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 1q12_1_D DATA FIRST_RESID 4 DATA SEQUENCE VQLQNVTKAW GEVVVSKDIN LDIHEGEFVV FVGPSGCGKS TLLRMIAGLE DATA SEQUENCE TITSGDLFIG EKRMNDTPPA ERGVGMVFQS YALYPHLSVA ENMSFGLKLA DATA SEQUENCE GAKKEVINQR VNQVAEVLQL AHLLDRKPKA LSGGQRQRVA IGRTLVAEPS DATA SEQUENCE VFLLDEPLSN LDAALRVQMR IEISRLHKRL GRTMIYVTHD QVEAMTLADK DATA SEQUENCE IVVLDAGRVA QVGKPLELYH YPADRFVAGF IGSPKMNFLP VKVTATAIDQ DATA SEQUENCE VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DIADVILEGE DATA SEQUENCE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF AIGLPPERCH DATA SEQUENCE LFREDGTACR RLHKEPG 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.185 176.094 0.152 0.000 1.182 4 V CA 0.000 62.380 62.300 0.133 0.000 1.235 4 V CB 0.000 31.901 31.823 0.131 0.000 1.184 5 Q N 0.634 120.520 119.800 0.144 0.000 2.364 5 Q HA 0.693 5.033 4.340 0.001 0.000 0.257 5 Q C -2.365 173.663 176.000 0.046 0.000 0.956 5 Q CA -0.507 55.374 55.803 0.130 0.000 0.924 5 Q CB 2.377 31.239 28.738 0.208 0.000 1.413 5 Q HN 0.452 nan 8.270 nan 0.000 0.418 6 L N 2.118 123.344 121.223 0.004 0.000 2.319 6 L HA 0.608 4.949 4.340 0.001 0.000 0.267 6 L C -0.745 176.051 176.870 -0.123 0.000 1.011 6 L CA -0.326 54.475 54.840 -0.064 0.000 0.818 6 L CB 2.021 44.076 42.059 -0.006 0.000 1.316 6 L HN 0.646 nan 8.230 nan 0.000 0.432 7 Q N 2.013 121.708 119.800 -0.176 0.000 2.709 7 Q HA 0.291 4.632 4.340 0.001 0.000 0.232 7 Q C -0.963 174.956 176.000 -0.134 0.000 0.856 7 Q CA -0.222 55.475 55.803 -0.176 0.000 0.788 7 Q CB 0.459 29.010 28.738 -0.312 0.000 1.386 7 Q HN 0.699 nan 8.270 nan 0.000 0.453 8 N N 0.887 119.534 118.700 -0.088 0.000 2.747 8 N HA -0.148 4.593 4.740 0.001 0.000 0.249 8 N C -0.649 174.816 175.510 -0.076 0.000 1.107 8 N CA 0.923 53.930 53.050 -0.072 0.000 0.707 8 N CB -1.090 37.357 38.487 -0.066 0.000 1.054 8 N HN 0.332 nan 8.380 nan 0.000 0.555 9 V N 1.610 121.477 119.914 -0.077 0.000 2.434 9 V HA 0.040 4.160 4.120 0.001 0.000 0.281 9 V C 0.942 176.991 176.094 -0.074 0.000 1.005 9 V CA 0.613 62.868 62.300 -0.074 0.000 1.089 9 V CB 0.557 32.345 31.823 -0.059 0.000 0.978 9 V HN 0.158 nan 8.190 nan 0.000 0.474 10 T N 5.233 119.736 114.554 -0.085 0.000 2.797 10 T HA 0.622 4.972 4.350 0.001 0.000 0.279 10 T C -0.331 174.286 174.700 -0.137 0.000 0.991 10 T CA -0.847 61.194 62.100 -0.099 0.000 0.979 10 T CB 2.009 70.826 68.868 -0.085 0.000 0.943 10 T HN 0.540 nan 8.240 nan 0.000 0.444 11 K N 1.392 121.683 120.400 -0.183 0.000 2.371 11 K HA 0.870 5.191 4.320 0.001 0.000 0.251 11 K C -1.512 174.874 176.600 -0.357 0.000 0.934 11 K CA -0.678 55.427 56.287 -0.303 0.000 0.798 11 K CB 1.780 34.067 32.500 -0.354 0.000 1.204 11 K HN 0.891 nan 8.250 nan 0.000 0.427 12 A N 2.416 124.935 122.820 -0.501 0.000 2.583 12 A HA 0.620 4.941 4.320 0.001 0.000 0.292 12 A C -2.097 175.232 177.584 -0.425 0.000 1.045 12 A CA -0.843 50.960 52.037 -0.390 0.000 0.672 12 A CB 0.898 19.797 19.000 -0.168 0.000 1.283 12 A HN 0.476 nan 8.150 nan 0.000 0.419 13 W N 1.653 122.953 121.300 -0.001 0.000 2.563 13 W HA 0.536 5.197 4.660 0.000 0.000 0.301 13 W C 0.587 177.105 176.519 -0.001 0.000 1.006 13 W CA 0.139 57.484 57.345 0.000 0.000 1.382 13 W CB 1.080 30.541 29.460 0.002 0.000 1.262 13 W HN 2.042 nan 8.180 nan 0.000 0.403 14 G N 2.694 111.606 108.800 0.186 0.000 2.542 14 G HA2 -0.315 3.645 3.960 0.001 0.000 0.235 14 G HA3 -0.315 3.645 3.960 0.001 0.000 0.235 14 G C 0.586 175.528 174.900 0.070 0.000 1.286 14 G CA 0.283 45.449 45.100 0.110 0.000 0.904 14 G HN 0.538 nan 8.290 nan 0.000 0.577 15 E N -0.680 119.551 120.200 0.052 0.000 2.416 15 E HA 0.322 4.672 4.350 0.001 0.000 0.189 15 E C 0.534 177.152 176.600 0.031 0.000 1.091 15 E CA 0.404 56.822 56.400 0.030 0.000 0.889 15 E CB 0.228 29.941 29.700 0.022 0.000 1.015 15 E HN 0.462 nan 8.360 nan 0.000 0.479 16 V N 2.322 122.268 119.914 0.054 0.000 2.192 16 V HA 0.108 4.228 4.120 0.001 0.000 0.264 16 V C 0.008 176.123 176.094 0.035 0.000 1.155 16 V CA -0.783 61.551 62.300 0.056 0.000 1.005 16 V CB 0.848 32.729 31.823 0.098 0.000 1.201 16 V HN 0.127 nan 8.190 nan 0.000 0.468 17 V N 4.051 123.961 119.914 -0.007 0.000 2.403 17 V HA 0.024 4.145 4.120 0.001 0.000 0.265 17 V C 1.338 177.397 176.094 -0.059 0.000 1.034 17 V CA 0.724 62.993 62.300 -0.051 0.000 1.036 17 V CB 1.225 33.015 31.823 -0.054 0.000 1.032 17 V HN 0.629 nan 8.190 nan 0.000 0.478 18 V N 4.611 124.467 119.914 -0.098 0.000 2.591 18 V HA 0.045 4.165 4.120 0.001 0.000 0.249 18 V C 0.930 176.970 176.094 -0.089 0.000 1.053 18 V CA 1.596 63.847 62.300 -0.083 0.000 1.068 18 V CB 0.683 32.429 31.823 -0.128 0.000 0.689 18 V HN 0.866 nan 8.190 nan 0.000 0.462 19 S N -0.403 115.226 115.700 -0.118 0.000 2.548 19 S HA 0.557 5.028 4.470 0.001 0.000 0.276 19 S C -0.830 173.714 174.600 -0.093 0.000 1.129 19 S CA -0.688 57.455 58.200 -0.095 0.000 0.931 19 S CB 2.388 65.532 63.200 -0.093 0.000 1.068 19 S HN 0.360 nan 8.310 nan 0.000 0.480 20 K N 0.836 121.190 120.400 -0.077 0.000 2.520 20 K HA 0.311 4.631 4.320 0.001 0.000 0.256 20 K C -0.551 176.010 176.600 -0.065 0.000 1.033 20 K CA -0.643 55.602 56.287 -0.070 0.000 1.007 20 K CB 0.187 32.648 32.500 -0.066 0.000 1.330 20 K HN 0.521 nan 8.250 nan 0.000 0.507 21 D N 2.396 122.761 120.400 -0.058 0.000 2.662 21 D HA 0.033 4.673 4.640 0.001 0.000 0.228 21 D C 0.061 176.331 176.300 -0.051 0.000 1.090 21 D CA 0.246 54.213 54.000 -0.055 0.000 1.118 21 D CB -1.061 39.711 40.800 -0.048 0.000 1.129 21 D HN 0.415 nan 8.370 nan 0.000 0.472 22 I N -1.406 119.134 120.570 -0.050 0.000 2.648 22 I HA 0.090 4.260 4.170 0.001 0.000 0.284 22 I C -0.141 175.952 176.117 -0.039 0.000 1.153 22 I CA -0.083 61.190 61.300 -0.044 0.000 1.426 22 I CB 0.602 38.581 38.000 -0.035 0.000 1.381 22 I HN -0.159 nan 8.210 nan 0.000 0.571 23 N N 7.977 126.656 118.700 -0.036 0.000 2.776 23 N HA 0.427 5.167 4.740 0.001 0.000 0.245 23 N C -1.044 174.457 175.510 -0.015 0.000 1.121 23 N CA -0.349 52.684 53.050 -0.029 0.000 0.852 23 N CB 1.572 40.043 38.487 -0.026 0.000 1.142 23 N HN 0.598 nan 8.380 nan 0.000 0.514 24 L N 0.365 121.590 121.223 0.002 0.000 2.343 24 L HA 0.433 4.773 4.340 0.001 0.000 0.275 24 L C 0.430 177.328 176.870 0.048 0.000 1.056 24 L CA -0.461 54.393 54.840 0.024 0.000 0.804 24 L CB 1.382 43.484 42.059 0.072 0.000 1.203 24 L HN 0.165 nan 8.230 nan 0.000 0.440 25 D N 3.487 123.917 120.400 0.050 0.000 2.441 25 D HA 0.329 4.969 4.640 0.001 0.000 0.287 25 D C -0.528 175.815 176.300 0.072 0.000 1.198 25 D CA -0.226 53.827 54.000 0.087 0.000 0.894 25 D CB 0.813 41.669 40.800 0.092 0.000 1.070 25 D HN 0.293 nan 8.370 nan 0.000 0.499 26 I N 2.728 123.369 120.570 0.118 0.000 2.322 26 I HA 0.139 4.309 4.170 0.001 0.000 0.292 26 I C 1.239 177.484 176.117 0.212 0.000 1.060 26 I CA -0.361 61.008 61.300 0.116 0.000 1.309 26 I CB 0.511 38.603 38.000 0.154 0.000 1.415 26 I HN 0.127 nan 8.210 nan 0.000 0.492 27 H N 4.284 123.418 119.070 0.108 0.000 2.703 27 H HA 0.102 4.659 4.556 0.000 0.000 0.377 27 H C 0.272 175.658 175.328 0.097 0.000 1.392 27 H CA -0.683 55.421 56.048 0.095 0.000 1.458 27 H CB 0.797 30.612 29.762 0.088 0.000 1.529 27 H HN 0.574 nan 8.280 nan 0.000 0.619 28 E N 0.457 120.785 120.200 0.213 0.000 2.316 28 E HA 0.103 4.453 4.350 0.001 0.000 0.275 28 E C 0.308 176.991 176.600 0.138 0.000 1.029 28 E CA 0.261 56.743 56.400 0.137 0.000 0.871 28 E CB 0.428 30.176 29.700 0.080 0.000 1.022 28 E HN 0.913 nan 8.360 nan 0.000 0.418 29 G N 3.951 112.825 108.800 0.124 0.000 2.249 29 G HA2 -0.312 3.648 3.960 0.001 0.000 0.273 29 G HA3 -0.312 3.648 3.960 0.001 0.000 0.273 29 G C -0.012 175.025 174.900 0.228 0.000 1.036 29 G CA 0.763 45.928 45.100 0.107 0.000 0.824 29 G HN 0.605 nan 8.290 nan 0.000 0.504 30 E N -0.945 119.414 120.200 0.266 0.000 2.191 30 E HA 0.593 4.943 4.350 0.001 0.000 0.274 30 E C -0.755 176.041 176.600 0.327 0.000 0.948 30 E CA -1.157 55.423 56.400 0.300 0.000 0.802 30 E CB 0.642 30.465 29.700 0.205 0.000 1.137 30 E HN 0.044 nan 8.360 nan 0.000 0.397 31 F N 4.695 124.703 119.950 0.097 0.000 2.375 31 F HA 0.277 4.804 4.527 0.000 0.000 0.362 31 F C -0.918 174.874 175.800 -0.012 0.000 1.129 31 F CA -0.693 57.249 58.000 -0.098 0.000 1.154 31 F CB 0.619 39.323 39.000 -0.493 0.000 1.205 31 F HN 0.097 nan 8.300 nan 0.000 0.513 32 V N 7.171 127.344 119.914 0.430 0.000 2.409 32 V HA 0.452 4.572 4.120 0.001 0.000 0.291 32 V C -0.504 175.859 176.094 0.448 0.000 1.020 32 V CA -0.909 61.609 62.300 0.363 0.000 0.848 32 V CB 1.581 33.606 31.823 0.336 0.000 0.990 32 V HN 0.557 nan 8.190 nan 0.000 0.430 33 V N 2.963 123.099 119.914 0.370 0.000 2.547 33 V HA 0.690 4.810 4.120 0.001 0.000 0.299 33 V C -0.879 175.529 176.094 0.523 0.000 1.040 33 V CA -0.506 62.043 62.300 0.415 0.000 0.913 33 V CB 1.663 33.613 31.823 0.211 0.000 0.992 33 V HN 0.598 nan 8.190 nan 0.000 0.449 34 F N 4.202 124.220 119.950 0.113 0.000 2.436 34 F HA 0.754 5.282 4.527 0.000 0.000 0.340 34 F C 0.211 176.047 175.800 0.060 0.000 1.113 34 F CA -0.928 57.111 58.000 0.064 0.000 1.022 34 F CB 2.203 41.226 39.000 0.037 0.000 1.128 34 F HN 0.737 nan 8.300 nan 0.000 0.466 35 V N 0.726 120.747 119.914 0.179 0.000 2.962 35 V HA 1.092 5.212 4.120 0.001 0.000 0.313 35 V C -0.532 175.590 176.094 0.046 0.000 1.099 35 V CA -0.665 61.753 62.300 0.196 0.000 0.971 35 V CB 1.399 33.398 31.823 0.294 0.000 1.028 35 V HN 0.990 nan 8.190 nan 0.000 0.430 36 G N 1.732 110.584 108.800 0.087 0.000 2.338 36 G HA2 0.567 4.528 3.960 0.001 0.000 0.295 36 G HA3 0.567 4.528 3.960 0.001 0.000 0.295 36 G C -3.655 171.338 174.900 0.154 0.000 1.461 36 G CA -0.754 44.190 45.100 -0.261 0.000 0.817 36 G HN 0.714 nan 8.290 nan 0.000 0.556 37 P HA 0.292 nan 4.420 nan 0.000 0.269 37 P C 0.411 177.864 177.300 0.255 0.000 1.215 37 P CA -0.081 63.231 63.100 0.353 0.000 0.780 37 P CB 0.934 32.800 31.700 0.275 0.000 0.898 38 S N 1.877 117.700 115.700 0.205 0.000 2.596 38 S HA 0.272 4.742 4.470 0.001 0.000 0.298 38 S C 1.438 176.116 174.600 0.130 0.000 1.255 38 S CA 1.137 59.440 58.200 0.171 0.000 1.083 38 S CB -1.591 61.662 63.200 0.089 0.000 0.837 38 S HN 0.869 nan 8.310 nan 0.000 0.499 39 G N 2.994 111.870 108.800 0.126 0.000 2.213 39 G HA2 -0.335 3.626 3.960 0.001 0.000 0.236 39 G HA3 -0.335 3.626 3.960 0.001 0.000 0.236 39 G C 1.254 176.191 174.900 0.062 0.000 0.991 39 G CA 0.420 45.572 45.100 0.086 0.000 0.629 39 G HN 1.650 nan 8.290 nan 0.000 0.517 40 C N 0.265 119.602 119.300 0.061 0.000 2.422 40 C HA 0.485 4.945 4.460 0.001 0.000 0.286 40 C C 2.259 177.258 174.990 0.016 0.000 1.412 40 C CA 1.075 60.101 59.018 0.013 0.000 1.786 40 C CB -1.013 26.722 27.740 -0.007 0.000 1.835 40 C HN 2.458 nan 8.230 nan 0.000 0.533 41 G N 0.251 109.081 108.800 0.050 0.000 2.155 41 G HA2 -0.146 3.815 3.960 0.001 0.000 0.135 41 G HA3 -0.146 3.815 3.960 0.001 0.000 0.135 41 G C 0.600 175.551 174.900 0.084 0.000 1.023 41 G CA 0.212 45.342 45.100 0.050 0.000 0.688 41 G HN 0.558 nan 8.290 nan 0.000 0.499 42 K N 0.335 120.798 120.400 0.105 0.000 2.031 42 K HA 0.053 4.373 4.320 0.001 0.000 0.205 42 K C 2.545 179.185 176.600 0.066 0.000 1.049 42 K CA 1.533 57.904 56.287 0.139 0.000 0.939 42 K CB -0.157 32.416 32.500 0.123 0.000 0.717 42 K HN 0.269 nan 8.250 nan 0.000 0.438 43 S N 0.604 116.332 115.700 0.046 0.000 2.371 43 S HA -0.094 4.376 4.470 0.001 0.000 0.224 43 S C 2.064 176.687 174.600 0.039 0.000 1.029 43 S CA 1.460 59.675 58.200 0.025 0.000 0.978 43 S CB -0.286 62.937 63.200 0.038 0.000 0.833 43 S HN 