066 0.000 0.815 251 K HN 0.318 nan 8.250 nan 0.000 0.507 252 K N 1.246 121.694 120.400 0.081 0.000 2.182 252 K HA 0.208 4.528 4.320 0.000 0.000 0.262 252 K C 0.792 177.408 176.600 0.027 0.000 0.957 252 K CA -0.402 55.921 56.287 0.060 0.000 0.842 252 K CB 1.679 34.225 32.500 0.077 0.000 1.099 252 K HN -0.146 nan 8.250 nan 0.000 0.438 253 L N 1.861 123.081 121.223 -0.005 0.000 2.198 253 L HA -0.195 4.145 4.340 0.000 0.000 0.218 253 L C -0.925 175.889 176.870 -0.092 0.000 1.084 253 L CA 1.864 56.670 54.840 -0.056 0.000 0.779 253 L CB -1.135 40.849 42.059 -0.124 0.000 0.890 253 L HN 0.538 nan 8.230 nan 0.000 0.439 254 P HA 0.135 nan 4.420 nan 0.000 0.235 254 P C -0.324 176.729 177.300 -0.412 0.000 1.725 254 P CA -0.420 62.559 63.100 -0.201 0.000 0.894 254 P CB -0.104 31.514 31.700 -0.137 0.000 1.704 255 L N 0.604 121.706 121.223 -0.202 0.000 4.422 255 L HA -0.231 4.109 4.340 0.000 0.000 0.545 255 L C 0.241 176.831 176.870 -0.466 0.000 1.042 255 L CA 1.590 56.340 54.840 -0.151 0.000 0.533 255 L CB -1.245 40.931 42.059 0.195 0.000 0.674 255 L HN 0.432 nan 8.230 nan 0.000 1.072 256 H N 2.906 121.982 119.070 0.010 0.000 2.953 256 H HA 0.370 4.926 4.556 0.000 0.000 0.290 256 H C -0.217 175.130 175.328 0.031 0.000 1.113 256 H CA -0.805 55.217 56.048 -0.043 0.000 1.454 256 H CB 1.102 30.853 29.762 -0.018 0.000 1.525 256 H HN 0.466 nan 8.280 nan 0.000 0.505 257 L N 4.367 125.679 121.223 0.148 0.000 2.485 257 L HA 0.139 4.479 4.340 0.000 0.000 0.279 257 L C 0.028 177.128 176.870 0.385 0.000 1.124 257 L CA 0.183 55.199 54.840 0.294 0.000 0.888 257 L CB -0.161 42.132 42.059 0.390 0.000 1.217 257 L HN 0.661 nan 8.230 nan 0.000 0.464 258 T N 2.804 117.497 114.554 0.231 0.000 2.837 258 T HA 0.450 4.800 4.350 0.000 0.000 0.285 258 T C -0.285 174.494 174.700 0.131 0.000 0.984 258 T CA -0.715 61.466 62.100 0.134 0.000 1.049 258 T CB 2.049 70.955 68.868 0.062 0.000 0.947 258 T HN 0.528 nan 8.240 nan 0.000 0.472 259 L N 5.294 126.546 121.223 0.048 0.000 2.324 259 L HA 0.379 4.719 4.340 0.000 0.000 0.274 259 L C -1.920 174.905 176.870 -0.075 0.000 1.012 259 L CA -2.400 52.451 54.840 0.019 0.000 0.859 259 L CB 1.895 43.969 42.059 0.026 0.000 1.224 259 L HN 0.493 nan 8.230 nan 0.000 0.429 260 P HA -0.198 nan 4.420 nan 0.000 0.212 260 P C -0.844 176.373 177.300 -0.138 0.000 0.907 260 P CA 1.260 64.305 63.100 -0.092 0.000 0.993 260 P CB 0.138 31.790 31.700 -0.080 0.000 0.646 261 Q N -0.523 119.164 119.800 -0.188 0.000 2.271 261 Q HA 0.603 4.943 4.340 0.000 0.000 0.258 261 Q C -0.699 175.128 176.000 -0.289 0.000 0.936 261 Q CA -1.028 54.657 55.803 -0.195 0.000 0.909 261 Q CB 1.219 29.858 28.738 -0.166 0.000 1.253 261 Q HN 0.079 nan 8.270 nan 0.000 0.440 262 A N 5.536 128.234 122.820 -0.203 0.000 2.993 262 A HA 0.195 4.515 4.320 0.000 0.000 0.281 262 A C 0.078 177.545 177.584 -0.196 0.000 1.847 262 A CA -0.264 51.660 52.037 -0.189 0.000 1.470 262 A CB -0.812 18.143 19.000 -0.074 0.000 1.028 262 A HN 0.732 nan 8.150 nan 0.000 0.604 263 L N 2.090 123.080 121.223 -0.390 0.000 2.436 263 L HA 0.184 4.524 4.340 0.000 0.000 0.265 263 L C -1.291 175.541 176.870 -0.063 0.000 1.168 263 L CA -1.911 52.783 54.840 -0.244 0.000 0.815 263 L CB 0.635 42.493 42.059 -0.335 0.000 1.109 263 L HN 0.308 nan 8.230 nan 0.000 0.462 264 P HA -0.216 nan 4.420 nan 0.000 0.216 264 P C 1.154 178.289 177.300 -0.275 0.000 1.150 264 P CA 1.031 64.001 63.100 -0.217 0.000 0.843 264 P CB 0.047 31.477 31.700 -0.450 0.000 0.787 265 Q N -1.510 118.211 119.800 -0.132 0.000 2.436 265 Q HA -0.131 4.209 4.340 0.000 0.000 0.209 265 Q C 0.409 176.286 176.000 -0.204 0.000 0.965 265 Q CA 1.258 56.932 55.803 -0.214 0.000 0.910 265 Q CB -0.992 27.587 28.738 -0.264 0.000 0.980 265 Q HN 0.346 nan 8.270 nan 0.000 0.491 266 Y N 1.391 121.553 120.300 -0.231 0.000 2.676 266 Y HA 0.517 5.067 4.550 0.000 0.000 0.331 266 Y C 0.630 176.449 175.900 -0.135 0.000 