0.296 nan 8.310 nan 0.000 0.466 44 T N 2.980 117.571 114.554 0.062 0.000 2.684 44 T HA -0.048 4.302 4.350 0.001 0.000 0.267 44 T C 1.756 176.473 174.700 0.029 0.000 1.036 44 T CA 1.063 63.202 62.100 0.064 0.000 1.148 44 T CB -0.497 68.399 68.868 0.047 0.000 0.863 44 T HN 0.215 nan 8.240 nan 0.000 0.436 45 L N 0.368 121.612 121.223 0.034 0.000 1.989 45 L HA -0.109 4.231 4.340 0.001 0.000 0.211 45 L C 2.385 179.252 176.870 -0.005 0.000 1.071 45 L CA 1.315 56.180 54.840 0.042 0.000 0.749 45 L CB -0.338 41.807 42.059 0.143 0.000 0.890 45 L HN 0.212 nan 8.230 nan 0.000 0.431 46 L N -0.056 121.133 121.223 -0.055 0.000 2.079 46 L HA -0.231 4.109 4.340 0.001 0.000 0.210 46 L C 2.661 179.511 176.870 -0.033 0.000 1.081 46 L CA 1.749 56.526 54.840 -0.106 0.000 0.752 46 L CB -0.497 41.480 42.059 -0.137 0.000 0.896 46 L HN 0.169 nan 8.230 nan 0.000 0.433 47 R N -1.464 119.038 120.500 0.003 0.000 2.075 47 R HA -0.098 4.243 4.340 0.001 0.000 0.232 47 R C 2.233 178.549 176.300 0.027 0.000 1.126 47 R CA 1.777 57.893 56.100 0.027 0.000 0.963 47 R CB -0.430 29.903 30.300 0.055 0.000 0.858 47 R HN 0.355 nan 8.270 nan 0.000 0.435 48 M N 0.421 120.034 119.600 0.021 0.000 2.108 48 M HA -0.174 4.306 4.480 0.001 0.000 0.261 48 M C 2.167 178.474 176.300 0.011 0.000 1.066 48 M CA 1.634 56.943 55.300 0.014 0.000 1.107 48 M CB -0.314 32.280 32.600 -0.010 0.000 1.356 48 M HN 0.131 nan 8.290 nan 0.000 0.406 49 I N -0.269 120.304 120.570 0.005 0.000 2.657 49 I HA -0.229 3.941 4.170 0.001 0.000 0.261 49 I C 1.522 177.646 176.117 0.012 0.000 1.212 49 I CA 0.497 61.801 61.300 0.007 0.000 1.453 49 I CB -0.492 37.501 38.000 -0.012 0.000 1.092 49 I HN 0.269 nan 8.210 nan 0.000 0.452 50 A N -0.314 122.514 122.820 0.012 0.000 3.981 50 A HA 0.752 5.073 4.320 0.001 0.000 0.153 50 A C 0.601 178.198 177.584 0.021 0.000 1.090 50 A CA 0.206 52.251 52.037 0.014 0.000 0.990 50 A CB -0.647 18.360 19.000 0.011 0.000 1.553 50 A HN 0.196 nan 8.150 nan 0.000 0.696 51 G N -2.559 106.254 108.800 0.021 0.000 2.849 51 G HA2 0.476 4.436 3.960 0.001 0.000 0.174 51 G HA3 0.476 4.436 3.960 0.001 0.000 0.174 51 G C 0.261 175.184 174.900 0.039 0.000 1.370 51 G CA -0.021 45.096 45.100 0.029 0.000 1.040 51 G HN 1.268 nan 8.290 nan 0.000 0.582 52 L N -2.037 119.211 121.223 0.041 0.000 5.308 52 L HA -0.170 4.170 4.340 0.001 0.000 0.421 52 L C 0.061 176.984 176.870 0.088 0.000 0.927 52 L CA 1.591 56.461 54.840 0.050 0.000 1.529 52 L CB -0.957 41.124 42.059 0.037 0.000 1.599 52 L HN 0.484 nan 8.230 nan 0.000 0.629 53 E N -0.666 119.594 120.200 0.100 0.000 2.304 53 E HA 0.464 4.814 4.350 0.001 0.000 0.277 53 E C -0.079 176.593 176.600 0.119 0.000 0.898 53 E CA 0.162 56.658 56.400 0.159 0.000 0.764 53 E CB 1.347 31.146 29.700 0.166 0.000 1.216 53 E HN 0.134 nan 8.360 nan 0.000 0.419 54 T N 0.537 115.186 114.554 0.159 0.000 2.828 54 T HA 0.535 4.886 4.350 0.001 0.000 0.290 54 T C 0.436 175.141 174.700 0.009 0.000 1.019 54 T CA -0.490 61.666 62.100 0.093 0.000 1.031 54 T CB 0.340 69.291 68.868 0.137 0.000 1.001 54 T HN 0.391 nan 8.240 nan 0.000 0.531 55 I N 2.469 123.032 120.570 -0.010 0.000 2.428 55 I HA 0.165 4.335 4.170 0.001 0.000 0.279 55 I C 1.271 177.352 176.117 -0.060 0.000 1.040 55 I CA -0.698 60.571 61.300 -0.052 0.000 1.171 55 I CB 1.296 39.277 38.000 -0.032 0.000 1.312 55 I HN 0.825 nan 8.210 nan 0.000 0.470 56 T N 2.757 117.246 114.554 -0.108 0.000 2.822 56 T HA -0.073 4.277 4.350 0.001 0.000 0.270 56 T C 0.584 175.246 174.700 -0.064 0.000 1.064 56 T CA 1.228 63.273 62.100 -0.090 0.000 1.131 56 T CB -0.032 68.751 68.868 -0.143 0.000 0.858 56 T HN 0.619 nan 8.240 nan 0.000 0.483 57 S N -1.917 113.742 115.700 -0.069 0.000 2.578 57 S HA 0.580 5.051 4.470 0.001 0.000 0.272 57 S C -0.174 174.388 174.600 -0.064 0.000 1.145 57 S CA -0.577 57.590 58.200 -0.056 0.000 0.835 57 S CB 1.841 65.007 63.200 -0.055 0.000 1.104 57 S HN 0.733 nan 8.310 nan 0.000 0.458 58 G N 1.413 110.175 108.800 -0.063 0.000 2.655 58 G HA2 0.119 4.080 3.960 0.001 0.000 0.680 58 G HA3 0.119 4.080 3.960 0.001 0.000 0.680 58 G C -2.300 172.537 174.900 -0.105 0.000 1.302 58 G CA -0.730 44.318 45.100 -0.088 0.000 0.872 58 G HN 0.691 nan 8.290 nan 0.000 0.540 59 D N -0.494 119.794 120.400 -0.187 0.000 2.342 59 D HA 0.537 5.177 4.640 0.001 0.000 0.243 59 D C -0.598 175.531 176.300 -0.284 0.000 1.019 59 D CA -0.443 53.400 54.000 -0.263 0.000 0.864 59 D CB 2.392 42.874 40.800 -0.531 0.000 1.315 59 D HN 0.488 nan 8.370 nan 0.000 0.468 60 L N 2.281 123.432 121.223 -0.119 0.000 2.384 60 L HA 0.358 4.699 4.340 0.001 0.000 0.261 60 L C -1.264 175.725 176.870 0.199 0.000 1.024 60 L CA -0.383 54.452 54.840 -0.009 0.000 0.899 60 L CB 0.001 42.079 42.059 0.031 0.000 1.243 60 L HN 0.311 nan 8.230 nan 0.000 0.449 61 F N 6.022 125.990 119.950 0.029 0.000 2.515 61 F HA 0.335 4.862 4.527 0.000 0.000 0.353 61 F C 0.362 176.182 175.800 0.032 0.000 1.213 61 F CA -0.694 57.323 58.000 0.028 0.000 1.194 61 F CB 0.295 39.314 39.000 0.031 0.000 1.488 61 F HN 0.296 nan 8.300 nan 0.000 0.619 62 I N 2.767 123.458 120.570 0.203 0.000 2.297 62 I HA 0.285 4.456 4.170 0.001 0.000 0.291 62 I C 0.992 177.153 176.117 0.073 0.000 1.033 62 I CA 0.120 61.490 61.300 0.117 0.000 1.253 62 I CB 0.803 38.851 38.000 0.080 0.000 1.396 62 I HN 0.819 nan 8.210 nan 0.000 0.476 63 G N 4.752 113.590 108.800 0.063 0.000 2.812 63 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 63 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 63 G C 0.597 175.494 174.900 -0.005 0.000 1.275 63 G CA 0.707 45.822 45.100 0.025 0.000 0.769 63 G HN 0.625 nan 8.290 nan 0.000 0.527 64 E N -1.483 118.691 120.200 -0.044 0.000 2.512 64 E HA 0.139 4.490 4.350 0.001 0.000 0.281 64 E C 0.055 176.442 176.600 -0.354 0.000 1.098 64 E CA 0.313 56.623 56.400 -0.150 0.000 2.055 64 E CB -0.144 29.482 29.700 -0.123 0.000 2.653 64 E HN 0.194 nan 8.360 nan 0.000 1.080 65 K N 2.130 122.380 120.400 -0.250 0.000 2.098 65 K HA 0.330 4.650 4.320 0.001 0.000 0.258 65 K C -0.369 176.195 176.600 -0.061 0.000 0.973 65 K CA -0.579 55.528 56.287 -0.299 0.000 0.898 65 K CB 1.210 33.614 32.500 -0.160 0.000 1.057 65 K HN 0.165 nan 8.250 nan 0.000 0.447 66 R N 2.467 123.028 120.500 0.102 0.000 2.715 66 R HA -0.098 4.243 4.340 0.001 0.000 0.266 66 R C -0.157 176.240 176.300 0.161 0.000 0.981 66 R CA 1.310 57.614 56.100 0.341 0.000 1.105 66 R CB 0.195 30.695 30.300 0.333 0.000 0.953 66 R HN 0.745 nan 8.270 nan 0.000 0.432 67 M N 3.216 122.901 119.600 0.143 0.000 4.307 67 M HA 0.071 4.551 4.480 0.001 0.000 0.538 67 M C -0.149 176.188 176.300 0.063 0.000 1.979 67 M CA -0.058 55.291 55.300 0.083 0.000 0.596 67 M CB 0.574 33.217 32.600 0.071 0.000 1.471 67 M HN 0.724 nan 8.290 nan 0.000 0.585 68 N N 0.408 119.145 118.700 0.062 0.000 2.409 68 N HA -0.069 4.671 4.740 0.001 0.000 0.179 68 N C 0.471 176.003 175.510 0.036 0.000 1.032 68 N CA 0.819 53.894 53.050 0.040 0.000 0.898 68 N CB 0.404 38.909 38.487 0.031 0.000 0.971 68 N HN 0.413 nan 8.380 nan 0.000 0.441 69 D N 0.416 120.839 120.400 0.038 0.000 2.392 69 D HA 0.022 4.662 4.640 0.001 0.000 0.206 69 D C 0.162 176.479 176.300 0.029 0.000 1.046 69 D CA 0.329 54.348 54.000 0.032 0.000 0.865 69 D CB 0.328 41.146 40.800 0.031 0.000 0.969 69 D HN 0.030 nan 8.370 nan 0.000 0.509 70 T N 4.337 118.909 114.554 0.030 0.000 2.934 70 T HA 0.094 4.444 4.350 0.001 0.000 0.306 70 T C -2.128 172.585 174.700 0.021 0.000 1.042 70 T CA -0.750 61.364 62.100 0.024 0.000 1.145 70 T CB 1.051 69.933 68.868 0.024 0.000 0.982 70 T HN 0.070 nan 8.240 nan 0.000 0.544 71 P HA 0.157 nan 4.420 nan 0.000 0.269 71 P C -2.188 175.120 177.300 0.014 0.000 1.209 71 P CA -1.573 61.537 63.100 0.017 0.000 0.776 71 P CB 0.389 32.097 31.700 0.013 0.000 0.876 72 P HA -0.259 nan 4.420 nan 0.000 0.218 72 P C 1.420 178.724 177.300 0.006 0.000 1.147 72 P CA 2.278 65.385 63.100 0.012 0.000 0.827 72 P CB -0.270 31.440 31.700 0.015 0.000 0.778 73 A N -0.006 122.818 122.820 0.007 0.000 1.908 73 A HA -0.201 4.120 4.320 0.001 0.000 0.211 73 A C 1.359 178.939 177.584 -0.007 0.000 1.225 73 A CA 1.277 53.315 52.037 0.001 0.000 0.689 73 A CB -1.224 17.777 19.000 0.002 0.000 0.843 73 A HN 0.057 nan 8.150 nan 0.000 0.472 74 E N 0.075 120.271 120.200 -0.007 0.000 2.152 74 E HA 0.352 4.702 4.350 0.001 0.000 0.285 74 E C 0.162 176.758 176.600 -0.006 0.000 1.043 74 E CA -0.167 56.227 56.400 -0.011 0.000 0.839 74 E CB 0.611 30.305 29.700 -0.011 0.000 1.069 74 E HN 0.438 nan 8.360 nan 0.000 0.399 75 R N 1.737 122.230 120.500 -0.011 0.000 2.771 75 R HA 0.137 4.477 4.340 0.001 0.000 0.177 75 R C 0.987 177.279 176.300 -0.013 0.000 0.937 75 R CA 0.723 56.821 56.100 -0.003 0.000 1.536 75 R CB 0.536 30.837 30.300 0.002 0.000 1.696 75 R HN 0.620 nan 8.270 nan 0.000 0.550 76 G N 1.191 109.972 108.800 -0.032 0.000 2.192 76 G HA2 -0.218 3.743 3.960 0.001 0.000 0.193 76 G HA3 -0.218 3.743 3.960 0.001 0.000 0.193 76 G C 0.123 174.977 174.900 -0.078 0.000 0.999 76 G CA 0.110 45.179 45.100 -0.053 0.000 0.659 76 G HN 0.056 nan 8.290 nan 0.000 0.503 77 V N 0.467 120.348 119.914 -0.055 0.000 3.003 77 V HA 0.654 4.774 4.120 0.001 0.000 0.305 77 V C 1.082 177.125 176.094 -0.084 0.000 1.078 77 V CA 0.935 63.201 62.300 -0.056 0.000 1.083 77 V CB 1.650 33.460 31.823 -0.022 0.000 1.039 77 V HN 1.219 nan 8.190 nan 0.000 0.481 78 G N 3.213 111.965 108.800 -0.080 0.000 3.298 78 G HA2 0.421 4.381 3.960 0.001 0.000 0.303 78 G HA3 0.421 4.381 3.960 0.001 0.000 0.303 78 G C -0.617 174.246 174.900 -0.061 0.000 1.668 78 G CA -0.308 44.733 45.100 -0.098 0.000 0.733 78 G HN 0.461 nan 8.290 nan 0.000 0.453 79 M N 1.046 120.585 119.600 -0.103 0.000 2.318 79 M HA 0.643 5.123 4.480 0.001 0.000 0.213 79 M C 0.297 176.255 176.300 -0.569 0.000 0.872 79 M CA -0.106 55.098 55.300 -0.159 0.000 1.879 79 M CB 1.061 33.663 32.600 0.004 0.000 1.114 79 M HN 0.521 nan 8.290 nan 0.000 0.908 80 V N 1.505 121.193 119.914 -0.376 0.000 3.548 80 V HA -0.265 3.856 4.120 0.001 0.000 0.496 80 V C -1.363 174.307 176.094 -0.706 0.000 0.682 80 V CA 0.516 62.583 62.300 -0.388 0.000 2.033 80 V CB -1.785 29.846 31.823 -0.319 0.000 2.463 80 V HN 0.700 nan 8.190 nan 0.000 0.506 81 F N 1.800 121.687 119.950 -0.104 0.000 2.745 81 F HA 0.695 5.222 4.527 0.000 0.000 0.316 81 F C 0.202 175.901 175.800 -0.169 0.000 1.155 81 F CA -0.209 57.722 58.000 -0.116 0.000 0.937 81 F CB 1.475 40.409 39.000 -0.110 0.000 1.361 81 F HN 0.624 nan 8.300 nan 0.000 0.472 82 Q N 1.220 121.102 119.800 0.137 0.000 3.050 82 Q HA -0.162 4.179 4.340 0.001 0.000 0.074 82 Q C -0.371 175.524 176.000 -0.174 0.000 1.613 82 Q CA 0.505 56.295 55.803 -0.022 0.000 0.348 82 Q CB -0.278 28.426 28.738 -0.057 0.000 0.599 82 Q HN 0.786 nan 8.270 nan 0.000 0.321 83 S N 2.607 118.263 115.700 -0.074 0.000 4.620 83 S HA -0.136 4.334 4.470 0.001 0.000 0.552 83 S C -0.618 173.870 174.600 -0.186 0.000 0.994 83 S CA 1.743 59.941 58.200 -0.002 0.000 0.991 83 S CB -0.709 62.575 63.200 0.140 0.000 1.522 83 S HN 1.262 nan 8.310 nan 0.000 0.402 84 Y N -0.529 119.759 120.300 -0.020 0.000 2.772 84 Y HA -0.105 4.445 4.550 0.001 0.000 0.057 84 Y C -0.027 175.831 175.900 -0.069 0.000 1.956 84 Y CA 0.319 58.390 58.100 -0.047 0.000 1.202 84 Y CB -1.473 36.964 38.460 -0.038 0.000 1.862 84 Y HN 1.018 nan 8.280 nan 0.000 0.294 85 A N 4.189 126.946 122.820 -0.106 0.000 2.584 85 A HA 0.487 4.807 4.320 0.001 0.000 0.220 85 A C -0.201 177.238 177.584 -0.241 0.000 1.182 85 A CA -0.198 51.726 52.037 -0.188 0.000 1.043 85 A CB -0.174 18.692 19.000 -0.224 0.000 1.164 85 A HN 0.617 nan 8.150 nan 0.000 0.506 86 L N 0.055 121.182 121.223 -0.160 0.000 2.379 86 L HA 0.443 4.783 4.340 0.001 0.000 0.269 86 L C -0.384 176.360 176.870 -0.211 0.000 1.084 86 L CA -1.024 53.721 54.840 -0.157 0.000 0.802 86 L CB 0.518 42.547 42.059 -0.051 0.000 1.175 86 L HN 0.308 nan 8.230 nan 0.000 0.448 87 Y N 2.108 122.285 120.300 -0.205 0.000 2.539 87 Y HA 0.135 4.686 4.550 0.000 0.000 0.352 87 Y C -1.370 174.424 175.900 -0.176 0.000 1.004 87 Y CA -1.866 56.111 58.100 -0.207 0.000 1.278 87 Y CB 0.103 38.285 38.460 -0.464 0.000 1.136 87 Y HN 0.423 nan 8.280 nan 0.000 0.528 88 P HA -0.225 nan 4.420 nan 0.000 0.224 88 P C 0.927 178.291 177.300 0.107 0.000 1.142 88 P CA 1.787 64.935 63.100 0.079 0.000 0.778 88 P CB 0.066 31.816 31.700 0.083 0.000 0.764 89 H N -2.206 116.907 119.070 0.073 0.000 2.516 89 H HA 0.199 4.756 4.556 0.000 0.000 0.284 89 H C 1.102 176.453 175.328 0.037 0.000 0.999 89 H CA -0.125 55.952 56.048 0.049 0.000 1.303 89 H CB -0.916 28.877 29.762 0.052 0.000 1.452 89 H HN 0.061 nan 8.280 nan 0.000 0.530 90 L N 2.043 122.940 121.223 -0.543 0.000 2.470 90 L HA 0.119 4.459 4.340 0.001 0.000 0.243 90 L C 1.156 177.947 176.870 -0.133 0.000 1.227 90 L CA 0.044 54.696 54.840 -0.315 0.000 0.824 90 L CB 0.510 42.330 42.059 -0.399 0.000 1.175 90 L HN 0.339 nan 8.230 nan 0.000 0.503 91 S N -1.173 114.476 115.700 -0.085 0.000 2.748 91 S HA 0.325 4.795 4.470 0.001 0.000 0.299 91 S C 0.801 175.375 174.600 -0.044 0.000 1.119 91 S CA -0.782 57.390 58.200 -0.047 0.000 0.997 91 S CB 1.351 64.535 63.200 -0.026 0.000 1.223 91 S HN 0.266 nan 8.310 nan 0.000 0.541 92 V N 1.323 121.219 119.914 -0.031 0.000 2.261 92 V HA -0.086 4.034 4.120 0.001 0.000 0.246 92 V C 3.095 179.182 176.094 -0.011 0.000 1.047 92 V CA 2.438 64.723 62.300 -0.024 0.000 1.015 92 V CB -1.699 30.107 31.823 -0.029 0.000 0.642 92 V HN 0.982 nan 8.190 nan 0.000 0.446 93 A N -0.591 122.226 122.820 -0.006 0.000 1.940 93 A HA -0.273 4.047 4.320 0.001 0.000 0.219 93 A C 2.133 179.729 177.584 0.021 0.000 1.176 93 A CA 2.076 54.118 52.037 0.009 0.000 0.631 93 A CB -0.495 18.510 19.000 0.008 0.000 0.814 93 A HN 0.670 nan 8.150 nan 0.000 0.446 94 E N -0.465 119.739 120.200 0.007 0.000 2.072 94 E HA -0.172 4.178 4.350 0.001 0.000 0.191 94 E C 1.864 178.489 176.600 0.042 0.000 0.985 94 E CA 1.325 57.738 56.400 0.023 0.000 0.801 94 E CB -0.213 29.471 29.700 -0.026 0.000 0.750 94 E HN 0.736 nan 8.360 nan 0.000 0.452 95 N N 0.171 118.852 118.700 -0.031 0.000 2.171 95 N HA -0.062 4.678 4.740 0.001 0.000 0.184 95 N C 1.735 177.256 175.510 0.019 0.000 1.021 95 N CA 1.026 54.032 53.050 -0.075 0.000 0.854 95 N CB 0.066 38.517 38.487 -0.060 0.000 0.994 95 N HN 0.062 nan 8.380 nan 0.000 0.426 96 M N -0.121 119.502 119.600 0.039 0.000 2.254 96 M HA -0.020 4.460 4.480 0.001 0.000 0.265 96 M C 0.843 177.199 176.300 0.092 0.000 1.066 96 M CA 0.840 56.175 55.300 0.058 0.000 1.123 96 M CB -0.022 32.603 32.600 0.043 0.000 1.388 96 M HN 0.111 nan 8.290 nan 0.000 0.425 97 S N -0.600 115.162 115.700 0.104 0.000 2.699 97 S HA 0.124 4.595 4.470 0.001 0.000 0.251 97 S C 0.279 174.965 174.600 0.145 0.000 1.179 97 S CA -0.505 57.752 58.200 0.095 0.000 1.200 97 S CB -0.853 62.381 63.200 0.057 0.000 0.848 97 S HN 0.277 nan 8.310 nan 0.000 0.472 98 F N 2.236 122.166 119.950 -0.033 0.000 2.713 98 F HA 0.452 4.979 4.527 0.000 0.000 0.294 98 F C 1.441 177.222 175.800 -0.032 0.000 1.152 98 F CA -1.264 56.709 58.000 -0.044 0.000 1.385 98 F CB 0.043 39.023 39.000 -0.033 0.000 0.981 98 F HN 0.489 nan 8.300 nan 0.000 0.514 99 G N 0.403 109.222 108.800 0.032 0.000 3.882 99 G HA2 0.186 4.146 3.960 0.001 0.000 0.283 99 G HA3 0.186 4.146 3.960 0.001 0.000 0.283 99 G C 0.890 175.751 174.900 -0.065 0.000 1.283 99 G CA 0.007 45.102 45.100 -0.008 0.000 1.402 99 G HN 0.353 nan 8.290 nan 0.000 0.618 100 L N -1.133 120.008 121.223 -0.138 0.000 2.463 100 L HA 0.521 4.861 4.340 0.001 0.000 0.219 100 L C 0.841 177.636 176.870 -0.126 0.000 1.088 100 L CA 0.876 55.629 54.840 -0.144 0.000 0.849 100 L CB 0.283 42.215 42.059 -0.212 0.000 1.012 100 L HN 0.017 nan 8.230 nan 0.000 0.468 101 K N 0.037 120.360 120.400 -0.128 0.000 2.865 101 K HA 0.288 4.608 4.320 0.001 0.000 0.259 101 K C -1.262 175.303 176.600 -0.057 0.000 1.236 101 K CA -0.059 56.174 56.287 -0.089 0.000 1.024 101 K CB 0.890 33.330 32.500 -0.101 0.000 1.344 101 K HN -0.059 nan 8.250 nan 0.000 0.558 102 L N 1.620 122.816 121.223 -0.046 0.000 3.025 102 L HA 0.420 4.760 4.340 0.001 0.000 0.307 102 L C -0.597 176.244 176.870 -0.048 0.000 1.303 102 L CA 0.203 55.023 54.840 -0.033 0.000 0.817 102 L CB 1.254 43.297 42.059 -0.026 0.000 1.227 102 L HN 0.592 nan 8.230 nan 0.000 0.571 103 A N -0.367 122.427 122.820 -0.043 0.000 2.331 103 A HA 0.356 4.676 4.320 0.001 0.000 0.274 103 A C 0.592 178.145 177.584 -0.052 0.000 1.395 103 A CA 0.769 52.779 52.037 -0.044 0.000 0.721 103 A CB -1.853 17.119 19.000 -0.047 0.000 1.160 103 A HN 1.373 nan 8.150 nan 0.000 0.345 104 G N -1.145 107.628 108.800 -0.045 0.000 2.360 104 G HA2 0.836 4.796 3.960 0.001 0.000 0.276 104 G HA3 0.836 4.796 3.960 0.001 0.000 0.276 104 G C -0.504 174.373 174.900 -0.038 0.000 1.256 104 G CA 0.827 45.901 45.100 -0.044 0.000 0.890 104 G HN 2.558 nan 8.290 nan 0.000 0.486 105 A N 0.108 122.906 122.820 -0.035 0.000 2.530 105 A HA 0.759 5.079 4.320 0.001 0.000 0.279 105 A C -0.753 176.814 177.584 -0.029 0.000 1.109 105 A CA -0.444 51.574 52.037 -0.032 0.000 0.763 105 A CB 1.325 20.309 19.000 -0.026 0.000 1.257 105 A HN 0.488 nan 8.150 nan 0.000 0.424 106 K N 1.621 122.002 120.400 -0.032 0.000 2.443 106 K HA 0.513 4.834 4.320 0.001 0.000 0.251 106 K C -0.012 176.570 176.600 -0.029 0.000 0.972 106 K CA -0.662 55.609 56.287 -0.027 0.000 0.833 106 K CB 2.321 34.804 32.500 -0.028 0.000 1.317 106 K HN 0.721 nan 8.250 nan 0.000 0.441 107 K N 1.221 121.608 120.400 -0.023 0.000 3.063 107 K HA 0.088 4.408 4.320 0.001 0.000 0.353 107 K C 0.448 177.030 176.600 -0.029 0.000 1.008 107 K CA 0.299 56.573 56.287 -0.023 0.000 1.228 107 K CB 0.248 32.739 32.500 -0.015 0.000 1.165 107 K HN 0.512 nan 8.250 nan 0.000 0.495 108 E N -0.285 119.900 120.200 -0.025 0.000 2.744 108 E HA 0.035 4.385 4.350 0.001 0.000 0.210 108 E C -0.646 175.942 176.600 -0.020 0.000 0.950 108 E CA 0.041 56.424 56.400 -0.029 0.000 1.282 108 E CB 1.456 31.136 29.700 -0.033 0.000 1.123 108 E HN 0.090 nan 8.360 nan 0.000 0.544 109 V N 2.307 122.213 119.914 -0.013 0.000 2.940 109 V HA 0.086 4.206 4.120 0.001 0.000 0.366 109 V C 0.672 176.765 176.094 -0.002 0.000 1.353 109 V CA -0.114 62.182 62.300 -0.007 0.000 1.232 109 V CB -0.140 31.680 31.823 -0.005 0.000 1.278 109 V HN 0.258 nan 8.190 nan 0.000 0.546 110 I N -0.843 119.725 120.570 -0.003 0.000 3.456 110 I HA 0.074 4.245 4.170 0.001 0.000 0.291 110 I C 1.671 177.794 176.117 0.011 0.000 1.307 110 I CA 1.010 62.312 61.300 0.004 0.000 1.333 110 I CB -1.739 36.262 38.000 0.002 0.000 1.032 110 I HN 0.336 nan 8.210 nan 0.000 0.506 111 N N 1.673 120.378 118.700 0.009 0.000 2.334 111 N HA -0.283 4.458 4.740 0.001 0.000 0.187 111 N C 1.817 177.337 175.510 0.017 0.000 1.016 111 N CA 1.252 54.309 53.050 0.013 0.000 0.879 111 N CB -0.251 38.242 38.487 0.010 0.000 0.965 111 N HN 0.710 nan 8.380 nan 0.000 0.438 112 Q N -0.289 119.520 119.800 0.015 0.000 2.364 112 Q HA -0.132 4.208 4.340 0.001 0.000 0.207 112 Q C 1.731 177.745 176.000 0.023 0.000 0.970 112 Q CA 0.883 56.696 55.803 0.018 0.000 0.888 112 Q CB 0.138 28.885 28.738 0.015 0.000 0.951 112 Q HN 0.596 nan 8.270 nan 0.000 0.469 113 R N -2.290 118.225 120.500 0.026 0.000 2.194 113 R HA 0.106 4.447 4.340 0.001 0.000 0.194 113 R C 1.812 178.135 176.300 0.039 0.000 0.985 113 R CA 0.580 56.700 56.100 0.034 0.000 1.104 113 R CB -0.382 29.940 30.300 0.037 0.000 1.092 113 R HN -0.005 nan 8.270 nan 0.000 0.555 114 V N 2.389 122.324 119.914 0.036 0.000 2.828 114 V HA -0.179 3.941 4.120 0.001 0.000 0.260 114 V C 1.113 177.229 176.094 0.037 0.000 1.101 114 V CA 2.000 64.323 62.300 0.039 0.000 1.123 114 V CB -0.831 31.013 31.823 0.035 0.000 0.704 114 V HN 0.393 nan 8.190 nan 0.000 0.493 115 N N -1.021 117.699 118.700 0.033 0.000 2.409 115 N HA -0.042 4.698 4.740 0.001 0.000 0.174 115 N C 1.828 177.359 175.510 0.036 0.000 1.037 115 N CA 0.316 53.386 53.050 0.032 0.000 0.898 115 N CB 0.014 38.517 38.487 0.027 0.000 1.010 115 N HN 0.382 nan 8.380 nan 0.000 0.445 116 Q N 0.082 119.904 119.800 0.037 0.000 2.302 116 Q HA 0.051 4.392 4.340 0.001 0.000 0.202 116 Q C 1.690 177.717 176.000 0.045 0.000 0.936 116 Q CA 0.521 56.346 55.803 0.038 0.000 0.886 116 Q CB 0.240 29.000 28.738 0.036 0.000 0.986 116 Q HN 0.240 nan 8.270 nan 0.000 0.487 117 V N 0.482 120.425 119.914 0.049 0.000 2.379 117 V HA -0.040 4.080 4.120 0.001 0.000 0.243 117 V C 2.066 178.193 176.094 0.055 0.000 1.035 117 V CA 1.726 64.060 62.300 0.057 0.000 1.035 117 V CB -0.426 31.436 31.823 0.066 0.000 0.673 117 V HN 0.359 nan 8.190 nan 0.000 0.457 118 A N -0.461 122.390 122.820 0.051 0.000 2.186 118 A HA -0.215 4.105 4.320 0.001 0.000 0.219 118 A C 1.978 179.596 177.584 0.057 0.000 1.159 118 A CA 1.980 54.048 52.037 0.050 0.000 0.680 118 A CB -0.504 18.521 19.000 0.041 0.000 0.787 118 A HN 0.722 nan 8.150 nan 0.000 0.467 119 E N 0.005 120.237 120.200 0.053 0.000 2.033 119 E HA -0.100 4.250 4.350 0.001 0.000 0.189 119 E C 1.987 178.618 176.600 0.050 0.000 0.979 119 E CA 1.688 58.119 56.400 0.052 0.000 0.802 119 E CB -0.370 29.355 29.700 0.043 0.000 0.763 119 E HN 0.482 nan 8.360 nan 0.000 0.449 120 V N -0.385 119.557 119.914 0.048 0.000 2.515 120 V HA -0.095 4.026 4.120 0.001 0.000 0.250 120 V C 1.983 178.107 176.094 0.051 0.000 1.058 120 V CA 1.490 63.818 62.300 0.046 0.000 1.064 120 V CB -0.756 31.094 31.823 0.046 0.000 0.675 120 V HN 0.225 nan 8.190 nan 0.000 0.461 121 L N -0.098 121.159 121.223 0.057 0.000 2.627 121 L HA 0.231 4.571 4.340 0.001 0.000 0.232 121 L C 1.097 178.009 176.870 0.069 0.000 1.150 121 L CA 0.220 55.096 54.840 0.061 0.000 0.917 121 L CB -1.061 41.036 42.059 0.063 0.000 1.104 121 L HN 0.447 nan 8.230 nan 0.000 0.445 122 Q N 0.131 119.974 119.800 0.072 0.000 2.439 122 Q HA -0.220 4.120 4.340 0.001 0.000 0.325 122 Q C 0.427 176.515 176.000 0.147 0.000 1.372 122 Q CA 0.181 56.042 55.803 0.095 0.000 0.909 122 Q CB -0.737 28.047 28.738 0.077 0.000 1.167 122 Q HN 0.324 nan 8.270 nan 0.000 0.418 123 L N -1.875 119.419 121.223 0.117 0.000 2.858 123 L HA 0.288 4.629 4.340 0.001 0.000 0.251 123 L C 1.756 178.664 176.870 0.064 0.000 1.149 123 L CA 1.141 56.024 54.840 0.072 0.000 0.955 123 L CB 0.100 42.179 42.059 0.033 0.000 1.289 123 L HN 0.398 nan 8.230 nan 0.000 0.542 124 A N 0.295 123.195 122.820 0.134 0.000 1.869 124 A HA -0.273 4.048 4.320 0.001 0.000 0.218 124 A C 1.903 179.555 177.584 0.114 0.000 1.203 124 A CA 2.273 54.377 52.037 0.113 0.000 0.638 124 A CB -0.968 18.102 19.000 0.116 0.000 0.831 124 A HN 0.668 nan 8.150 nan 0.000 0.450 125 H N -0.763 118.317 119.070 0.016 0.000 2.574 125 H HA 0.317 4.873 4.556 0.001 0.000 0.277 125 H C 0.524 175.861 175.328 0.014 0.000 1.058 125 H CA 0.698 56.754 56.048 0.014 0.000 1.171 125 H CB -0.556 29.214 29.762 0.013 0.000 1.304 125 H HN 0.466 nan 8.280 nan 0.000 0.620 126 L N 0.552 121.598 121.223 -0.296 0.000 3.333 126 L HA 0.170 4.510 4.340 0.001 0.000 0.299 126 L C 1.575 178.375 176.870 -0.117 0.000 1.256 126 L CA -0.088 54.582 54.840 -0.283 0.000 1.037 126 L CB 0.448 42.291 