1.128 266 Y CA -0.568 57.342 58.100 -0.316 0.000 1.360 266 Y CB -0.232 38.050 38.460 -0.296 0.000 1.176 266 Y HN 0.145 nan 8.280 nan 0.000 0.518 267 A N -0.092 122.832 122.820 0.174 0.000 2.317 267 A HA 0.899 5.219 4.320 0.000 0.000 0.327 267 A C 0.572 178.467 177.584 0.519 0.000 1.178 267 A CA 0.196 52.466 52.037 0.388 0.000 0.817 267 A CB 0.724 19.927 19.000 0.340 0.000 1.189 267 A HN 0.487 nan 8.150 nan 0.000 0.489 268 G N 0.115 109.299 108.800 0.641 0.000 2.345 268 G HA2 0.450 4.410 3.960 0.000 0.000 0.285 268 G HA3 0.450 4.410 3.960 0.000 0.000 0.285 268 G C -0.447 174.453 174.900 -0.001 0.000 1.297 268 G CA -0.053 45.307 45.100 0.434 0.000 0.875 268 G HN 1.065 nan 8.290 nan 0.000 0.506 269 S N -1.400 114.155 115.700 -0.243 0.000 2.713 269 S HA 0.906 5.376 4.470 0.000 0.000 0.277 269 S C 0.379 174.429 174.600 -0.917 0.000 1.168 269 S CA 0.192 58.112 58.200 -0.467 0.000 0.994 269 S CB 1.411 64.479 63.200 -0.221 0.000 1.054 269 S HN 2.059 nan 8.310 nan 0.000 0.555 270 G N 0.549 108.957 108.800 -0.655 0.000 2.596 270 G HA2 0.481 4.441 3.960 0.000 0.000 0.296 270 G HA3 0.481 4.441 3.960 0.000 0.000 0.296 270 G C -2.294 172.393 174.900 -0.355 0.000 1.513 270 G CA -0.954 43.801 45.100 -0.575 0.000 0.851 270 G HN 0.495 nan 8.290 nan 0.000 0.548 271 N N -0.084 118.493 118.700 -0.206 0.000 2.354 271 N HA 0.541 5.281 4.740 0.000 0.000 0.287 271 N C -0.988 174.398 175.510 -0.207 0.000 1.016 271 N CA -0.529 52.393 53.050 -0.212 0.000 0.871 271 N CB 2.573 40.950 38.487 -0.183 0.000 1.299 271 N HN 0.499 nan 8.380 nan 0.000 0.482 272 L N 2.117 123.127 121.223 -0.356 0.000 2.272 272 L HA 0.485 4.825 4.340 0.000 0.000 0.284 272 L C -0.660 176.045 176.870 -0.276 0.000 1.045 272 L CA -0.211 54.386 54.840 -0.404 0.000 0.842 272 L CB 0.267 41.787 42.059 -0.898 0.000 1.224 272 L HN 0.548 nan 8.230 nan 0.000 0.430 273 T N 4.727 119.202 114.554 -0.131 0.000 2.744 273 T HA 0.508 4.858 4.350 0.000 0.000 0.291 273 T C -0.379 174.331 174.700 0.017 0.000 0.957 273 T CA -0.399 61.607 62.100 -0.156 0.000 1.002 273 T CB 1.342 70.056 68.868 -0.258 0.000 0.919 273 T HN 0.361 nan 8.240 nan 0.000 0.468 274 L N 2.697 123.954 121.223 0.057 0.000 2.334 274 L HA 0.789 5.129 4.340 0.000 0.000 0.276 274 L C -0.627 176.207 176.870 -0.060 0.000 1.014 274 L CA -0.394 54.505 54.840 0.099 0.000 0.815 274 L CB 1.448 43.640 42.059 0.221 0.000 1.268 274 L HN 0.895 nan 8.230 nan 0.000 0.428 275 A N 5.928 128.701 122.820 -0.078 0.000 2.497 275 A HA 0.634 4.954 4.320 0.000 0.000 0.280 275 A C -1.001 176.521 177.584 -0.105 0.000 1.065 275 A CA -0.627 51.351 52.037 -0.098 0.000 0.781 275 A CB 0.555 19.500 19.000 -0.091 0.000 1.289 275 A HN 0.675 nan 8.150 nan 0.000 0.415 276 L N 0.322 121.480 121.223 -0.108 0.000 2.777 276 L HA 0.977 5.317 4.340 0.000 0.000 0.241 276 L C 0.217 177.022 176.870 -0.109 0.000 1.854 276 L CA -0.764 54.005 54.840 -0.117 0.000 2.070 276 L CB 0.511 42.494 42.059 -0.126 0.000 2.441 276 L HN 0.907 nan 8.230 nan 0.000 0.587 277 E N -1.750 118.369 120.200 -0.136 0.000 1.894 277 E HA 0.607 4.957 4.350 0.000 0.000 0.215 277 E C -0.435 175.988 176.600 -0.295 0.000 1.642 277 E CA -0.204 56.105 56.400 -0.151 0.000 1.032 277 E CB 1.125 30.747 29.700 -0.130 0.000 1.625 277 E HN 0.905 nan 8.360 nan 0.000 0.591 278 A N -0.222 122.442 122.820 -0.260 0.000 3.259 278 A HA 0.008 4.328 4.320 0.000 0.000 0.196 278 A C 0.129 177.683 177.584 -0.051 0.000 0.701 278 A CA 0.456 52.308 52.037 -0.307 0.000 2.223 278 A CB -0.851 17.478 19.000 -1.119 0.000 0.604 278 A HN 0.270 nan 8.150 nan 0.000 0.576 279 K N 1.831 122.221 120.400 -0.017 0.000 3.098 279 K HA 0.321 4.641 4.320 0.000 0.000 0.204 279 K C 0.304 176.905 176.600 0.001 0.000 1.210 279 K CA 0.611 56.907 56.287 0.016 0.000 0.899 279 K CB 0.844 33.379 32.500 0.058 0.000 1.176 279 K HN 0.928 nan 8.250 nan 0.000 0.585 280 T N -1.260 113.277 114.554 -0.029 0.000 2.484 