42.059 -0.361 0.000 1.423 126 L HN 0.077 nan 8.230 nan 0.000 0.605 127 L N 0.066 121.252 121.223 -0.062 0.000 2.046 127 L HA -0.149 4.191 4.340 0.001 0.000 0.208 127 L C 1.356 178.212 176.870 -0.024 0.000 1.077 127 L CA 1.356 56.181 54.840 -0.026 0.000 0.747 127 L CB -0.173 41.884 42.059 -0.003 0.000 0.896 127 L HN 0.343 nan 8.230 nan 0.000 0.432 128 D N -0.477 119.909 120.400 -0.023 0.000 2.319 128 D HA 0.026 4.667 4.640 0.001 0.000 0.230 128 D C 0.709 176.995 176.300 -0.022 0.000 1.094 128 D CA 0.221 54.211 54.000 -0.016 0.000 0.856 128 D CB 0.194 40.989 40.800 -0.007 0.000 0.915 128 D HN 0.108 nan 8.370 nan 0.000 0.517 129 R N 1.878 122.356 120.500 -0.036 0.000 2.560 129 R HA 0.193 4.534 4.340 0.001 0.000 0.270 129 R C 0.771 177.054 176.300 -0.028 0.000 1.074 129 R CA -0.263 55.814 56.100 -0.037 0.000 1.140 129 R CB 1.055 31.318 30.300 -0.061 0.000 1.073 129 R HN -0.032 nan 8.270 nan 0.000 0.527 130 K N 2.090 122.478 120.400 -0.021 0.000 2.164 130 K HA 0.348 4.668 4.320 0.001 0.000 0.258 130 K C -2.232 174.361 176.600 -0.012 0.000 0.951 130 K CA -2.164 54.113 56.287 -0.016 0.000 0.844 130 K CB 1.125 33.622 32.500 -0.005 0.000 1.099 130 K HN 0.099 nan 8.250 nan 0.000 0.435 131 P HA -0.264 nan 4.420 nan 0.000 0.216 131 P C 1.053 178.355 177.300 0.003 0.000 1.154 131 P CA 1.571 64.670 63.100 -0.001 0.000 0.865 131 P CB 0.163 31.865 31.700 0.003 0.000 0.789 132 K N 0.285 120.686 120.400 0.001 0.000 2.519 132 K HA -0.076 4.244 4.320 0.001 0.000 0.196 132 K C 1.124 177.723 176.600 -0.003 0.000 1.041 132 K CA 1.231 57.517 56.287 -0.002 0.000 0.954 132 K CB -0.456 32.043 32.500 -0.002 0.000 0.774 132 K HN 0.076 nan 8.250 nan 0.000 0.480 133 A N 0.925 123.743 122.820 -0.004 0.000 2.535 133 A HA 0.327 4.647 4.320 0.001 0.000 0.273 133 A C 0.120 177.699 177.584 -0.008 0.000 1.267 133 A CA -0.495 51.538 52.037 -0.005 0.000 0.940 133 A CB 0.287 19.281 19.000 -0.009 0.000 1.101 133 A HN 0.158 nan 8.150 nan 0.000 0.521 134 L N 0.904 122.126 121.223 -0.002 0.000 2.342 134 L HA 0.439 4.780 4.340 0.001 0.000 0.271 134 L C 0.567 177.446 176.870 0.015 0.000 1.008 134 L CA -0.803 54.037 54.840 0.001 0.000 0.818 134 L CB 2.207 44.266 42.059 -0.000 0.000 1.296 134 L HN 0.341 nan 8.230 nan 0.000 0.427 135 S N 0.510 116.222 115.700 0.021 0.000 2.614 135 S HA 0.196 4.666 4.470 0.001 0.000 0.265 135 S C 1.266 175.890 174.600 0.040 0.000 1.303 135 S CA -0.089 58.128 58.200 0.029 0.000 1.000 135 S CB 1.413 64.632 63.200 0.032 0.000 0.935 135 S HN 0.820 nan 8.310 nan 0.000 0.551 136 G N 1.170 109.998 108.800 0.046 0.000 2.556 136 G HA2 -0.163 3.797 3.960 0.001 0.000 0.220 136 G HA3 -0.163 3.797 3.960 0.001 0.000 0.220 136 G C 1.365 176.301 174.900 0.059 0.000 1.156 136 G CA 0.852 45.991 45.100 0.065 0.000 0.766 136 G HN 1.063 nan 8.290 nan 0.000 0.583 137 G N -0.243 108.586 108.800 0.049 0.000 2.408 137 G HA2 -0.114 3.847 3.960 0.001 0.000 0.217 137 G HA3 -0.114 3.847 3.960 0.001 0.000 0.217 137 G C 1.826 176.754 174.900 0.046 0.000 1.150 137 G CA 1.139 46.267 45.100 0.046 0.000 0.776 137 G HN 0.530 nan 8.290 nan 0.000 0.542 138 Q N -0.284 119.541 119.800 0.042 0.000 2.020 138 Q HA 0.042 4.382 4.340 0.001 0.000 0.198 138 Q C 2.827 178.847 176.000 0.033 0.000 0.974 138 Q CA 0.736 56.559 55.803 0.034 0.000 0.829 138 Q CB -0.127 28.623 28.738 0.020 0.000 0.894 138 Q HN 0.339 nan 8.270 nan 0.000 0.433 139 R N 0.404 120.927 120.500 0.038 0.000 2.096 139 R HA -0.253 4.088 4.340 0.001 0.000 0.240 139 R C 2.375 178.701 176.300 0.043 0.000 1.139 139 R CA 1.794 57.920 56.100 0.042 0.000 0.952 139 R CB -0.276 30.066 30.300 0.070 0.000 0.854 139 R HN 0.172 nan 8.270 nan 0.000 0.436 140 Q N 0.950 120.781 119.800 0.051 0.000 2.096 140 Q HA -0.213 4.127 4.340 0.001 0.000 0.208 140 Q C 1.878 177.920 176.000 0.070 0.000 0.993 140 Q CA 1.990 57.826 55.803 0.055 0.000 0.862 140 Q CB -0.085 28.682 28.738 0.049 0.000 0.915 140 Q HN 0.218 nan 8.270 nan 0.000 0.416 141 R N -1.136 119.401 120.500 0.062 0.000 2.115 141 R HA -0.021 4.319 4.340 0.001 0.000 0.230 141 R C 2.334 178.674 176.300 0.067 0.000 1.111 141 R CA 1.113 57.255 56.100 0.070 0.000 0.976 141 R CB -0.425 29.912 30.300 0.060 0.000 0.870 141 R HN 0.115 nan 8.270 nan 0.000 0.445 142 V N 1.113 121.055 119.914 0.045 0.000 2.287 142 V HA -0.287 3.833 4.120 0.001 0.000 0.248 142 V C 2.394 178.506 176.094 0.031 0.000 1.053 142 V CA 2.066 64.385 62.300 0.031 0.000 1.027 142 V CB -0.856 30.974 31.823 0.012 0.000 0.646 142 V HN 0.450 nan 8.190 nan 0.000 0.447 143 A N -0.321 122.516 122.820 0.028 0.000 1.986 143 A HA -0.225 4.096 4.320 0.001 0.000 0.220 143 A C 2.161 179.767 177.584 0.037 0.000 1.171 143 A CA 2.171 54.209 52.037 0.001 0.000 0.640 143 A CB -0.602 18.408 19.000 0.016 0.000 0.811 143 A HN 0.566 nan 8.150 nan 0.000 0.451 144 I N -0.851 119.808 120.570 0.148 0.000 2.406 144 I HA -0.113 4.057 4.170 0.001 0.000 0.249 144 I C 2.666 178.879 176.117 0.160 0.000 1.122 144 I CA 0.849 62.296 61.300 0.245 0.000 1.431 144 I CB -0.603 37.529 38.000 0.219 0.000 1.087 144 I HN 0.393 nan 8.210 nan 0.000 0.424 145 G N 1.023 109.885 108.800 0.104 0.000 2.418 145 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 145 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 145 G C 1.752 176.701 174.900 0.082 0.000 1.158 145 G CA 0.681 45.835 45.100 0.090 0.000 0.771 145 G HN 0.300 nan 8.290 nan 0.000 0.545 146 R N -0.107 120.422 120.500 0.049 0.000 2.133 146 R HA -0.124 4.216 4.340 0.001 0.000 0.247 146 R C 2.200 178.522 176.300 0.037 0.000 1.151 146 R CA 2.082 58.203 56.100 0.034 0.000 0.971 146 R CB -0.497 29.791 30.300 -0.020 0.000 0.866 146 R HN 0.346 nan 8.270 nan 0.000 0.447 147 T N 0.800 115.381 114.554 0.044 0.000 3.009 147 T HA 0.112 4.462 4.350 0.001 0.000 0.258 147 T C 1.653 176.500 174.700 0.245 0.000 1.063 147 T CA 0.539 62.699 62.100 0.099 0.000 1.139 147 T CB 0.112 69.062 68.868 0.137 0.000 0.890 147 T HN 0.163 nan 8.240 nan 0.000 0.471 148 L N 0.913 122.287 121.223 0.251 0.000 2.376 148 L HA 0.032 4.372 4.340 0.001 0.000 0.219 148 L C 2.327 179.313 176.870 0.193 0.000 1.133 148 L CA 0.538 55.547 54.840 0.283 0.000 0.816 148 L CB -0.432 41.736 42.059 0.181 0.000 0.933 148 L HN 0.176 nan 8.230 nan 0.000 0.449 149 V N -0.043 119.949 119.914 0.129 0.000 2.379 149 V HA -0.106 4.014 4.120 0.001 0.000 0.243 149 V C 2.707 178.838 176.094 0.061 0.000 1.035 149 V CA 1.515 63.867 62.300 0.087 0.000 1.035 149 V CB -0.480 31.385 31.823 0.071 0.000 0.673 149 V HN 0.416 nan 8.190 nan 0.000 0.457 150 A N -0.968 121.878 122.820 0.043 0.000 1.978 150 A HA -0.209 4.112 4.320 0.001 0.000 0.220 150 A C 1.142 178.700 177.584 -0.043 0.000 1.170 150 A CA 1.271 53.304 52.037 -0.007 0.000 0.636 150 A CB -0.446 18.538 19.000 -0.028 0.000 0.810 150 A HN 0.683 nan 8.150 nan 0.000 0.448 151 E N -1.472 118.710 120.200 -0.029 0.000 2.252 151 E HA -0.156 4.194 4.350 0.001 0.000 0.218 151 E C -2.080 174.335 176.600 -0.309 0.000 1.253 151 E CA 0.195 56.548 56.400 -0.079 0.000 0.705 151 E CB -1.859 27.863 29.700 0.037 0.000 1.172 151 E HN 0.498 nan 8.360 nan 0.000 0.369 152 P HA -0.112 nan 4.420 nan 0.000 0.273 152 P C 0.976 178.012 177.300 -0.441 0.000 1.252 152 P CA 0.537 63.360 63.100 -0.462 0.000 0.809 152 P CB 0.481 31.884 31.700 -0.495 0.000 1.017 153 S N -1.950 113.601 115.700 -0.248 0.000 2.501 153 S HA 0.108 4.578 4.470 0.001 0.000 0.220 153 S C 0.424 174.966 174.600 -0.097 0.000 0.997 153 S CA 0.245 58.366 58.200 -0.132 0.000 0.919 153 S CB -0.182 62.977 63.200 -0.068 0.000 0.778 153 S HN 0.192 nan 8.310 nan 0.000 0.523 154 V N 2.502 122.321 119.914 -0.158 0.000 2.559 154 V HA 0.440 4.560 4.120 0.001 0.000 0.289 154 V C -1.313 174.747 176.094 -0.057 0.000 1.036 154 V CA -0.891 61.390 62.300 -0.031 0.000 0.887 154 V CB 0.899 32.729 31.823 0.012 0.000 1.022 154 V HN 0.307 nan 8.190 nan 0.000 0.442 155 F N 4.600 124.555 119.950 0.009 0.000 2.389 155 F HA 0.564 5.091 4.527 0.001 0.000 0.337 155 F C 0.556 176.374 175.800 0.030 0.000 1.112 155 F CA -0.734 57.289 58.000 0.039 0.000 1.192 155 F CB 0.842 39.866 39.000 0.040 0.000 1.185 155 F HN 0.226 nan 8.300 nan 0.000 0.552 156 L N 4.710 126.103 121.223 0.284 0.000 2.488 156 L HA 0.361 4.702 4.340 0.001 0.000 0.250 156 L C -1.091 175.897 176.870 0.196 0.000 1.280 156 L CA -0.343 54.590 54.840 0.154 0.000 0.929 156 L CB 0.379 42.498 42.059 0.100 0.000 1.200 156 L HN 0.457 nan 8.230 nan 0.000 0.495 157 L N 1.914 123.079 121.223 -0.096 0.000 2.380 157 L HA 0.286 4.626 4.340 0.001 0.000 0.273 157 L C 0.484 176.887 176.870 -0.779 0.000 1.138 157 L CA 0.342 54.729 54.840 -0.755 0.000 0.832 157 L CB 0.695 42.328 42.059 -0.711 0.000 1.124 157 L HN 0.396 nan 8.230 nan 0.000 0.454 158 D N 4.063 123.874 120.400 -0.982 0.000 2.404 158 D HA 0.094 4.734 4.640 0.001 0.000 0.267 158 D C -0.118 175.876 176.300 -0.510 0.000 1.194 158 D CA -0.394 53.285 54.000 -0.534 0.000 0.910 158 D CB 0.706 41.377 40.800 -0.216 0.000 1.090 158 D HN 0.596 nan 8.370 nan 0.000 0.511 159 E N 2.438 122.308 120.200 -0.551 0.000 2.320 159 E HA -0.155 4.195 4.350 0.001 0.000 0.234 159 E C -1.828 174.571 176.600 -0.335 0.000 1.183 159 E CA 0.505 56.693 56.400 -0.353 0.000 0.713 159 E CB -0.587 29.005 29.700 -0.180 0.000 1.226 159 E HN 0.429 nan 8.360 nan 0.000 0.382 160 P HA -0.138 nan 4.420 nan 0.000 0.222 160 P C 1.149 178.382 177.300 -0.112 0.000 1.147 160 P CA 0.931 63.818 63.100 -0.356 0.000 0.790 160 P CB 0.130 31.519 31.700 -0.518 0.000 0.780 161 L N -0.231 120.955 121.223 -0.061 0.000 2.628 161 L HA 0.110 4.451 4.340 0.001 0.000 0.229 161 L C 1.393 178.276 176.870 0.022 0.000 1.137 161 L CA -0.178 54.675 54.840 0.021 0.000 0.909 161 L CB -0.408 41.701 42.059 0.083 0.000 1.137 161 L HN -0.004 nan 8.230 nan 0.000 0.470 162 S N -0.682 115.020 115.700 0.003 0.000 2.587 162 S HA 0.015 4.486 4.470 0.001 0.000 0.260 162 S C 0.794 175.411 174.600 0.027 0.000 1.353 162 S CA -0.041 58.171 58.200 0.019 0.000 0.995 162 S CB 0.511 63.719 63.200 0.013 0.000 0.912 162 S HN 0.492 nan 8.310 nan 0.000 0.568 163 N N -1.275 117.445 118.700 0.033 0.000 2.753 163 N HA -0.136 4.604 4.740 0.001 0.000 0.251 163 N C -1.152 174.378 175.510 0.034 0.000 1.097 163 N CA 1.239 54.310 53.050 0.035 0.000 0.786 163 N CB -1.715 36.797 38.487 0.042 0.000 1.137 163 N HN 0.633 nan 8.380 nan 0.000 0.566 164 L N 0.960 122.202 121.223 0.032 0.000 2.341 164 L HA 0.371 4.711 4.340 0.001 0.000 0.278 164 L C 0.469 177.353 176.870 0.025 0.000 1.005 164 L CA -1.128 53.731 54.840 0.031 0.000 0.818 164 L CB 1.228 43.307 42.059 0.033 0.000 1.259 164 L HN 0.134 nan 8.230 nan 0.000 0.418 165 D N 2.176 122.589 120.400 0.022 0.000 2.364 165 D HA -0.028 4.612 4.640 0.001 0.000 0.236 165 D C 0.946 177.254 176.300 0.013 0.000 1.221 165 D CA 0.094 54.104 54.000 0.016 0.000 0.891 165 D CB 1.438 42.247 40.800 0.014 0.000 1.190 165 D HN 0.598 nan 8.370 nan 0.000 0.449 166 A N 1.867 124.691 122.820 0.007 0.000 1.873 166 A HA -0.123 4.197 4.320 0.001 0.000 0.218 166 A C 2.338 179.923 177.584 0.001 0.000 1.193 166 A CA 3.020 55.058 52.037 0.002 0.000 0.629 166 A CB -1.255 17.742 19.000 -0.004 0.000 0.826 166 A HN 0.786 nan 8.150 nan 0.000 0.447 167 A N -0.714 122.107 122.820 0.001 0.000 1.873 167 A HA -0.133 4.187 4.320 0.001 0.000 0.218 167 A C 2.183 179.771 177.584 0.006 0.000 1.193 167 A CA 2.018 54.056 52.037 0.001 0.000 0.629 167 A CB -0.777 18.224 19.000 0.001 0.000 0.826 167 A HN 0.760 nan 8.150 nan 0.000 0.447 168 L N -0.247 120.983 121.223 0.012 0.000 2.046 168 L HA -0.112 4.228 4.340 0.001 0.000 0.208 168 L C 2.463 179.345 176.870 0.020 0.000 1.077 168 L CA 2.488 57.339 54.840 0.019 0.000 0.747 168 L CB -0.694 41.380 42.059 0.025 0.000 0.896 168 L HN 0.489 nan 8.230 nan 0.000 0.432 169 R N -1.393 119.118 120.500 0.019 0.000 2.152 169 R HA -0.118 4.222 4.340 0.001 0.000 0.232 169 R C 1.979 178.286 176.300 0.011 0.000 1.117 169 R CA 1.479 57.591 56.100 0.021 0.000 0.981 169 R CB -0.183 30.128 30.300 0.019 0.000 0.870 169 R HN 0.349 nan 8.270 nan 0.000 0.451 170 V N 0.613 120.529 119.914 0.002 0.000 2.323 170 V HA -0.206 3.914 4.120 0.001 0.000 0.244 170 V C 2.193 178.285 176.094 -0.003 0.000 1.041 170 V CA 1.734 64.028 62.300 -0.009 0.000 1.025 170 V CB -0.416 31.399 31.823 -0.013 0.000 0.656 170 V HN 0.426 nan 8.190 nan 0.000 0.451 171 Q N -0.890 118.913 119.800 0.005 0.000 2.077 171 Q HA -0.242 4.098 4.340 0.001 0.000 0.206 171 Q C 2.318 178.329 176.000 0.017 0.000 0.989 171 Q CA 1.637 57.446 55.803 0.010 0.000 0.853 171 Q CB -0.252 28.495 28.738 0.015 0.000 0.907 171 Q HN 0.432 nan 8.270 nan 0.000 0.418 172 M N -0.007 119.608 119.600 0.025 0.000 2.213 172 M HA -0.134 4.347 4.480 0.001 0.000 0.263 172 M C 1.878 178.200 176.300 0.037 0.000 1.062 172 M CA 1.516 56.839 55.300 0.038 0.000 1.105 172 M CB -0.761 31.869 32.600 0.050 0.000 1.385 172 M HN 0.156 nan 8.290 nan 0.000 0.417 173 R N -0.037 120.472 120.500 0.015 0.000 2.092 173 R HA -0.028 4.312 4.340 0.001 0.000 0.231 173 R C 2.234 178.527 176.300 -0.012 0.000 1.119 173 R CA 1.112 57.204 56.100 -0.013 0.000 0.970 173 R CB -0.326 29.943 30.300 -0.052 0.000 0.864 173 R HN 0.327 nan 8.270 nan 0.000 0.440 174 I N 0.780 121.347 120.570 -0.005 0.000 2.179 174 I HA -0.258 3.912 4.170 0.001 0.000 0.242 174 I C 2.219 178.349 176.117 0.022 0.000 1.088 174 I CA 1.177 62.478 61.300 0.001 0.000 1.357 174 I CB -0.225 37.776 38.000 0.002 0.000 1.051 174 I HN 0.134 nan 8.210 nan 0.000 0.409 175 E N 0.842 121.059 120.200 0.028 0.000 2.058 175 E HA -0.191 4.159 4.350 0.001 0.000 0.194 175 E C 2.262 178.889 176.600 0.045 0.000 0.997 175 E CA 1.377 57.800 56.400 0.037 0.000 0.801 175 E CB -0.317 29.406 29.700 0.039 0.000 0.746 175 E HN 0.521 nan 8.360 nan 0.000 0.450 176 I N 0.706 121.309 120.570 0.056 0.000 2.361 176 I HA -0.230 3.940 4.170 0.001 0.000 0.251 176 I C 2.550 178.745 176.117 0.130 0.000 1.133 176 I CA 0.846 62.191 61.300 0.076 0.000 1.413 176 I CB -0.183 37.897 38.000 0.134 0.000 1.073 176 I HN 0.030 nan 8.210 nan 0.000 0.424 177 S N 0.618 116.385 115.700 0.111 0.000 2.387 177 S HA -0.113 4.357 4.470 0.001 0.000 0.226 177 S C 2.124 176.814 174.600 0.150 0.000 1.026 177 S CA 1.104 59.386 58.200 0.137 0.000 0.972 177 S CB -0.054 63.166 63.200 0.032 0.000 0.814 177 S HN 0.345 nan 8.310 nan 0.000 0.477 178 R N 0.325 120.879 120.500 0.091 0.000 2.073 178 R HA 0.125 4.465 4.340 0.001 0.000 0.229 178 R C 2.283 178.625 176.300 0.069 0.000 1.120 178 R CA 1.248 57.392 56.100 0.074 0.000 0.967 178 R CB -0.496 29.832 30.300 0.048 0.000 0.862 178 R HN 0.397 nan 8.270 nan 0.000 0.436 179 L N 0.836 122.089 121.223 0.051 0.000 2.549 179 L HA -0.154 4.186 4.340 0.001 0.000 0.230 179 L C 2.035 178.908 176.870 0.004 0.000 1.162 179 L CA 1.188 56.032 54.840 0.007 0.000 0.834 179 L CB -0.212 41.811 42.059 -0.060 0.000 0.947 179 L HN 0.309 nan 8.230 nan 0.000 0.452 180 H N 0.629 119.681 119.070 -0.030 0.000 2.681 180 H HA 0.017 4.573 4.556 0.000 0.000 0.268 180 H C 1.329 176.682 175.328 0.041 0.000 0.967 180 H CA 0.698 56.734 56.048 -0.020 0.000 1.233 180 H CB 0.479 30.257 29.762 0.026 0.000 1.445 180 H HN 0.483 nan 8.280 nan 0.000 0.494 181 K N 0.262 120.710 120.400 0.080 0.000 2.520 181 K HA 0.150 4.470 4.320 0.001 0.000 0.205 181 K C 1.443 178.043 176.600 0.001 0.000 1.035 181 K CA -0.212 56.096 56.287 0.034 0.000 1.188 181 K CB 0.866 33.428 32.500 0.104 0.000 0.894 181 K HN 0.063 nan 8.250 nan 0.000 0.497 182 R N 0.371 120.862 120.500 -0.016 0.000 3.199 182 R HA 0.258 4.598 4.340 0.001 0.000 0.158 182 R C 1.568 177.865 176.300 -0.006 0.000 1.302 182 R CA -0.179 55.922 56.100 0.001 0.000 1.139 182 R CB -0.069 30.245 30.300 0.023 0.000 1.304 182 R HN 0.178 nan 8.270 nan 0.000 0.483 183 L N 1.342 122.572 121.223 0.012 0.000 2.353 183 L HA 0.030 4.370 4.340 0.001 0.000 0.220 183 L C 1.298 178.168 176.870 -0.001 0.000 1.133 183 L CA 1.206 56.071 54.840 0.041 0.000 0.798 183 L CB -0.520 41.622 42.059 0.137 0.000 0.922 183 L HN 0.817 nan 8.230 nan 0.000 0.445 184 G N 0.181 108.924 108.800 -0.094 0.000 2.225 184 G HA2 -0.315 3.645 3.960 0.001 0.000 0.272 184 G HA3 -0.315 3.645 3.960 0.001 0.000 0.272 184 G C 0.629 175.469 174.900 -0.100 0.000 0.996 184 G CA 0.362 45.366 45.100 -0.161 0.000 0.710 184 G HN 0.254 nan 8.290 nan 0.000 0.522 185 R N -0.189 120.310 120.500 -0.001 0.000 2.840 185 R HA 0.393 4.733 4.340 0.001 0.000 0.282 185 R C 0.486 176.852 176.300 0.110 0.000 1.133 185 R CA 0.158 56.320 56.100 0.103 0.000 1.208 185 R CB -0.592 29.878 30.300 0.282 0.000 1.160 185 R HN 0.157 nan 8.270 nan 0.000 0.576 186 T N 1.938 116.583 114.554 0.152 0.000 2.837 186 T HA 0.464 4.814 4.350 0.001 0.000 0.285 186 T C 0.264 175.066 174.700 0.170 0.000 0.984 186 T CA -0.279 61.913 62.100 0.155 0.000 1.049 186 T CB 0.680 69.623 68.868 0.126 0.000 0.947 186 T HN 0.213 nan 8.240 nan 0.000 0.472 187 M N 3.819 123.456 119.600 0.061 0.000 2.321 187 M HA 0.514 4.995 4.480 0.001 0.000 0.315 187 M C -0.864 175.419 176.300 -0.027 0.000 1.052 187 M CA -0.609 54.631 55.300 -0.101 0.000 0.936 187 M CB 2.171 34.348 32.600 -0.705 0.000 1.639 187 M HN 0.387 nan 8.290 nan 0.000 0.433 188 I N 3.126 123.707 120.570 0.018 0.000 2.502 188 I HA 0.287 4.457 4.170 0.001 0.000 0.276 188 I C -1.314 174.805 176.117 0.004 0.000 1.057 188 I CA -0.551 60.752 61.300 0.005 0.000 1.163 188 I CB 0.760 38.691 38.000 -0.115 0.000 1.288 188 I HN 0.620 nan 8.210 nan 0.000 0.479 189 Y N 5.747 126.057 120.300 0.017 0.000 2.310 189 Y HA 0.544 5.094 4.550 0.000 0.000 0.326 189 Y C -0.380 175.519 175.900 -0.002 0.000 1.151 189 Y CA -0.239 57.882 58.100 0.036 0.000 1.195 189 Y CB 1.448 40.078 38.460 0.283 0.000 1.210 189 Y HN 0.167 nan 8.280 nan 0.000 0.483 190 V N 5.326 125.175 119.914 -0.108 0.000 2.483 190 V HA 0.504 4.624 4.120 0.001 0.000 0.297 190 V C -0.332 175.722 176.094 -0.068 0.000 1.027 190 V CA -0.372 61.907 62.300 -0.035 0.000 0.855 190 V CB 1.699 33.431 31.823 -0.150 0.000 0.995 190 V HN 0.894 nan 8.190 nan 0.000 0.424 191 T N 2.307 116.896 114.554 0.058 0.000 2.816 191 T HA 0.488 4.839 4.350 0.001 0.000 0.299 191 T C -0.240 174.441 174.700 -0.032 0.000 1.230 191 T CA -0.293 61.822 62.100 0.026 0.000 1.007 191 T CB 1.798 70.824 68.868 0.264 0.000 1.289 191 T HN 0.688 nan 8.240 nan 0.000 0.508 192 H N 0.070 119.213 119.070 0.121 0.000 3.058 192 H HA 0.312 4.868 4.556 0.000 0.000 0.258 192 H C -0.003 175.359 175.328 0.056 0.000 1.015 192 H CA -0.118 55.994 56.048 0.106 0.000 1.210 192 H CB 0.527 30.337 29.762 0.081 0.000 1.481 192 H HN 0.508 nan 8.280 nan 0.000 0.492 193 D N 2.017 122.516 120.400 0.165 0.000 2.342 193 D HA -0.022 4.618 4.640 0.001 0.000 0.260 193 D C 0.925 177.254 176.300 0.048 0.000 1.278 193 D CA 0.229 54.278 54.000 0.081 0.000 0.910 193 D CB 0.924 41.764 40.800 0.067 0.000 1.079 193 D HN 0.326 nan 8.370 nan 0.000 0.496 194 Q N 2.356 122.163 119.800 0.011 0.000 2.172 194 Q HA -0.065 4.276 4.340 0.001 0.000 0.200 194 Q C 1.992 177.960 176.000 -0.052 0.000 0.964 194 Q CA 0.703 56.498 55.803 -0.013 0.000 0.855 194 Q CB 0.353 29.063 28.738 -0.045 0.000 0.918 194 Q HN 0.435 nan 8.270 nan 0.000 0.444 195 V N 1.407 121.283 119.914 -0.063 0.000 2.343 195 V HA -0.268 3.852 4.120 0.001 0.000 0.247 195 V C 2.133 178.162 176.094 -0.107 0.000 1.051 195 V CA 1.915 64.162 62.300 -0.089 0.000 1.036 195 V CB -0.437 31.340 31.823 -0.078 0.000 0.654 195 V HN 0.370 nan 8.190 nan 0.000 0.451 196 E N -0.148 119.998 120.200 -0.090 0.000 2.038 196 E HA -0.247 4.103 4.350 0.001 0.000 0.195 196 E C 2.327 178.795 176.600 -0.220 0.000 1.000 196 E CA 1.423 57.739 56.400 -0.141 0.000 0.803 196 E CB -0.325 29.331 29.700 -0.074 0.000 0.750 196 E HN 0.569 nan 8.360 nan 0.000 0.448 197 A N 1.173 123.907 122.820 -0.145 0.000 1.884 197 A HA -0.275 4.045 4.320 0.001 0.000 0.219 197 A C 2.181 179.648 177.584 -0.195 0.000 1.197 197 A CA 2.288 54.234 52.037 -0.150 0.000 0.637 197 A CB -0.608 18.376 19.000 -0.027 0.000 0.827 197 A HN 0.270 nan 8.150 nan 0.000 0.450 198 M N -0.645 118.862 119.600 -0.154 0.000 2.213 198 M HA -0.102 4.378 4.480 0.001 0.000 0.263 198 M C 2.030 178.210 176.300 -0.199 0.000 1.062 198 M CA 2.000 57.204 55.300 -0.161 0.000 1.105 198 M CB -1.820 30.686 32.600 -0.158 0.000 1.385 198 M HN 0.466 nan 8.290 nan 0.000 0.417 199 T N 0.707 115.127 114.554 -0.224 0.000 2.978 199 T HA 0.120 4.470 4.350 0.001 0.000 0.262 199 T C 2.022 176.520 174.700 -0.337 0.000 1.063 199 T CA 0.742 62.702 62.100 -0.233 0.000 1.140 199 T CB 0.116 68.866 68.868 -0.198 0.000 0.886 199 T HN 0.297 nan 8.240 nan 0.000 0.470 200 L N 0.051 120.970 121.223 -0.507 0.000 2.425 200 L HA 0.421 4.761 4.340 0.001 0.000 0.215 200 L C 1.407 177.602 176.870 -1.124 0.000 1.065 200 L CA -0.233 54.072 54.840 -0.891 0.000 0.842 200 L CB -0.257 41.062 42.059 -1.233 0.000 1.033 200 L HN 0.109 nan 8.230 nan 0.000 0.474 201 A N 0.917 123.301 122.820 -0.727 0.000 2.351 201 A HA 0.212 4.532 4.320 0.001 0.000 0.257 201 A C 0.118 177.555 177.584 -0.245 0.000 1.087 201 A CA 0.101 51.865 52.037 -0.455 0.000 0.798 201 A CB 0.200 19.070 19.000 -0.217 0.000 1.033 201 A HN 0.393 nan 8.150 nan 0.000 0.488 202 D N -0.622 119.718 120.400 -0.100 0.000 2.535 202 D HA 0.236 4.876 4.640 0.001 0.000 0.229 202 D C -0.198 176.114 176.300 0.020 0.000 1.238 202 D CA -0.150 53.842 54.000 -0.015 0.000 0.824 202 D CB -0.083 40.748 40.800 0.052 0.000 1.045 202 D HN 0.473 nan 8.370 nan 0.000 0.500 203 K N 0.266 120.672 120.400 0.011 0.000 2.619 203 K HA 0.246 4.566 4.320 0.001 0.000 0.279 203 K C -2.021 174.599 176.600 0.034 0.000 1.071 203 K CA -0.410 55.892 56.287 0.024 0.000 1.039 203 K CB 0.708 33.227 32.500 0.032 0.000 1.392 203 K HN 0.000 nan 8.250 nan 0.000 0.427 204 I N 4.125 124.704 120.570 0.015 0.000 2.474 204 I HA 0.424 4.594 4.170 0.001 0.000 0.294 204 I C -0.414 175.678 176.117 -0.041 0.000 1.005 204 I CA -1.315 59.994 61.300 0.014 0.000 1.113 204 I CB 2.054 40.065 38.000 0.019 0.000 1.289 204 I HN 0.193 nan 8.210 nan 0.000 0.436 205 V N 6.782 126.623 119.914 -0.122 0.000 2.384 205 V HA 0.331 4.451 4.120 0.001 0.000 0.287 205 V C -0.070 175.876 176.094 -0.247 0.000 1.020 205 V CA -0.711 61.411 62.300 -0.295 0.000 0.850 205 V CB 1.771 33.136 31.823 -0.763 0.000 0.987 205 V HN 0.385 nan 8.190 nan 0.000 0.436 206 V N 6.656 126.476 119.914 -0.157 0.000 2.350 206 V HA 0.428 4.548 4.120 0.001 0.000 0.276 206 V C -0.099 175.924 176.094 -0.118 0.000 1.028 206 V CA -0.397 61.830 62.300 -0.121 0.000 0.860 206 V CB 1.235 33.021 31.823 -0.062 0.000 0.990 206 V HN 0.561 nan 8.190 nan 0.000 0.453 207 L N 4.115 125.254 121.223 -0.139 0.000 2.387 207 L HA 0.735 5.076 4.340 0.001 0.000 0.266 207 L C -0.215 176.590 176.870 -0.108 0.000 1.059 207 L CA 0.029 54.802 54.840 -0.112 0.000 0.801 207 L CB 1.438 43.451 42.059 -0.078 0.000 1.223 207 L HN 0.792 nan 8.230 nan 0.000 0.456 208 D N 0.838 121.133 120.400 -0.175 0.000 2.688 208 D HA 0.488 5.128 4.640 0.001 0.000 0.210 208 D C -0.579 175.555 176.300 -0.277 