280 T HA 0.156 4.506 4.350 0.000 0.000 0.407 280 T C 0.717 175.404 174.700 -0.022 0.000 1.049 280 T CA 0.730 62.807 62.100 -0.038 0.000 1.080 280 T CB 0.360 69.203 68.868 -0.042 0.000 1.041 280 T HN 0.650 nan 8.240 nan 0.000 0.546 281 G N -0.555 108.226 108.800 -0.031 0.000 2.336 281 G HA2 0.460 4.420 3.960 0.000 0.000 0.300 281 G HA3 0.460 4.420 3.960 0.000 0.000 0.300 281 G C -1.959 172.912 174.900 -0.048 0.000 1.375 281 G CA -0.614 44.473 45.100 -0.022 0.000 0.885 281 G HN 0.916 nan 8.290 nan 0.000 0.599 282 K N 0.776 121.147 120.400 -0.048 0.000 2.541 282 K HA 0.567 4.887 4.320 0.000 0.000 0.250 282 K C -0.585 175.888 176.600 -0.212 0.000 0.950 282 K CA -0.771 55.428 56.287 -0.147 0.000 0.805 282 K CB 2.484 34.865 32.500 -0.199 0.000 1.166 282 K HN 0.492 nan 8.250 nan 0.000 0.430 283 L N 2.747 123.862 121.223 -0.180 0.000 2.439 283 L HA 0.386 4.726 4.340 0.000 0.000 0.261 283 L C -0.275 176.473 176.870 -0.204 0.000 1.153 283 L CA -0.487 54.337 54.840 -0.026 0.000 0.808 283 L CB 0.135 42.215 42.059 0.034 0.000 1.126 283 L HN 0.614 nan 8.230 nan 0.000 0.460 284 H N 0.023 119.196 119.070 0.170 0.000 2.961 284 H HA 0.624 5.180 4.556 0.000 0.000 0.371 284 H C -1.194 174.110 175.328 -0.040 0.000 1.190 284 H CA -0.953 55.101 56.048 0.011 0.000 1.138 284 H CB 1.859 31.580 29.762 -0.069 0.000 1.816 284 H HN 0.449 nan 8.280 nan 0.000 0.551 285 Q N 0.255 119.959 119.800 -0.159 0.000 2.430 285 Q HA 0.303 4.643 4.340 0.000 0.000 0.253 285 Q C -1.457 174.338 176.000 -0.341 0.000 0.945 285 Q CA -0.920 54.708 55.803 -0.292 0.000 0.964 285 Q CB 1.738 30.112 28.738 -0.605 0.000 1.460 285 Q HN 0.630 nan 8.270 nan 0.000 0.428 286 E N 1.647 121.715 120.200 -0.221 0.000 2.390 286 E HA 0.578 4.928 4.350 0.000 0.000 0.261 286 E C -1.238 175.218 176.600 -0.239 0.000 1.076 286 E CA -0.478 55.790 56.400 -0.221 0.000 0.905 286 E CB 1.164 30.775 29.700 -0.147 0.000 0.984 286 E HN 0.496 nan 8.360 nan 0.000 0.427 287 V N 4.493 124.226 119.914 -0.300 0.000 2.888 287 V HA 0.473 4.593 4.120 0.000 0.000 0.309 287 V C -0.926 174.934 176.094 -0.390 0.000 1.114 287 V CA -0.889 61.228 62.300 -0.305 0.000 0.940 287 V CB 2.214 33.768 31.823 -0.448 0.000 1.021 287 V HN 0.836 nan 8.190 nan 0.000 0.426 288 N N 3.436 122.011 118.700 -0.209 0.000 2.308 288 N HA 0.631 5.371 4.740 0.000 0.000 0.283 288 N C -1.906 173.688 175.510 0.140 0.000 1.105 288 N CA -0.558 52.408 53.050 -0.139 0.000 0.840 288 N CB 3.133 41.568 38.487 -0.088 0.000 1.633 288 N HN 0.450 nan 8.380 nan 0.000 0.476 289 L N 1.568 122.980 121.223 0.315 0.000 2.436 289 L HA 0.579 4.919 4.340 0.000 0.000 0.268 289 L C -1.396 175.688 176.870 0.357 0.000 0.974 289 L CA -0.644 54.467 54.840 0.452 0.000 0.826 289 L CB 1.887 44.426 42.059 0.801 0.000 1.291 289 L HN 0.322 nan 8.230 nan 0.000 0.406 290 V N 4.866 124.941 119.914 0.268 0.000 2.715 290 V HA 0.791 4.911 4.120 0.000 0.000 0.310 290 V C -0.595 175.675 176.094 0.293 0.000 1.054 290 V CA -0.730 61.752 62.300 0.303 0.000 0.928 290 V CB 2.019 34.063 31.823 0.369 0.000 1.007 290 V HN 0.531 nan 8.190 nan 0.000 0.437 291 V N 4.055 124.162 119.914 0.322 0.000 2.876 291 V HA 0.583 4.703 4.120 0.000 0.000 0.312 291 V C -0.450 175.836 176.094 0.321 0.000 1.085 291 V CA -0.539 61.937 62.300 0.293 0.000 0.945 291 V CB 2.019 34.005 31.823 0.272 0.000 1.017 291 V HN 0.914 nan 8.190 nan 0.000 0.428 292 M N 3.742 123.483 119.600 0.234 0.000 2.321 292 M HA 0.828 5.308 4.480 0.000 0.000 0.315 292 M C -0.437 175.971 176.300 0.180 0.000 1.052 292 M CA -0.556 54.854 55.300 0.182 0.000 0.936 292 M CB 1.774 34.444 32.600 0.116 0.000 1.639 292 M HN 0.812 nan 8.290 nan 0.000 0.433 293 R N 3.335 123.945 120.500 0.183 0.000 2.407 293 R HA 0.790 5.130 4.340 0.000 0.000 0.298 293 R C -0.969 175.397 176.300 0.110 0.000 1.166 293 R CA -0.068 56.132 56.100 0.167 0.000 1.006 293 R CB 0.811 31.266 30.300 0.259 0.000 1.145 293 R HN 0.885 nan 8.270 nan 0.000 0.538 294 A N 1.704 124.573 122.820 0.081 0.000 2.316 294 A HA 0.650 4.970 4.320 0.000 0.000 0.311 294 A C -0.115 177.494 177.584 0.042 0.000 1.339 294 A CA -0.203 51.870 52.037 0.059 0.000 0.960 294 A CB 0.379 19.417 19.000 0.062 0.000 1.152 294 A HN 0.614 nan 8.150 nan 0.000 0.547 295 T N 2.559 117.131 114.554 0.031 0.000 3.143 295 T HA 0.206 4.556 4.350 0.000 0.000 0.312 295 T C -0.536 174.156 174.700 -0.012 0.000 0.986 295 T CA -0.378 61.731 62.100 0.014 0.000 1.024 295 T CB 1.068 69.957 68.868 0.034 0.000 1.030 295 T HN 0.790 nan 8.240 nan 0.000 0.448 296 Q N 4.649 124.422 119.800 -0.045 0.000 2.297 296 Q HA 0.252 4.592 4.340 0.000 0.000 0.267 296 Q C 0.766 176.742 176.000 -0.041 0.000 1.006 296 Q CA -0.232 55.526 55.803 -0.075 0.000 0.896 296 Q CB 0.555 29.227 28.738 -0.110 0.000 1.186 296 Q HN 0.672 nan 8.270 nan 0.000 0.392 297 L N 2.904 124.107 121.223 -0.033 0.000 1.921 297 L HA -0.274 4.066 4.340 0.000 0.000 0.219 297 L C 1.260 178.117 176.870 -0.023 0.000 1.081 297 L CA 1.589 56.418 54.840 -0.018 0.000 0.771 297 L CB -0.597 41.453 42.059 -0.016 0.000 0.888 297 L HN 0.724 nan 8.230 nan 0.000 0.433 298 Q N -1.085 118.697 119.800 -0.029 0.000 3.074 298 Q HA 0.175 4.515 4.340 0.000 0.000 0.208 298 Q C 0.947 176.924 176.000 -0.038 0.000 1.163 298 Q CA -0.751 55.036 55.803 -0.027 0.000 0.358 298 Q CB -0.342 28.384 28.738 -0.020 0.000 5.680 298 Q HN -0.023 nan 8.270 nan 0.000 0.297 299 K N 0.685 121.065 120.400 -0.033 0.000 2.555 299 K HA 0.140 4.460 4.320 0.000 0.000 0.193 299 K C -0.496 176.069 176.600 -0.059 0.000 1.032 299 K CA 0.394 56.657 56.287 -0.040 0.000 1.004 299 K CB -0.371 32.115 32.500 -0.023 0.000 0.804 299 K HN 0.296 nan 8.250 nan 0.000 0.496 300 N N 1.246 119.911 118.700 -0.057 0.000 2.272 300 N HA 0.350 5.090 4.740 0.000 0.000 0.305 300 N C -0.483 174.979 175.510 -0.080 0.000 1.103 300 N CA -0.697 52.313 53.050 -0.066 0.000 0.791 300 N CB 2.118 40.593 38.487 -0.021 0.000 1.356 300 N HN -0.016 nan 8.380 nan 0.000 0.486 301 L N -1.267 119.883 121.223 -0.122 0.000 2.260 301 L HA 0.898 5.238 4.340 0.000 0.000 0.265 301 L C 0.073 176.924 176.870 -0.031 0.000 1.015 301 L CA -0.333 54.434 54.840 -0.121 0.000 0.826 301 L CB 1.597 43.497 42.059 -0.265 0.000 1.373 301 L HN 0.425 nan 8.230 nan 0.000 0.450 302 T N -1.087 113.457 114.554 -0.018 0.000 2.831 302 T HA 0.490 4.840 4.350 0.000 0.000 0.333 302 T C -1.995 172.727 174.700 0.037 0.000 1.684 302 T CA -0.347 61.783 62.100 0.050 0.000 1.049 302 T CB 1.082 70.010 68.868 0.101 0.000 1.518 302 T HN 0.971 nan 8.240 nan 0.000 0.491 303 C N 2.580 121.908 119.300 0.047 0.000 3.170 303 C HA 0.881 5.341 4.460 0.000 0.000 0.319 303 C C -2.035 172.958 174.990 0.005 0.000 1.260 303 C CA -0.359 58.683 59.018 0.039 0.000 1.374 303 C CB 1.531 29.296 27.740 0.042 0.000 1.739 303 C HN 0.970 nan 8.230 nan 0.000 0.479 304 E N 2.982 123.169 120.200 -0.022 0.000 2.352 304 E HA 0.515 4.865 4.350 0.000 0.000 0.280 304 E C -2.005 174.474 176.600 -0.202 0.000 0.930 304 E CA -0.520 55.773 56.400 -0.178 0.000 0.765 304 E CB 1.582 31.064 29.700 -0.365 0.000 1.219 304 E HN 0.380 nan 8.360 nan 0.000 0.434 305 V N 2.970 122.739 119.914 -0.243 0.000 2.347 305 V HA 0.355 4.475 4.120 0.000 0.000 0.280 305 V C -1.067 174.947 176.094 -0.132 0.000 1.021 305 V CA -0.399 61.851 62.300 -0.084 0.000 0.847 305 V CB 0.257 32.080 31.823 0.000 0.000 0.990 305 V HN 0.598 nan 8.190 nan 0.000 0.444 306 W N 3.784 125.149 121.300 0.108 0.000 2.485 306 W HA 0.808 5.468 4.660 0.000 0.000 0.364 306 W C 0.843 177.447 176.519 0.142 0.000 1.171 306 W CA 0.816 58.230 57.345 0.114 0.000 1.304 306 W CB 0.991 30.518 29.460 0.111 0.000 1.335 306 W HN 0.983 nan 8.180 nan 0.000 0.643 307 G N 0.562 109.619 108.800 0.428 0.000 2.482 307 G HA2 -0.174 3.786 3.960 0.000 0.000 0.214 307 G HA3 -0.174 3.786 3.960 0.000 0.000 0.214 307 G C -2.742 172.299 