0.000 1.333 208 D CA 0.048 53.840 54.000 -0.347 0.000 0.920 208 D CB 1.143 41.412 40.800 -0.886 0.000 1.554 208 D HN 0.869 nan 8.370 nan 0.000 0.579 209 A N 3.023 125.723 122.820 -0.200 0.000 2.261 209 A HA 0.184 4.504 4.320 0.001 0.000 0.282 209 A C 1.774 179.288 177.584 -0.116 0.000 1.403 209 A CA 2.161 54.114 52.037 -0.139 0.000 0.753 209 A CB -1.954 16.947 19.000 -0.164 0.000 1.125 209 A HN 2.065 nan 8.150 nan 0.000 0.358 210 G N 0.042 108.790 108.800 -0.087 0.000 2.779 210 G HA2 -0.382 3.578 3.960 0.001 0.000 0.230 210 G HA3 -0.382 3.578 3.960 0.001 0.000 0.230 210 G C 0.475 175.324 174.900 -0.085 0.000 1.243 210 G CA 1.349 46.404 45.100 -0.076 0.000 0.769 210 G HN 2.236 nan 8.290 nan 0.000 0.516 211 R N 0.396 120.832 120.500 -0.107 0.000 2.615 211 R HA 0.631 4.971 4.340 0.001 0.000 0.270 211 R C -0.261 175.976 176.300 -0.106 0.000 1.081 211 R CA -0.484 55.555 56.100 -0.102 0.000 1.154 211 R CB 1.160 31.394 30.300 -0.109 0.000 1.063 211 R HN 0.203 nan 8.270 nan 0.000 0.519 212 V N 2.411 122.272 119.914 -0.087 0.000 2.432 212 V HA 0.203 4.323 4.120 0.001 0.000 0.271 212 V C 1.058 177.117 176.094 -0.057 0.000 1.046 212 V CA 0.406 62.652 62.300 -0.089 0.000 0.945 212 V CB 0.873 32.641 31.823 -0.092 0.000 0.992 212 V HN 1.047 nan 8.190 nan 0.000 0.471 213 A N 4.366 127.171 122.820 -0.025 0.000 1.878 213 A HA 0.140 4.460 4.320 0.001 0.000 0.213 213 A C 0.838 178.456 177.584 0.057 0.000 1.192 213 A CA 0.824 52.895 52.037 0.056 0.000 0.619 213 A CB 0.137 19.285 19.000 0.247 0.000 0.837 213 A HN 0.747 nan 8.150 nan 0.000 0.446 214 Q N -1.766 118.049 119.800 0.025 0.000 2.666 214 Q HA 0.496 4.836 4.340 0.001 0.000 0.276 214 Q C -2.400 173.593 176.000 -0.012 0.000 0.952 214 Q CA -0.482 55.337 55.803 0.025 0.000 0.850 214 Q CB 1.994 30.770 28.738 0.065 0.000 1.512 214 Q HN 0.158 nan 8.270 nan 0.000 0.395 215 V N 1.344 121.254 119.914 -0.008 0.000 2.638 215 V HA 0.988 5.108 4.120 0.001 0.000 0.306 215 V C 0.056 176.156 176.094 0.009 0.000 1.052 215 V CA 0.120 62.404 62.300 -0.026 0.000 0.885 215 V CB 1.514 33.307 31.823 -0.050 0.000 0.999 215 V HN 0.899 nan 8.190 nan 0.000 0.424 216 G N 3.163 111.973 108.800 0.017 0.000 2.495 216 G HA2 0.438 4.399 3.960 0.001 0.000 0.294 216 G HA3 0.438 4.399 3.960 0.001 0.000 0.294 216 G C -1.526 173.398 174.900 0.040 0.000 1.397 216 G CA -0.952 44.173 45.100 0.041 0.000 0.790 216 G HN 0.526 nan 8.290 nan 0.000 0.486 217 K N 0.500 120.933 120.400 0.054 0.000 2.180 217 K HA 0.257 4.578 4.320 0.001 0.000 0.251 217 K C -1.568 175.059 176.600 0.046 0.000 1.014 217 K CA -1.311 55.001 56.287 0.042 0.000 0.913 217 K CB 1.231 33.761 32.500 0.051 0.000 1.008 217 K HN 0.047 nan 8.250 nan 0.000 0.490 218 P HA -0.221 nan 4.420 nan 0.000 0.213 218 P C 1.090 178.404 177.300 0.023 0.000 1.176 218 P CA 1.252 64.348 63.100 -0.007 0.000 0.919 218 P CB 0.153 31.816 31.700 -0.062 0.000 0.791 219 L N -0.599 120.642 121.223 0.030 0.000 2.275 219 L HA -0.115 4.226 4.340 0.001 0.000 0.215 219 L C 2.075 179.070 176.870 0.207 0.000 1.119 219 L CA 1.744 56.625 54.840 0.068 0.000 0.790 219 L CB -1.801 40.336 42.059 0.130 0.000 0.919 219 L HN 0.152 nan 8.230 nan 0.000 0.443 220 E N -0.433 119.899 120.200 0.220 0.000 2.152 220 E HA -0.140 4.210 4.350 0.001 0.000 0.192 220 E C 2.366 179.129 176.600 0.272 0.000 0.983 220 E CA 0.567 57.158 56.400 0.317 0.000 0.818 220 E CB 0.026 29.868 29.700 0.236 0.000 0.758 220 E HN 0.410 nan 8.360 nan 0.000 0.467 221 L N -0.073 121.257 121.223 0.179 0.000 2.072 221 L HA -0.145 4.195 4.340 0.001 0.000 0.205 221 L C 2.451 179.401 176.870 0.134 0.000 1.079 221 L CA 0.902 55.830 54.840 0.147 0.000 0.752 221 L CB -0.336 41.786 42.059 0.105 0.000 0.906 221 L HN 0.190 nan 8.230 nan 0.000 0.436 222 Y N 0.296 120.572 120.300 -0.039 0.000 2.089 222 Y HA -0.284 4.267 4.550 0.001 0.000 0.282 222 Y C 2.855 178.699 175.900 -0.092 0.000 1.139 222 Y CA 1.826 59.846 58.100 -0.133 0.000 1.123 222 Y CB -0.243 38.041 38.460 -0.292 0.000 0.980 222 Y HN 0.175 nan 8.280 nan 0.000 0.493 223 H N -2.114 116.942 119.070 -0.022 0.000 2.470 223 H HA 0.011 4.567 4.556 0.000 0.000 0.289 223 H C -0.058 174.912 175.328 -0.596 0.000 1.033 223 H CA 1.211 57.026 56.048 -0.388 0.000 1.331 223 H CB -0.124 29.244 29.762 -0.658 0.000 1.414 223 H HN 0.365 nan 8.280 nan 0.000 0.545 224 Y N 0.775 121.250 120.300 0.293 0.000 2.517 224 Y HA 0.260 4.810 4.550 0.001 0.000 0.330 224 Y C -2.250 173.773 175.900 0.205 0.000 0.917 224 Y CA -3.128 55.108 58.100 0.227 0.000 1.131 224 Y CB 0.443 39.000 38.460 0.162 0.000 1.175 224 Y HN 0.013 nan 8.280 nan 0.000 0.620 225 P HA 0.003 nan 4.420 nan 0.000 0.264 225 P C 0.636 178.123 177.300 0.313 0.000 1.193 225 P CA 0.507 63.756 63.100 0.249 0.000 0.763 225 P CB 1.728 33.543 31.700 0.193 0.000 0.810 226 A N 3.162 126.127 122.820 0.242 0.000 2.119 226 A HA -0.022 4.299 4.320 0.001 0.000 0.216 226 A C 0.625 178.371 177.584 0.270 0.000 1.152 226 A CA 1.261 53.433 52.037 0.225 0.000 0.708 226 A CB -0.574 18.520 19.000 0.156 0.000 0.805 226 A HN 0.711 nan 8.150 nan 0.000 0.460 227 D N -4.282 116.293 120.400 0.293 0.000 2.643 227 D HA 0.249 4.890 4.640 0.001 0.000 0.283 227 D C 0.520 176.844 176.300 0.039 0.000 1.242 227 D CA -0.737 53.432 54.000 0.282 0.000 0.863 227 D CB 0.317 41.222 40.800 0.175 0.000 1.382 227 D HN -0.130 nan 8.370 nan 0.000 0.444 228 R N -0.763 119.537 120.500 -0.332 0.000 2.083 228 R HA -0.132 4.208 4.340 0.001 0.000 0.237 228 R C 1.893 177.959 176.300 -0.390 0.000 1.137 228 R CA 1.508 57.061 56.100 -0.913 0.000 0.951 228 R CB -0.517 29.308 30.300 -0.792 0.000 0.851 228 R HN 0.463 nan 8.270 nan 0.000 0.434 229 F N 0.996 120.801 119.950 -0.242 0.000 2.043 229 F HA -0.251 4.276 4.527 0.001 0.000 0.297 229 F C 1.991 177.787 175.800 -0.006 0.000 1.121 229 F CA 1.860 59.792 58.000 -0.113 0.000 1.199 229 F CB -0.778 38.171 39.000 -0.085 0.000 0.968 229 F HN -0.184 nan 8.300 nan 0.000 0.478 230 V N 0.985 120.703 119.914 -0.327 0.000 2.332 230 V HA -0.329 3.791 4.120 0.001 0.000 0.248 230 V C 2.817 178.800 176.094 -0.185 0.000 1.055 230 V CA 1.855 63.959 62.300 -0.327 0.000 1.038 230 V CB -1.851 29.960 31.823 -0.021 0.000 0.651 230 V HN 0.572 nan 8.190 nan 0.000 0.450 231 A N 0.637 123.397 122.820 -0.099 0.000 1.908 231 A HA -0.131 4.189 4.320 0.001 0.000 0.218 231 A C 2.348 179.897 177.584 -0.059 0.000 1.181 231 A CA 2.046 54.051 52.037 -0.054 0.000 0.627 231 A CB -1.112 17.902 19.000 0.025 0.000 0.818 231 A HN 0.566 nan 8.150 nan 0.000 0.445 232 G N -2.798 106.007 108.800 0.008 0.000 2.650 232 G HA2 0.054 4.015 3.960 0.001 0.000 0.214 232 G HA3 0.054 4.015 3.960 0.001 0.000 0.214 232 G C 1.232 176.087 174.900 -0.076 0.000 1.136 232 G CA 0.801 45.944 45.100 0.071 0.000 0.789 232 G HN 0.461 nan 8.290 nan 0.000 0.536 233 F N 0.208 119.960 119.950 -0.330 0.000 2.317 233 F HA 0.440 4.968 4.527 0.001 0.000 0.290 233 F C 0.766 176.458 175.800 -0.179 0.000 1.075 233 F CA -0.425 57.387 58.000 -0.313 0.000 1.380 233 F CB 0.360 39.018 39.000 -0.570 0.000 1.093 233 F HN -0.159 nan 8.300 nan 0.000 0.524 234 I N 1.130 121.708 120.570 0.013 0.000 2.371 234 I HA 0.455 4.625 4.170 0.001 0.000 0.290 234 I C 0.218 176.299 176.117 -0.060 0.000 1.028 234 I CA 0.278 61.583 61.300 0.008 0.000 1.345 234 I CB 0.544 38.593 38.000 0.081 0.000 1.407 234 I HN 0.327 nan 8.210 nan 0.000 0.501 235 G N 3.761 112.527 108.800 -0.057 0.000 3.226 235 G HA2 -0.019 3.941 3.960 0.001 0.000 0.685 235 G HA3 -0.019 3.941 3.960 0.001 0.000 0.685 235 G C 0.256 175.080 174.900 -0.127 0.000 1.207 235 G CA -0.333 44.743 45.100 -0.039 0.000 0.877 235 G HN 0.834 nan 8.290 nan 0.000 0.585 236 S N 2.714 118.349 115.700 -0.108 0.000 2.415 236 S HA 0.041 4.511 4.470 0.001 0.000 0.236 236 S C -1.230 173.290 174.600 -0.133 0.000 1.295 236 S CA 1.193 59.319 58.200 -0.123 0.000 2.080 236 S CB -1.093 62.047 63.200 -0.099 0.000 0.831 236 S HN 0.849 nan 8.310 nan 0.000 0.368 237 P HA 0.153 nan 4.420 nan 0.000 0.252 237 P C -0.121 177.089 177.300 -0.150 0.000 1.183 237 P CA 0.186 63.213 63.100 -0.121 0.000 0.973 237 P CB -0.410 31.220 31.700 -0.117 0.000 0.990 238 K N 3.755 124.069 120.400 -0.143 0.000 2.616 238 K HA -0.151 4.169 4.320 0.001 0.000 0.276 238 K C 0.422 176.894 176.600 -0.215 0.000 0.979 238 K CA 0.226 56.422 56.287 -0.152 0.000 1.055 238 K CB 0.184 32.634 32.500 -0.082 0.000 0.826 238 K HN 0.400 nan 8.250 nan 0.000 0.490 239 M N 4.056 123.473 119.600 -0.305 0.000 2.239 239 M HA -0.017 4.464 4.480 0.001 0.000 0.348 239 M C -0.248 175.648 176.300 -0.674 0.000 1.239 239 M CA 0.036 55.032 55.300 -0.508 0.000 1.114 239 M CB 0.388 32.587 32.600 -0.668 0.000 1.641 239 M HN 0.508 nan 8.290 nan 0.000 0.453 240 N N 4.056 122.459 118.700 -0.495 0.000 2.492 240 N HA 0.204 4.945 4.740 0.001 0.000 0.260 240 N C -1.641 173.552 175.510 -0.529 0.000 1.215 240 N CA 0.609 53.448 53.050 -0.352 0.000 0.923 240 N CB 0.448 38.832 38.487 -0.171 0.000 1.092 240 N HN 0.430 nan 8.380 nan 0.000 0.448 241 F N 1.879 121.831 119.950 0.003 0.000 2.499 241 F HA 0.391 4.918 4.527 0.001 0.000 0.333 241 F C -0.407 175.414 175.800 0.035 0.000 1.138 241 F CA -0.760 57.259 58.000 0.033 0.000 0.945 241 F CB 1.080 40.083 39.000 0.004 0.000 1.181 241 F HN 0.095 nan 8.300 nan 0.000 0.435 242 L N 5.484 126.841 121.223 0.223 0.000 2.334 242 L HA 0.660 5.000 4.340 0.001 0.000 0.276 242 L C -2.484 174.467 176.870 0.134 0.000 1.014 242 L CA -2.048 52.873 54.840 0.137 0.000 0.815 242 L CB 1.394 43.503 42.059 0.083 0.000 1.268 242 L HN 0.285 nan 8.230 nan 0.000 0.428 243 P HA 0.424 nan 4.420 nan 0.000 0.286 243 P C -1.084 176.246 177.300 0.050 0.000 1.269 243 P CA -0.386 62.757 63.100 0.071 0.000 0.787 243 P CB 1.353 33.083 31.700 0.049 0.000 0.920 244 V N 0.496 120.436 119.914 0.044 0.000 3.156 244 V HA 0.702 4.823 4.120 0.001 0.000 0.310 244 V C -1.031 175.066 176.094 0.004 0.000 1.234 244 V CA -1.115 61.196 62.300 0.017 0.000 1.065 244 V CB 2.412 34.241 31.823 0.010 0.000 1.088 244 V HN 0.230 nan 8.190 nan 0.000 0.451 245 K N 0.388 120.776 120.400 -0.019 0.000 2.427 245 K HA 0.709 5.029 4.320 0.001 0.000 0.252 245 K C -1.522 175.045 176.600 -0.055 0.000 0.931 245 K CA -0.793 55.478 56.287 -0.027 0.000 0.793 245 K CB 2.563 35.048 32.500 -0.026 0.000 1.211 245 K HN 0.602 nan 8.250 nan 0.000 0.426 246 V N 3.074 122.957 119.914 -0.051 0.000 2.439 246 V HA -0.004 4.116 4.120 0.001 0.000 0.271 246 V C 1.321 177.363 176.094 -0.088 0.000 1.040 246 V CA 0.291 62.544 62.300 -0.078 0.000 1.002 246 V CB 0.527 32.320 31.823 -0.051 0.000 1.000 246 V HN 1.056 nan 8.190 nan 0.000 0.477 247 T N 1.624 116.094 114.554 -0.140 0.000 3.039 247 T HA 0.485 4.835 4.350 0.001 0.000 0.250 247 T C 0.563 175.188 174.700 -0.126 0.000 1.052 247 T CA 0.552 62.577 62.100 -0.126 0.000 1.125 247 T CB 0.475 69.253 68.868 -0.150 0.000 0.908 247 T HN 0.859 nan 8.240 nan 0.000 0.473 248 A N 0.409 123.108 122.820 -0.202 0.000 2.556 248 A HA 0.719 5.039 4.320 0.001 0.000 0.294 248 A C -0.849 176.707 177.584 -0.047 0.000 1.091 248 A CA -0.734 51.231 52.037 -0.119 0.000 0.704 248 A CB 1.767 20.681 19.000 -0.142 0.000 1.300 248 A HN 0.164 nan 8.150 nan 0.000 0.406 249 T N 0.787 115.409 114.554 0.113 0.000 2.879 249 T HA 0.703 5.053 4.350 0.001 0.000 0.290 249 T C 0.062 174.895 174.700 0.222 0.000 0.993 249 T CA 0.369 62.563 62.100 0.157 0.000 0.975 249 T CB 1.489 70.404 68.868 0.079 0.000 0.981 249 T HN 1.404 nan 8.240 nan 0.000 0.439 250 A N 2.508 125.482 122.820 0.256 0.000 2.858 