174.900 0.235 0.000 1.271 307 G CA -0.851 44.443 45.100 0.322 0.000 0.944 307 G HN 0.421 nan 8.290 nan 0.000 0.568 308 P HA 0.308 nan 4.420 nan 0.000 0.247 308 P C 0.264 177.660 177.300 0.161 0.000 1.756 308 P CA 0.617 63.804 63.100 0.146 0.000 1.117 308 P CB -0.184 31.577 31.700 0.102 0.000 1.869 309 T N -0.727 113.914 114.554 0.145 0.000 2.934 309 T HA 0.448 4.798 4.350 0.000 0.000 0.283 309 T C 0.227 174.984 174.700 0.095 0.000 1.005 309 T CA -0.746 61.433 62.100 0.132 0.000 1.041 309 T CB 1.187 70.114 68.868 0.099 0.000 1.042 309 T HN 0.182 nan 8.240 nan 0.000 0.505 310 S N 1.694 117.443 115.700 0.081 0.000 2.541 310 S HA 0.407 4.877 4.470 0.000 0.000 0.283 310 S C -1.790 172.832 174.600 0.037 0.000 1.196 310 S CA -1.734 56.500 58.200 0.058 0.000 1.062 310 S CB 0.874 64.108 63.200 0.056 0.000 1.009 310 S HN 0.643 nan 8.310 nan 0.000 0.502 311 P HA 0.161 nan 4.420 nan 0.000 0.252 311 P C 0.085 177.394 177.300 0.015 0.000 1.265 311 P CA 0.324 63.437 63.100 0.021 0.000 0.775 311 P CB 0.078 31.791 31.700 0.022 0.000 1.128 312 K N -0.743 119.667 120.400 0.016 0.000 2.348 312 K HA 0.181 4.501 4.320 0.000 0.000 0.194 312 K C 1.016 177.617 176.600 0.002 0.000 1.052 312 K CA 0.275 56.568 56.287 0.010 0.000 1.004 312 K CB -0.388 32.120 32.500 0.014 0.000 0.873 312 K HN 0.155 nan 8.250 nan 0.000 0.523 313 L N -0.256 120.969 121.223 0.003 0.000 2.479 313 L HA 0.358 4.698 4.340 0.000 0.000 0.248 313 L C 0.394 177.253 176.870 -0.018 0.000 1.205 313 L CA -0.216 54.618 54.840 -0.010 0.000 0.817 313 L CB 0.122 42.175 42.059 -0.011 0.000 1.162 313 L HN -0.163 nan 8.230 nan 0.000 0.486 314 M N 1.199 120.781 119.600 -0.030 0.000 2.631 314 M HA 0.550 5.030 4.480 0.000 0.000 0.288 314 M C -1.072 175.203 176.300 -0.041 0.000 1.260 314 M CA -0.363 54.916 55.300 -0.035 0.000 0.842 314 M CB 2.381 34.959 32.600 -0.036 0.000 1.743 314 M HN 0.541 nan 8.290 nan 0.000 0.461 315 L N 0.937 122.133 121.223 -0.044 0.000 2.371 315 L HA 0.825 5.165 4.340 0.000 0.000 0.262 315 L C -1.182 175.660 176.870 -0.046 0.000 1.006 315 L CA -0.131 54.683 54.840 -0.043 0.000 0.818 315 L CB 2.263 44.295 42.059 -0.045 0.000 1.354 315 L HN 0.949 nan 8.230 nan 0.000 0.415 316 S N 3.811 119.491 115.700 -0.033 0.000 2.537 316 S HA 0.668 5.138 4.470 0.000 0.000 0.270 316 S C -1.203 173.403 174.600 0.011 0.000 1.142 316 S CA -0.753 57.429 58.200 -0.029 0.000 0.870 316 S CB 2.162 65.339 63.200 -0.038 0.000 1.112 316 S HN 0.509 nan 8.310 nan 0.000 0.466 317 L N 2.129 123.377 121.223 0.042 0.000 2.439 317 L HA 0.663 5.003 4.340 0.000 0.000 0.270 317 L C -0.722 176.232 176.870 0.140 0.000 0.972 317 L CA -0.407 54.534 54.840 0.168 0.000 0.836 317 L CB 1.925 44.130 42.059 0.243 0.000 1.255 317 L HN 0.928 nan 8.230 nan 0.000 0.404 318 K N 2.327 122.708 120.400 -0.033 0.000 2.509 318 K HA 0.527 4.847 4.320 0.000 0.000 0.266 318 K C -0.321 175.696 176.600 -0.972 0.000 0.987 318 K CA -0.944 55.053 56.287 -0.484 0.000 0.868 318 K CB 1.659 33.981 32.500 -0.295 0.000 1.421 318 K HN 0.344 nan 8.250 nan 0.000 0.444 319 L N -0.493 119.824 121.223 -1.509 0.000 2.653 319 L HA 0.277 4.617 4.340 0.000 0.000 0.232 319 L C 1.092 177.594 176.870 -0.613 0.000 1.169 319 L CA 0.577 54.482 54.840 -1.559 0.000 0.951 319 L CB -0.702 40.452 42.059 -1.509 0.000 1.181 319 L HN 1.128 nan 8.230 nan 0.000 0.460 320 E N -0.114 119.838 120.200 -0.414 0.000 4.540 320 E HA -0.449 3.901 4.350 0.000 0.000 0.175 320 E C 0.955 177.442 176.600 -0.189 0.000 1.236 320 E CA 1.849 58.115 56.400 -0.224 0.000 2.396 320 E CB -1.569 28.042 29.700 -0.148 0.000 1.797 320 E HN 0.598 nan 8.360 nan 0.000 0.437 321 N N 1.851 120.434 118.700 -0.195 0.000 2.005 321 N HA -0.113 4.627 4.740 0.000 0.000 0.199 321 N C 0.709 176.138 175.510 -0.134 0.000 1.054 321 N CA 2.169 55.135 53.050 -0.140 0.000 0.864 321 N CB -0.221 38.186 38.487 -0.133 0.000 1.063 321 N HN 0.471 nan 8.380 nan 0.000 