250 A HA 0.853 5.173 4.320 0.001 0.000 0.232 250 A C 1.071 178.706 177.584 0.086 0.000 1.258 250 A CA -0.710 51.414 52.037 0.144 0.000 0.909 250 A CB 0.317 19.366 19.000 0.082 0.000 1.491 250 A HN 0.784 nan 8.150 nan 0.000 0.472 251 I N -0.508 120.085 120.570 0.038 0.000 2.296 251 I HA -0.032 4.138 4.170 0.001 0.000 0.242 251 I C 0.164 176.298 176.117 0.029 0.000 1.087 251 I CA 1.156 62.471 61.300 0.025 0.000 1.393 251 I CB 0.040 38.042 38.000 0.003 0.000 1.093 251 I HN 0.478 nan 8.210 nan 0.000 0.421 252 D N 0.612 121.025 120.400 0.022 0.000 2.891 252 D HA 0.228 4.868 4.640 0.001 0.000 0.312 252 D C 0.362 176.693 176.300 0.051 0.000 1.354 252 D CA 0.091 54.106 54.000 0.025 0.000 0.838 252 D CB 1.243 42.045 40.800 0.004 0.000 1.117 252 D HN 0.403 nan 8.370 nan 0.000 0.473 253 Q N -0.543 119.321 119.800 0.107 0.000 3.025 253 Q HA 0.514 4.854 4.340 0.001 0.000 0.238 253 Q C -0.939 175.211 176.000 0.249 0.000 1.116 253 Q CA -0.601 55.330 55.803 0.213 0.000 0.467 253 Q CB 2.486 31.389 28.738 0.274 0.000 5.116 253 Q HN -0.075 nan 8.270 nan 0.000 0.283 254 V N 1.279 121.439 119.914 0.410 0.000 2.827 254 V HA -0.099 4.021 4.120 0.001 0.000 0.414 254 V C -1.361 174.666 176.094 -0.113 0.000 0.699 254 V CA -0.317 62.059 62.300 0.126 0.000 1.940 254 V CB 0.330 32.185 31.823 0.054 0.000 2.447 254 V HN 0.625 nan 8.190 nan 0.000 0.482 255 Q N 3.654 123.141 119.800 -0.523 0.000 2.293 255 Q HA 0.839 5.180 4.340 0.001 0.000 0.261 255 Q C -0.603 175.140 176.000 -0.428 0.000 0.960 255 Q CA -0.560 54.737 55.803 -0.843 0.000 0.882 255 Q CB 2.256 30.026 28.738 -1.613 0.000 1.275 255 Q HN 1.289 nan 8.270 nan 0.000 0.445 256 V N 0.330 120.055 119.914 -0.315 0.000 2.960 256 V HA 0.627 4.748 4.120 0.001 0.000 0.315 256 V C -0.925 175.076 176.094 -0.156 0.000 1.087 256 V CA -0.970 61.221 62.300 -0.181 0.000 0.982 256 V CB 1.825 33.584 31.823 -0.106 0.000 1.039 256 V HN 0.922 nan 8.190 nan 0.000 0.437 257 E N 2.575 122.713 120.200 -0.104 0.000 2.129 257 E HA 0.501 4.851 4.350 0.001 0.000 0.268 257 E C -1.009 175.564 176.600 -0.045 0.000 0.900 257 E CA -0.750 55.603 56.400 -0.078 0.000 0.755 257 E CB 1.475 31.134 29.700 -0.068 0.000 1.117 257 E HN 0.790 nan 8.360 nan 0.000 0.410 258 L N 6.703 127.904 121.223 -0.038 0.000 2.453 258 L HA 0.163 4.503 4.340 0.001 0.000 0.272 258 L C -1.202 175.661 176.870 -0.012 0.000 1.182 258 L CA -1.333 53.497 54.840 -0.018 0.000 0.858 258 L CB 0.462 42.511 42.059 -0.016 0.000 1.120 258 L HN 0.560 nan 8.230 nan 0.000 0.474 259 P HA -0.126 nan 4.420 nan 0.000 0.236 259 P C 0.490 177.790 177.300 0.000 0.000 1.172 259 P CA 0.773 63.874 63.100 0.001 0.000 0.759 259 P CB 0.231 31.937 31.700 0.010 0.000 0.843 260 M N -0.118 119.480 119.600 -0.002 0.000 2.198 260 M HA 0.025 4.506 4.480 0.001 0.000 0.292 260 M C -1.037 175.260 176.300 -0.004 0.000 1.150 260 M CA -0.981 54.318 55.300 -0.003 0.000 1.168 260 M CB -0.770 31.826 32.600 -0.006 0.000 1.388 260 M HN -0.254 nan 8.290 nan 0.000 0.447 261 P HA -0.155 nan 4.420 nan 0.000 0.215 261 P C 0.755 178.051 177.300 -0.006 0.000 1.153 261 P CA 1.331 64.429 63.100 -0.004 0.000 0.853 261 P CB -0.205 31.494 31.700 -0.003 0.000 0.788 262 N N -0.236 118.459 118.700 -0.008 0.000 2.494 262 N HA -0.104 4.636 4.740 0.001 0.000 0.182 262 N C 0.065 175.567 175.510 -0.012 0.000 1.076 262 N CA 0.402 53.447 53.050 -0.009 0.000 0.908 262 N CB -0.678 37.803 38.487 -0.010 0.000 0.967 262 N HN -0.050 nan 8.380 nan 0.000 0.449 263 R N 0.457 120.949 120.500 -0.013 0.000 3.188 263 R HA -0.196 4.145 4.340 0.001 0.000 0.247 263 R C -0.438 175.847 176.300 -0.025 0.000 0.918 263 R CA 0.453 56.542 56.100 -0.019 0.000 0.629 263 R CB -2.149 28.140 30.300 -0.018 0.000 1.087 263 R HN 0.596 nan 8.270 nan 0.000 0.462 264 Q N 1.348 121.133 119.800 -0.025 0.000 2.352 264 Q HA 0.117 4.457 4.340 0.001 0.000 0.260 264 Q C -0.352 175.619 176.000 -0.049 0.000 0.976 264 Q CA 0.092 55.878 55.803 -0.029 0.000 0.881 264 Q CB 0.736 29.460 28.738 -0.022 0.000 1.235 264 Q HN 0.338 nan 8.270 nan 0.000 0.419 265 Q N 1.491 121.253 119.800 -0.063 0.000 2.345 265 Q HA 0.711 5.052 4.340 0.001 0.000 0.268 265 Q C -1.560 174.369 176.000 -0.119 0.000 1.054 265 Q CA -0.813 54.920 55.803 -0.117 0.000 0.835 265 Q CB 2.743 31.389 28.738 -0.152 0.000 1.339 265 Q HN 0.468 nan 8.270 nan 0.000 0.447 266 V N 1.278 121.086 119.914 -0.178 0.000 3.012 266 V HA 0.471 4.591 4.120 0.001 0.000 0.307 266 V C -2.015 173.966 176.094 -0.189 0.000 1.166 266 V CA -0.656 61.578 62.300 -0.110 0.000 0.974 266 V CB 1.606 33.409 31.823 -0.033 0.000 1.040 266 V HN 0.794 nan 8.190 nan 0.000 0.428 267 W N 5.961 127.251 121.300 -0.017 0.000 2.322 267 W HA 0.666 5.326 4.660 0.000 0.000 0.307 267 W C -0.213 176.290 176.519 -0.027 0.000 1.220 267 W CA -0.307 57.027 57.345 -0.019 0.000 1.210 267 W CB 1.093 30.542 29.460 -0.017 0.000 1.223 267 W HN 0.384 nan 8.180 nan 0.000 0.511 268 L N 5.836 127.160 121.223 0.169 0.000 2.317 268 L HA 0.379 4.719 4.340 0.001 0.000 0.281 268 L C -1.965 174.961 176.870 0.093 0.000 1.024 268 L CA -2.248 52.641 54.840 0.081 0.000 0.810 268 L CB 1.476 43.540 42.059 0.010 0.000 1.240 268 L HN 0.115 nan 8.230 nan 0.000 0.427 269 P HA 0.105 nan 4.420 nan 0.000 0.235 269 P C -0.507 176.811 177.300 0.030 0.000 1.765 269 P CA 0.290 63.418 63.100 0.048 0.000 1.034 269 P CB 0.188 31.913 31.700 0.041 0.000 1.984 270 V N 0.795 120.729 119.914 0.033 0.000 2.919 270 V HA 0.133 4.253 4.120 0.001 0.000 0.316 270 V C 1.868 177.973 176.094 0.019 0.000 1.077 270 V CA -0.481 61.825 62.300 0.009 0.000 0.977 270 V CB 2.111 33.924 31.823 -0.018 0.000 1.039 270 V HN 0.126 nan 8.190 nan 0.000 0.441 271 E N 2.270 122.474 120.200 0.006 0.000 2.132 271 E HA -0.325 4.026 4.350 0.001 0.000 0.218 271 E C 1.652 178.263 176.600 0.019 0.000 1.058 271 E CA 2.825 59.230 56.400 0.009 0.000 0.882 271 E CB -0.150 29.553 29.700 0.005 0.000 0.774 271 E HN 1.012 nan 8.360 nan 0.000 0.467 272 S N -2.009 113.705 115.700 0.023 0.000 1.961 272 S HA -0.351 4.119 4.470 0.001 0.000 0.239 272 S C 0.358 174.974 174.600 0.027 0.000 1.051 272 S CA 1.271 59.492 58.200 0.034 0.000 1.476 272 S CB -1.643 61.587 63.200 0.049 0.000 1.861 272 S HN 0.601 nan 8.310 nan 0.000 0.559 273 R N 1.652 122.164 120.500 0.020 0.000 2.522 273 R HA 0.222 4.562 4.340 0.001 0.000 0.284 273 R C 0.375 176.687 176.300 0.019 0.000 1.032 273 R CA 1.164 57.275 56.100 0.018 0.000 1.049 273 R CB -0.249 30.060 30.300 0.015 0.000 0.956 273 R HN 0.454 nan 8.270 nan 0.000 0.422 274 D N 2.120 122.532 120.400 0.019 0.000 2.772 274 D HA -0.148 4.492 4.640 0.001 0.000 0.233 274 D C -1.563 174.749 176.300 0.020 0.000 1.143 274 D CA 0.990 55.002 54.000 0.019 0.000 0.700 274 D CB -0.446 40.367 40.800 0.021 0.000 1.076 274 D HN 0.211 nan 8.370 nan 0.000 0.430 275 V N 1.851 121.777 119.914 0.019 0.000 2.325 275 V HA 0.329 4.450 4.120 0.001 0.000 0.280 275 V C 0.300 176.402 176.094 0.014 0.000 1.016 275 V CA -0.855 61.454 62.300 0.016 0.000 0.818 275 V CB 1.594 33.426 31.823 0.014 0.000 1.019 275 V HN 0.083 nan 8.190 nan 0.000 0.434 276 Q N 2.656 122.463 119.800 0.011 0.000 2.261 276 Q HA 0.437 4.777 4.340 0.001 0.000 0.252 276 Q C -0.127 175.874 176.000 0.002 0.000 0.915 276 Q CA -0.423 55.386 55.803 0.009 0.000 0.915 276 Q CB 2.353 31.096 28.738 0.009 0.000 1.204 276 Q HN 0.545 nan 8.270 nan 0.000 0.421 277 V N 1.414 121.328 119.914 0.000 0.000 2.694 277 V HA 0.187 4.307 4.120 0.001 0.000 0.306 277 V C 1.485 177.572 176.094 -0.011 0.000 1.054 277 V CA 1.483 63.777 62.300 -0.010 0.000 1.161 277 V CB 0.324 32.143 31.823 -0.006 0.000 0.916 277 V HN 1.110 nan 8.190 nan 0.000 0.490 278 G N 2.902 111.690 108.800 -0.019 0.000 2.199 278 G HA2 -0.114 3.846 3.960 0.001 0.000 0.254 278 G HA3 -0.114 3.846 3.960 0.001 0.000 0.254 278 G C 0.423 175.318 174.900 -0.009 0.000 0.982 278 G CA 0.213 45.304 45.100 -0.014 0.000 0.632 278 G HN 1.574 nan 8.290 nan 0.000 0.529 279 A N 0.127 122.944 122.820 -0.006 0.000 2.407 279 A HA 0.568 4.888 4.320 0.001 0.000 0.248 279 A C 0.419 178.005 177.584 0.003 0.000 1.082 279 A CA -0.104 51.934 52.037 0.002 0.000 0.785 279 A CB 0.232 19.236 19.000 0.007 0.000 1.020 279 A HN 0.352 nan 8.150 nan 0.000 0.489 280 N N 2.102 120.808 118.700 0.010 0.000 2.408 280 N HA 0.373 5.114 4.740 0.001 0.000 0.257 280 N C -0.583 174.945 175.510 0.031 0.000 1.064 280 N CA 0.358 53.418 53.050 0.016 0.000 0.952 280 N CB 0.930 39.426 38.487 0.015 0.000 1.093 280 N HN 0.600 nan 8.380 nan 0.000 0.490 281 M N -0.035 119.588 119.600 0.038 0.000 2.716 281 M HA 0.310 4.790 4.480 0.001 0.000 0.307 281 M C 0.034 176.396 176.300 0.103 0.000 1.223 281 M CA -0.823 54.518 55.300 0.068 0.000 0.871 281 M CB 2.054 34.684 32.600 0.051 0.000 1.739 281 M HN 0.178 nan 8.290 nan 0.000 0.475 282 S N 1.561 117.368 115.700 0.179 0.000 2.437 282 S HA 0.641 5.111 4.470 0.001 0.000 0.305 282 S C -1.188 173.630 174.600 0.364 0.000 1.109 282 S CA -0.740 57.627 58.200 0.277 0.000 1.099 282 S CB 0.588 63.970 63.200 0.303 0.000 1.004 282 S HN 0.610 nan 8.310 nan 0.000 0.475 283 L N 5.320 126.726 121.223 0.305 0.000 2.305 283 L HA 0.833 5.173 4.340 0.001 0.000 0.284 283 L C 0.196 177.252 176.870 0.309 0.000 1.013 283 L CA -0.388 54.596 54.840 0.241 0.000 0.819 283 L CB 0.957 43.085 42.059 0.115 0.000 1.227 283 L HN 0.758 nan 8.230 nan 0.000 0.417 284 G N 4.793 113.793 108.800 0.334 0.000 2.388 284 G HA2 0.621 4.582 3.960 0.001 0.000 0.330 284 G HA3 0.621 4.582 3.960 0.001 0.000 0.330 284 G C -1.627 173.310 174.900 0.061 0.000 1.142 284 G CA -0.431 44.735 45.100 0.109 0.000 0.908 284 G HN 0.560 nan 8.290 nan 0.000 0.473 285 I N 0.460 120.976 120.570 -0.089 0.000 2.610 285 I HA 0.451 4.621 4.170 0.001 0.000 0.289 285 I C -0.225 175.830 176.117 -0.102 0.000 1.163 285 I CA -0.875 60.425 61.300 0.001 0.000 1.044 285 I CB 1.820 39.839 38.000 0.031 0.000 1.251 285 I HN 0.504 nan 8.210 nan 0.000 0.424 286 R N 7.672 128.121 120.500 -0.085 0.000 2.438 286 R HA 0.310 4.650 4.340 0.001 0.000 0.287 286 R C -1.759 174.454 176.300 -0.146 0.000 1.077 286 R CA -1.257 54.705 56.100 -0.231 0.000 1.034 286 R CB 0.410 30.422 30.300 -0.481 0.000 0.993 286 R HN 0.427 nan 8.270 nan 0.000 0.459 287 P HA -0.240 nan 4.420 nan 0.000 0.218 287 P C 0.110 177.365 177.300 -0.075 0.000 1.152 287 P CA 1.526 64.574 63.100 -0.087 0.000 0.857 287 P CB 0.289 31.905 31.700 -0.140 0.000 0.787 288 E N -2.613 117.503 120.200 -0.140 0.000 2.358 288 E HA -0.108 4.242 4.350 0.001 0.000 0.195 288 E C 1.545 178.217 176.600 0.121 0.000 1.010 288 E CA 0.796 57.151 56.400 -0.075 0.000 0.856 288 E CB -0.937 28.708 29.700 -0.092 0.000 0.795 288 E HN 0.545 nan 8.360 nan 0.000 0.504 289 H N -0.123 118.973 119.070 0.043 0.000 2.525 289 H HA 0.179 4.736 4.556 0.000 0.000 0.275 289 H C 0.370 175.746 175.328 0.081 0.000 0.984 289 H CA -0.595 55.487 56.048 0.056 0.000 1.264 289 H CB 0.333 30.117 29.762 0.036 0.000 1.432 289 H HN 0.044 nan 8.280 nan 0.000 0.549 290 L N 1.956 123.329 121.223 0.251 0.000 2.499 290 L HA -0.023 4.317 4.340 0.001 0.000 0.281 290 L C -0.136 176.903 176.870 0.282 0.000 1.234 290 L CA 0.283 55.270 54.840 0.246 0.000 0.839 290 L CB 0.541 42.813 42.059 0.354 0.000 1.104 290 L HN 0.134 nan 8.230 nan 0.000 0.500 291 L N 2.904 124.224 121.223 0.161 0.000 2.332 291 L HA 0.335 4.675 4.340 0.001 0.000 0.269 291 L C -1.574 175.347 176.870 0.084 0.000 1.016 291 L CA -1.632 53.288 54.840 0.133 0.000 0.809 291 L CB 1.232 43.324 42.059 0.055 0.000 1.280 291 L HN 0.343 