0.428 322 K N 1.108 121.409 120.400 -0.166 0.000 2.109 322 K HA 0.209 4.529 4.320 0.000 0.000 0.243 322 K C 0.351 176.857 176.600 -0.156 0.000 1.006 322 K CA -0.637 55.567 56.287 -0.139 0.000 0.917 322 K CB 0.847 33.271 32.500 -0.127 0.000 1.081 322 K HN 0.099 nan 8.250 nan 0.000 0.468 323 E N 0.436 120.565 120.200 -0.118 0.000 2.405 323 E HA 0.099 4.449 4.350 0.000 0.000 0.253 323 E C -0.240 176.288 176.600 -0.120 0.000 1.257 323 E CA -0.350 55.985 56.400 -0.108 0.000 0.960 323 E CB 0.306 29.960 29.700 -0.076 0.000 1.077 323 E HN 0.694 nan 8.360 nan 0.000 0.512 324 A N 0.626 123.386 122.820 -0.099 0.000 2.198 324 A HA -0.126 4.194 4.320 0.000 0.000 0.322 324 A C 1.265 178.801 177.584 -0.079 0.000 0.870 324 A CA 1.609 53.594 52.037 -0.087 0.000 1.382 324 A CB -0.900 18.060 19.000 -0.066 0.000 0.668 324 A HN 0.652 nan 8.150 nan 0.000 0.299 325 K N 1.587 121.939 120.400 -0.080 0.000 2.305 325 K HA 0.448 4.768 4.320 0.000 0.000 0.199 325 K C 0.715 177.320 176.600 0.008 0.000 1.047 325 K CA 1.370 57.651 56.287 -0.011 0.000 0.976 325 K CB 0.196 32.732 32.500 0.060 0.000 0.765 325 K HN 1.954 nan 8.250 nan 0.000 0.474 326 V N 0.038 119.936 119.914 -0.027 0.000 2.839 326 V HA 0.434 4.554 4.120 0.000 0.000 0.284 326 V C -1.981 174.058 176.094 -0.092 0.000 1.397 326 V CA -0.416 61.829 62.300 -0.091 0.000 0.938 326 V CB 1.489 33.218 31.823 -0.157 0.000 1.112 326 V HN 0.326 nan 8.190 nan 0.000 0.443 327 S N 5.988 121.628 115.700 -0.100 0.000 2.503 327 S HA 0.940 5.410 4.470 0.000 0.000 0.301 327 S C -0.755 173.787 174.600 -0.098 0.000 1.087 327 S CA -0.431 57.719 58.200 -0.083 0.000 1.042 327 S CB 1.756 64.918 63.200 -0.064 0.000 1.043 327 S HN 0.893 nan 8.310 nan 0.000 0.489 328 K N 1.234 121.583 120.400 -0.084 0.000 2.735 328 K HA 0.355 4.675 4.320 0.000 0.000 0.295 328 K C -1.566 175.002 176.600 -0.053 0.000 1.052 328 K CA -0.666 55.574 56.287 -0.079 0.000 0.853 328 K CB 1.239 33.669 32.500 -0.117 0.000 1.535 328 K HN 0.514 nan 8.250 nan 0.000 0.383 329 R N 2.039 122.516 120.500 -0.039 0.000 2.664 329 R HA 0.211 4.551 4.340 0.000 0.000 0.281 329 R C -1.162 175.129 176.300 -0.016 0.000 1.383 329 R CA -0.121 55.964 56.100 -0.024 0.000 1.563 329 R CB 0.482 30.773 30.300 -0.015 0.000 1.131 329 R HN 0.586 nan 8.270 nan 0.000 0.599 330 E N 0.026 120.212 120.200 -0.023 0.000 2.429 330 E HA 0.084 4.434 4.350 0.000 0.000 0.277 330 E C -0.793 175.782 176.600 -0.042 0.000 1.130 330 E CA -0.955 55.434 56.400 -0.020 0.000 0.875 330 E CB 0.607 30.307 29.700 0.000 0.000 1.443 330 E HN 0.142 nan 8.360 nan 0.000 0.444 331 K N -0.416 119.943 120.400 -0.068 0.000 2.358 331 K HA 0.515 4.835 4.320 0.000 0.000 0.197 331 K C 0.286 176.765 176.600 -0.202 0.000 1.025 331 K CA 0.300 56.506 56.287 -0.136 0.000 1.104 331 K CB 0.961 33.359 32.500 -0.170 0.000 0.855 331 K HN 0.411 nan 8.250 nan 0.000 0.531 332 A N 1.564 124.317 122.820 -0.112 0.000 3.127 332 A HA 0.379 4.699 4.320 0.000 0.000 0.319 332 A C -0.875 176.770 177.584 0.103 0.000 1.104 332 A CA -0.590 51.404 52.037 -0.072 0.000 0.802 332 A CB 0.747 19.675 19.000 -0.120 0.000 1.193 332 A HN 0.039 nan 8.150 nan 0.000 0.479 333 V N 1.262 121.216 119.914 0.067 0.000 2.997 333 V HA 0.754 4.874 4.120 0.000 0.000 0.311 333 V C -0.309 175.890 176.094 0.175 0.000 1.066 333 V CA -0.016 62.319 62.300 0.057 0.000 1.039 333 V CB 1.600 33.355 31.823 -0.114 0.000 1.081 333 V HN 0.948 nan 8.190 nan 0.000 0.467 334 W N 1.996 123.284 121.300 -0.021 0.000 3.032 334 W HA 0.776 5.436 4.660 0.000 0.000 0.335 334 W C -1.962 174.548 176.519 -0.015 0.000 1.154 334 W CA -1.096 56.233 57.345 -0.027 0.000 1.204 334 W CB 1.436 30.878 29.460 -0.030 0.000 1.416 334 W HN 0.256 nan 8.180 nan 0.000 0.521 335 V N 5.173 125.104 119.914 0.027 0.000 2.385 335 V HA 0.250 4.370 4.120 0.000 0.000 0.277 335 V C -0.039 176.068 176.094 0.022 0.000 1.012 335 V CA -0.944 61.331 62.300 -0.042 0.000 0.832 335 V CB 0.675 32.459 31.823 -0.065 0.000 1.028 335 V HN 0.758 nan 8.190 nan 0.000 0.436 336 L N 3.493 124.804 121.223 0.147 0.000 2.367 336 L HA 0.614 4.954 4.340 0.000 0.000 0.275 336 L C 0.428 177.325 176.870 0.045 0.000 1.129 336 L CA 0.303 55.213 54.840 0.118 0.000 0.839 336 L CB 0.442 42.617 42.059 0.194 0.000 1.133 336 L HN 0.700 nan 8.230 nan 0.000 0.453 337 N N 2.386 121.087 118.700 0.001 0.000 2.623 337 N HA -0.093 4.647 4.740 0.000 0.000 0.271 337 N C -2.588 172.916 175.510 -0.009 0.000 1.206 337 N CA 0.555 53.605 53.050 0.000 0.000 0.666 337 N CB -0.622 37.886 38.487 0.034 0.000 0.887 337 N HN 0.679 nan 8.380 nan 0.000 0.554 338 P HA 0.467 nan 4.420 nan 0.000 0.283 338 P C -0.529 176.834 177.300 0.105 0.000 1.278 338 P CA -0.244 62.799 63.100 -0.095 0.000 0.834 338 P CB 1.048 32.366 31.700 -0.637 0.000 1.150 339 E N -0.447 119.963 120.200 0.349 0.000 2.263 339 E HA 0.617 4.967 4.350 0.000 0.000 0.264 339 E C -0.517 176.285 176.600 0.336 0.000 0.923 339 E CA -1.151 55.401 56.400 0.254 0.000 0.802 339 E CB 1.114 30.936 29.700 0.204 0.000 1.228 339 E HN 0.481 nan 8.360 nan 0.000 0.417 340 A N 1.286 124.223 122.820 0.196 0.000 2.567 340 A HA 0.486 4.806 4.320 0.000 0.000 0.240 340 A C 0.476 178.182 177.584 0.204 0.000 1.053 340 A CA 1.044 53.192 52.037 0.184 0.000 0.755 340 A CB -0.473 18.587 19.000 0.099 0.000 0.978 340 A HN 0.663 nan 8.150 nan 0.000 0.507 341 G N 1.490 110.438 108.800 0.246 0.000 2.376 341 G HA2 0.423 4.383 3.960 0.000 0.000 0.302 341 G HA3 0.423 4.383 3.960 0.000 0.000 0.302 341 G C -0.711 174.335 174.900 0.243 0.000 1.586 341 G CA -0.976 44.208 45.100 0.140 0.000 0.907 341 G HN 0.638 nan 8.290 nan 0.000 0.655 342 M N 1.487 121.156 119.600 0.115 0.000 2.725 342 M HA 0.221 4.701 4.480 0.000 0.000 0.322 342 M C -0.505 175.879 176.300 0.140 0.000 1.393 342 M CA -0.213 55.176 55.300 0.148 0.000 1.452 342 M CB -0.161 32.484 32.600 0.076 0.000 1.242 342 M HN 0.457 nan 8.290 nan 0.000 0.487 343 W N 2.952 124.250 121.300 -0.003 0.000 2.231 343 W HA 0.054 4.714 4.660 0.000 0.000 0.341 343 W C 0.414 176.929 176.519 -0.007 0.000 1.298 343 W CA 0.351 57.693 57.345 -0.006 0.000 1.266 343 W CB 0.175 29.632 29.460 -0.004 0.000 1.172 343 W HN 0.453 nan 8.180 nan 0.000 0.568 344 Q N 2.800 122.693 119.800 0.156 0.000 2.330 344 Q HA 0.387 4.727 4.340 0.000 0.000 0.269 344 Q C -0.953 175.108 176.000 0.102 0.000 1.022 344 Q CA -0.881 54.977 55.803 0.091 0.000 0.796 344 Q CB 2.318 31.063 28.738 0.012 0.000 1.271 344 Q HN 0.477 nan 8.270 nan 0.000 0.450 345 C N 3.939 123.294 119.300 0.091 0.000 2.350 345 C HA 0.701 5.161 4.460 0.000 0.000 0.348 345 C C -1.073 173.935 174.990 0.029 0.000 1.260 345 C CA -0.293 58.767 59.018 0.070 0.000 1.966 345 C CB -0.428 27.352 27.740 0.067 0.000 2.380 345 C HN 0.704 nan 8.230 nan 0.000 0.535 346 L N 6.943 128.170 121.223 0.007 0.000 2.381 346 L HA 0.608 4.948 4.340 0.000 0.000 0.274 346 L C -0.447 176.402 176.870 -0.034 0.000 0.988 346 L CA -0.172 54.657 54.840 -0.018 0.000 0.824 346 L CB 1.540 43.582 42.059 -0.028 0.000 1.263 346 L HN 0.535 nan 8.230 nan 0.000 0.410 347 L N 2.270 123.461 121.223 -0.053 0.000 2.341 347 L HA 0.805 5.145 4.340 0.000 0.000 0.278 347 L C -0.282 176.520 176.870 -0.114 0.000 1.005 347 L CA 0.435 55.230 54.840 -0.073 0.000 0.818 347 L CB 1.777 43.793 42.059 -0.072 0.000 1.259 347 L HN 0.817 nan 8.230 nan 0.000 0.418 348 S N 3.421 119.060 115.700 -0.101 0.000 4.261 348 S HA 0.642 5.112 4.470 0.000 0.000 0.262 348 S C -1.895 172.658 174.600 -0.078 0.000 1.063 348 S CA -0.094 58.042 58.200 -0.106 0.000 1.355 348 S CB 1.046 64.201 63.200 -0.075 0.000 1.629 348 S HN 0.837 nan 8.310 nan 0.000 0.658 349 D N -1.069 119.301 120.400 -0.050 0.000 2.527 349 D HA 0.265 4.906 4.640 0.000 0.000 0.191 349 D C 0.189 176.477 176.300 -0.021 0.000 0.915 349 D CA 1.020 55.005 54.000 -0.026 0.000 0.963 349 D CB 0.093 40.885 40.800 -0.013 0.000 4.192 349 D HN 0.841 nan 8.370 nan 0.000 0.471 350 S N 1.729 117.420 115.700 -0.014 0.000 2.557 350 S HA -0.262 4.208 4.470 0.000 0.000 0.240 350 S C 1.440 176.029 174.600 -0.017 0.000 1.210 350 S CA 2.153 60.346 58.200 -0.012 0.000 2.526 350 S CB -1.676 61.521 63.200 -0.005 0.000 1.373 350 S HN 1.611 nan 8.310 nan 0.000 0.497 351 G N 1.281 110.068 108.800 -0.021 0.000 3.990 351 G HA2 0.259 4.219 3.960 0.000 0.000 0.204 351 G HA3 0.259 4.219 3.960 0.000 0.000 0.204 351 G C -0.238 174.645 174.900 -0.029 0.000 1.420 351 G CA 0.416 45.502 45.100 -0.024 0.000 0.942 351 G HN 0.698 nan 8.290 nan 0.000 0.606 352 Q N 1.998 121.783 119.800 -0.026 0.000 2.274 352 Q HA 0.375 4.715 4.340 0.000 0.000 0.280 352 Q C 0.143 176.113 176.000 -0.050 0.000 1.047 352 Q CA -0.247 55.538 55.803 -0.030 0.000 0.907 352 Q CB 0.885 29.613 28.738 -0.017 0.000 1.171 352 Q HN 0.165 nan 8.270 nan 0.000 0.381 353 V N 6.748 126.632 119.914 -0.051 0.000 2.509 353 V HA -0.132 3.988 4.120 0.000 0.000 0.297 353 V C 1.334 177.364 176.094 -0.107 0.000 1.014 353 V CA 0.527 62.785 62.300 -0.070 0.000 1.127 353 V CB -0.146 31.647 31.823 -0.050 0.000 0.925 353 V HN 0.879 nan 8.190 nan 0.000 0.480 354 L N 4.205 125.322 121.223 -0.177 0.000 2.121 354 L HA 0.288 4.628 4.340 0.000 0.000 0.200 354 L C 0.552 177.280 176.870 -0.238 0.000 1.132 354 L CA 0.558 55.196 54.840 -0.335 0.000 0.782 354 L CB 0.041 41.738 42.059 -0.604 0.000 0.940 354 L HN 0.409 nan 8.230 nan 0.000 0.458 355 L N 0.198 121.307 121.223 -0.190 0.000 2.309 355 L HA 0.319 4.659 4.340 0.000 0.000 0.282 355 L C -0.477 176.375 176.870 -0.029 0.000 1.036 355 L CA 0.044 54.843 54.840 -0.068 0.000 0.806 355 L CB 1.626 43.671 42.059 -0.023 0.000 1.220 355 L HN 0.144 nan 8.230 nan 0.000 0.429 356 E N 1.671 121.871 120.200 -0.000 0.000 2.260 356 E HA 0.461 4.811 4.350 0.000 0.000 0.266 356 E C -1.576 175.040 176.600 0.027 0.000 0.887 356 E CA -0.330 56.075 56.400 0.008 0.000 0.777 356 E CB 1.631 31.331 29.700 0.000 0.000 1.205 356 E HN 0.478 nan 8.360 nan 0.000 0.414 357 S N 3.324 119.047 115.700 0.039 0.000 2.756 357 S HA 0.374 4.844 4.470 0.000 0.000 0.303 357 S C -0.788 173.850 174.600 0.062 0.000 1.135 357 S CA -0.853 57.376 58.200 0.049 0.000 1.066 357 S CB 0.861 64.096 63.200 0.057 0.000 1.008 357 S HN 0.495 nan 8.310 nan 0.000 0.482 358 N N 1.811 120.546 118.700 0.057 0.000 2.513 358 N HA 0.740 5.480 4.740 0.000 0.000 0.274 358 N C -0.713 174.846 175.510 0.081 0.000 1.189 358 N CA -0.232 52.863 53.050 0.074 0.000 0.975 358 N CB 0.630 39.150 38.487 0.055 0.000 1.157 358 N HN 0.599 nan 8.380 nan 0.000 0.465 359 I N -0.359 120.280 120.570 0.114 0.000 2.771 359 I HA 0.252 4.422 4.170 0.000 0.000 0.291 359 I C -1.528 174.671 176.117 0.136 0.000 1.527 359 I CA -0.552 60.804 61.300 0.095 0.000 1.024 359 I CB 1.361 39.401 38.000 0.066 0.000 1.388 359 I HN 0.421 nan 8.210 nan 0.000 0.447 360 K N 4.792 125.248 120.400 0.093 0.000 2.139 360 K HA 0.859 5.179 4.320 0.000 0.000 0.243 360 K C -1.331 175.298 176.600 0.048 0.000 0.983 360 K CA -0.931 55.428 56.287 0.120 0.000 0.890 360 K CB 1.939 34.491 32.500 0.087 0.000 1.090 360 K HN 0.315 nan 8.250 nan 0.000 0.445 361 V N 2.421 122.381 119.914 0.078 0.000 2.715 361 V HA 0.233 4.353 4.120 0.000 0.000 0.310 361 V C 0.869 176.985 176.094 0.038 0.000 1.054 361 V CA -0.738 61.562 62.300 -0.000 0.000 0.928 361 V CB 1.415 33.209 31.823 -0.048 0.000 1.007 361 V HN 0.672 nan 8.190 nan 0.000 0.437 362 L N 1.821 123.051 121.223 0.013 0.000 2.117 362 L HA 0.299 4.639 4.340 0.000 0.000 0.200 362 L C -0.831 176.055 176.870 0.026 0.000 1.110 362 L CA -0.008 54.843 54.840 0.019 0.000 0.774 362 L CB -1.969 40.094 42.059 0.006 0.000 0.934 362 L HN 0.487 nan 8.230 nan 0.000 0.456 363 P HA 0.000 nan 4.420 nan 0.000 0.216 363 P CA 0.000 63.114 63.100 0.024 0.000 0.800 363 P CB 0.000 31.710 31.700 0.017 0.000 0.726