nan 8.230 nan 0.000 0.447 292 P HA -0.224 nan 4.420 nan 0.000 0.220 292 P C 0.988 178.242 177.300 -0.077 0.000 1.144 292 P CA 1.607 64.735 63.100 0.047 0.000 0.800 292 P CB 0.207 31.945 31.700 0.062 0.000 0.772 293 S N -1.703 113.955 115.700 -0.071 0.000 2.206 293 S HA -0.353 4.117 4.470 0.001 0.000 0.241 293 S C 1.556 176.107 174.600 -0.082 0.000 1.163 293 S CA 1.585 59.726 58.200 -0.099 0.000 1.532 293 S CB -2.869 60.229 63.200 -0.171 0.000 1.946 293 S HN 0.296 nan 8.310 nan 0.000 0.590 294 D N 1.597 121.954 120.400 -0.072 0.000 2.182 294 D HA -0.049 4.591 4.640 0.001 0.000 0.201 294 D C 1.861 178.140 176.300 -0.035 0.000 0.986 294 D CA 1.890 55.857 54.000 -0.055 0.000 0.847 294 D CB -0.250 40.528 40.800 -0.037 0.000 0.942 294 D HN 0.621 nan 8.370 nan 0.000 0.467 295 I N 0.600 121.155 120.570 -0.025 0.000 2.070 295 I HA 0.162 4.332 4.170 0.001 0.000 0.224 295 I C 1.510 177.614 176.117 -0.021 0.000 1.049 295 I CA 1.502 62.792 61.300 -0.016 0.000 1.334 295 I CB -1.640 36.355 38.000 -0.008 0.000 1.095 295 I HN 0.267 nan 8.210 nan 0.000 0.391 296 A N -1.920 120.887 122.820 -0.022 0.000 2.645 296 A HA 0.403 4.723 4.320 0.001 0.000 0.291 296 A C -0.893 176.680 177.584 -0.019 0.000 1.030 296 A CA -0.007 52.017 52.037 -0.022 0.000 0.566 296 A CB -0.090 18.901 19.000 -0.016 0.000 1.527 296 A HN 0.483 nan 8.150 nan 0.000 0.684 297 D N -2.194 118.198 120.400 -0.014 0.000 3.672 297 D HA -0.165 4.476 4.640 0.001 0.000 0.258 297 D C 0.280 176.572 176.300 -0.013 0.000 1.876 297 D CA 1.201 55.196 54.000 -0.008 0.000 1.168 297 D CB -1.165 39.632 40.800 -0.004 0.000 0.839 297 D HN 1.538 nan 8.370 nan 0.000 1.037 298 V N 1.010 120.919 119.914 -0.009 0.000 2.621 298 V HA 0.013 4.134 4.120 0.001 0.000 0.300 298 V C 0.897 176.977 176.094 -0.022 0.000 1.031 298 V CA 1.025 63.317 62.300 -0.013 0.000 1.210 298 V CB -0.771 31.046 31.823 -0.010 0.000 0.864 298 V HN 0.268 nan 8.190 nan 0.000 0.477 299 I N 5.416 125.970 120.570 -0.027 0.000 2.730 299 I HA 0.570 4.740 4.170 0.001 0.000 0.298 299 I C -0.772 175.324 176.117 -0.035 0.000 1.089 299 I CA -0.818 60.458 61.300 -0.039 0.000 1.041 299 I CB 2.266 40.237 38.000 -0.049 0.000 1.235 299 I HN 0.410 nan 8.210 nan 0.000 0.423 300 L N 5.068 126.266 121.223 -0.042 0.000 2.381 300 L HA 0.532 4.873 4.340 0.001 0.000 0.268 300 L C -0.569 176.281 176.870 -0.034 0.000 0.997 300 L CA -0.314 54.508 54.840 -0.029 0.000 0.818 300 L CB 1.890 43.937 42.059 -0.020 0.000 1.310 300 L HN 0.483 nan 8.230 nan 0.000 0.416 301 E N 0.558 120.747 120.200 -0.017 0.000 2.312 301 E HA 0.850 5.200 4.350 0.001 0.000 0.267 301 E C -0.593 176.018 176.600 0.019 0.000 0.894 301 E CA -0.835 55.561 56.400 -0.008 0.000 0.773 301 E CB 2.767 32.455 29.700 -0.019 0.000 1.241 301 E HN 0.745 nan 8.360 nan 0.000 0.432 302 G N 0.990 109.818 108.800 0.046 0.000 2.561 302 G HA2 0.264 4.224 3.960 0.001 0.000 0.310 302 G HA3 0.264 4.224 3.960 0.001 0.000 0.310 302 G C -1.434 173.510 174.900 0.074 0.000 1.292 302 G CA -0.681 44.450 45.100 0.052 0.000 0.811 302 G HN 0.381 nan 8.290 nan 0.000 0.482 303 E N -0.208 120.028 120.200 0.060 0.000 2.151 303 E HA 0.457 4.807 4.350 0.001 0.000 0.275 303 E C -0.297 176.335 176.600 0.053 0.000 0.936 303 E CA -0.611 55.825 56.400 0.060 0.000 0.777 303 E CB 2.426 32.150 29.700 0.040 0.000 1.108 303 E HN 0.225 nan 8.360 nan 0.000 0.401 304 V N 4.819 124.763 119.914 0.051 0.000 2.475 304 V HA -0.125 3.995 4.120 0.001 0.000 0.292 304 V C 1.009 177.109 176.094 0.009 0.000 1.003 304 V CA 0.712 63.016 62.300 0.006 0.000 1.120 304 V CB 0.626 32.436 31.823 -0.023 0.000 0.937 304 V HN 0.741 nan 8.190 nan 0.000 0.476 305 Q N 3.807 123.619 119.800 0.020 0.000 2.387 305 Q HA 0.249 4.589 4.340 0.001 0.000 0.212 305 Q C 0.063 176.044 176.000 -0.031 0.000 0.925 305 Q CA 0.781 56.591 55.803 0.012 0.000 0.901 305 Q CB 0.980 29.743 28.738 0.042 0.000 1.020 305 Q HN 0.617 nan 8.270 nan 0.000 0.545 306 V N 0.247 120.137 119.914 -0.041 0.000 3.007 306 V HA 0.547 4.667 4.120 0.001 0.000 0.311 306 V C -0.789 175.243 176.094 -0.104 0.000 1.120 306 V CA -0.848 61.352 62.300 -0.167 0.000 0.980 306 V CB 2.728 34.229 31.823 -0.537 0.000 1.033 306 V HN -0.185 nan 8.190 nan 0.000 0.429 307 V N 2.413 122.260 119.914 -0.113 0.000 2.559 307 V HA 0.386 4.506 4.120 0.001 0.000 0.289 307 V C -0.700 175.352 176.094 -0.069 0.000 1.036 307 V CA -0.549 61.710 62.300 -0.068 0.000 0.887 307 V CB 1.673 33.457 31.823 -0.065 0.000 1.022 307 V HN 0.978 nan 8.190 nan 0.000 0.442 308 E N 3.911 124.081 120.200 -0.050 0.000 2.134 308 E HA 0.456 4.806 4.350 0.001 0.000 0.278 308 E C -0.814 175.766 176.600 -0.034 0.000 0.959 308 E CA -0.767 55.605 56.400 -0.047 0.000 0.783 308 E CB 1.578 31.255 29.700 -0.040 0.000 1.095 308 E HN 0.468 nan 8.360 nan 0.000 0.399 309 Q N 2.912 122.692 119.800 -0.034 0.000 2.296 309 Q HA 0.228 4.569 4.340 0.001 0.000 0.257 309 Q C 0.345 176.329 176.000 -0.028 0.000 0.942 309 Q CA 0.044 55.830 55.803 -0.028 0.000 0.939 309 Q CB 1.258 29.982 28.738 -0.023 0.000 1.198 309 Q HN 0.642 nan 8.270 nan 0.000 0.429 310 L N 0.378 121.584 121.223 -0.029 0.000 2.906 310 L HA 0.242 4.582 4.340 0.001 0.000 0.255 310 L C 1.217 178.071 176.870 -0.026 0.000 1.166 310 L CA 0.283 55.106 54.840 -0.029 0.000 0.977 310 L CB 0.224 42.262 42.059 -0.035 0.000 1.313 310 L HN 0.915 nan 8.230 nan 0.000 0.549 311 G N 2.149 110.935 108.800 -0.022 0.000 3.444 311 G HA2 -0.413 3.547 3.960 0.001 0.000 0.222 311 G HA3 -0.413 3.547 3.960 0.001 0.000 0.222 311 G C 1.009 175.897 174.900 -0.020 0.000 1.358 311 G CA 0.639 45.728 45.100 -0.019 0.000 0.880 311 G HN 0.493 nan 8.290 nan 0.000 0.555 312 N N 2.479 121.164 118.700 -0.025 0.000 2.395 312 N HA 0.125 4.865 4.740 0.001 0.000 0.175 312 N C 0.810 176.300 175.510 -0.033 0.000 1.029 312 N CA 1.703 54.737 53.050 -0.027 0.000 0.897 312 N CB 0.078 38.547 38.487 -0.030 0.000 0.991 312 N HN 0.891 nan 8.380 nan 0.000 0.441 313 E N -0.961 119.215 120.200 -0.040 0.000 2.460 313 E HA 0.535 4.885 4.350 0.001 0.000 0.277 313 E C -1.492 175.076 176.600 -0.053 0.000 1.010 313 E CA -0.967 55.401 56.400 -0.054 0.000 0.838 313 E CB 1.437 31.092 29.700 -0.075 0.000 1.448 313 E HN -0.146 nan 8.360 nan 0.000 0.462 314 T N 1.047 115.559 114.554 -0.070 0.000 2.881 314 T HA 0.303 4.653 4.350 0.001 0.000 0.290 314 T C -1.101 173.546 174.700 -0.090 0.000 1.000 314 T CA -0.823 61.241 62.100 -0.060 0.000 0.978 314 T CB 1.440 70.285 68.868 -0.038 0.000 0.997 314 T HN 0.367 nan 8.240 nan 0.000 0.443 315 Q N 2.768 122.536 119.800 -0.053 0.000 2.325 315 Q HA 0.505 4.845 4.340 0.001 0.000 0.262 315 Q C -0.707 175.316 176.000 0.038 0.000 0.968 315 Q CA -0.940 54.843 55.803 -0.033 0.000 0.877 315 Q CB 1.747 30.496 28.738 0.018 0.000 1.253 315 Q HN 0.449 nan 8.270 nan 0.000 0.448 316 I N 2.540 123.122 120.570 0.021 0.000 2.354 316 I HA 0.268 4.438 4.170 0.001 0.000 0.292 316 I C 0.152 176.312 176.117 0.071 0.000 0.989 316 I CA -0.517 60.776 61.300 -0.011 0.000 1.188 316 I CB 0.896 38.739 38.000 -0.262 0.000 1.342 316 I HN 0.521 nan 8.210 nan 0.000 0.457 317 H N 6.721 125.742 119.070 -0.081 0.000 2.552 317 H HA 0.527 5.083 4.556 0.001 0.000 0.311 317 H C -0.469 174.832 175.328 -0.045 0.000 1.071 317 H CA -0.454 55.568 56.048 -0.042 0.000 1.307 317 H CB 1.991 31.732 29.762 -0.036 0.000 1.416 317 H HN 0.414 nan 8.280 nan 0.000 0.464 318 I N 2.882 123.480 120.570 0.046 0.000 2.433 318 I HA 0.141 4.311 4.170 0.001 0.000 0.292 318 I C 0.005 176.148 176.117 0.043 0.000 1.001 318 I CA -0.620 60.705 61.300 0.041 0.000 1.119 318 I CB 2.230 40.258 38.000 0.046 0.000 1.289 318 I HN 0.429 nan 8.210 nan 0.000 0.438 319 Q N 6.230 126.057 119.800 0.046 0.000 2.278 319 Q HA 0.594 4.934 4.340 0.001 0.000 0.257 319 Q C -1.295 174.725 176.000 0.033 0.000 0.928 319 Q CA -0.452 55.374 55.803 0.038 0.000 0.932 319 Q CB 1.449 30.208 28.738 0.036 0.000 1.221 319 Q HN 0.582 nan 8.270 nan 0.000 0.434 320 I N 6.383 126.970 120.570 0.027 0.000 2.509 320 I HA 0.400 4.570 4.170 0.001 0.000 0.293 320 I C -2.106 174.022 176.117 0.019 0.000 1.020 320 I CA -2.608 58.705 61.300 0.022 0.000 1.088 320 I CB 2.049 40.060 38.000 0.018 0.000 1.267 320 I HN 0.572 nan 8.210 nan 0.000 0.430 321 P HA 0.004 nan 4.420 nan 0.000 0.267 321 P C 0.427 177.735 177.300 0.013 0.000 1.205 321 P CA 0.472 63.580 63.100 0.013 0.000 0.765 321 P CB 1.163 32.869 31.700 0.010 0.000 0.828 322 S N 1.143 116.851 115.700 0.013 0.000 2.372 322 S HA -0.152 4.318 4.470 0.001 0.000 0.257 322 S C 0.019 174.630 174.600 0.019 0.000 1.282 322 S CA 0.426 58.634 58.200 0.014 0.000 1.305 322 S CB -2.638 60.569 63.200 0.010 0.000 1.614 322 S HN 0.432 nan 8.310 nan 0.000 0.631 323 I N 2.525 123.108 120.570 0.022 0.000 2.354 323 I HA 0.458 4.629 4.170 0.001 0.000 0.292 323 I C 1.698 177.833 176.117 0.030 0.000 0.989 323 I CA -1.133 60.185 61.300 0.029 0.000 1.188 323 I CB 1.216 39.235 38.000 0.031 0.000 1.342 323 I HN 0.106 nan 8.210 nan 0.000 0.457 324 R N 3.720 124.239 120.500 0.033 0.000 2.221 324 R HA -0.132 4.208 4.340 0.001 0.000 0.215 324 R C 0.374 176.694 176.300 0.034 0.000 1.092 324 R CA 1.420 57.538 56.100 0.031 0.000 0.858 324 R CB -0.275 30.044 30.300 0.031 0.000 0.791 324 R HN 0.633 nan 8.270 nan 0.000 0.442 325 Q N 1.471 121.295 119.800 0.041 0.000 2.417 325 Q HA 0.084 4.424 4.340 0.001 0.000 0.241 325 Q C -0.213 175.810 176.000 0.038 0.000 1.008 325 Q CA -0.448 55.381 55.803 0.043 0.000 0.901 325 Q CB 0.303 29.071 28.738 0.050 0.000 1.259 325 Q HN 0.248 nan 8.270 nan 0.000 0.489 326 N N 0.699 119.423 118.700 0.041 0.000 2.371 326 N HA 0.085 4.825 4.740 0.001 0.000 0.243 326 N C -0.806 174.697 175.510 -0.013 0.000 1.287 326 N CA -0.093 52.976 53.050 0.032 0.000 0.911 326 N CB 0.403 38.936 38.487 0.077 0.000 1.142 326 N HN 0.314 nan 8.380 nan 0.000 0.451 327 L N 1.676 122.884 121.223 -0.025 0.000 2.265 327 L HA 0.267 4.608 4.340 0.001 0.000 0.289 327 L C -0.677 176.129 176.870 -0.107 0.000 1.033 327 L CA -0.517 54.294 54.840 -0.048 0.000 0.814 327 L CB 1.202 43.254 42.059 -0.012 0.000 1.203 327 L HN 0.174 nan 8.230 nan 0.000 0.423 328 V N 5.597 125.399 119.914 -0.186 0.000 2.498 328 V HA 0.234 4.354 4.120 0.001 0.000 0.279 328 V C -0.768 175.287 176.094 -0.066 0.000 1.048 328 V CA -0.411 61.716 62.300 -0.287 0.000 0.967 328 V CB 1.012 32.583 31.823 -0.420 0.000 0.988 328 V HN 0.638 nan 8.190 nan 0.000 0.473 329 Y N 5.681 125.879 120.300 -0.170 0.000 2.406 329 Y HA 0.668 5.218 4.550 0.000 0.000 0.340 329 Y C -0.158 175.701 175.900 -0.068 0.000 0.975 329 Y CA -1.187 56.864 58.100 -0.082 0.000 1.056 329 Y CB 1.455 39.902 38.460 -0.021 0.000 1.210 329 Y HN 0.622 nan 8.280 nan 0.000 0.448 330 R N 4.810 124.953 120.500 -0.595 0.000 2.393 330 R HA 0.463 4.804 4.340 0.001 0.000 0.310 330 R C -1.243 174.595 176.300 -0.770 0.000 0.968 330 R CA -0.958 54.830 56.100 -0.521 0.000 0.867 330 R CB 2.000 32.132 30.300 -0.280 0.000 1.124 330 R HN 0.755 nan 8.270 nan 0.000 0.450 331 Q N 2.122 121.614 119.800 -0.513 0.000 2.397 331 Q HA 0.228 4.568 4.340 0.001 0.000 0.275 331 Q C -1.062 174.858 176.000 -0.134 0.000 1.090 331 Q CA -0.856 54.749 55.803 -0.331 0.000 0.809 331 Q CB 1.990 30.629 28.738 -0.165 0.000 1.362 331 Q HN 0.574 nan 8.270 nan 0.000 0.431 332 N N 3.041 121.699 118.700 -0.069 0.000 2.441 332 N HA -0.037 4.703 4.740 0.001 0.000 0.251 332 N C -0.423 175.079 175.510 -0.013 0.000 1.242 332 N CA 1.017 54.046 53.050 -0.035 0.000 0.898 332 N CB 0.443 38.922 38.487 -0.013 0.000 1.100 332 N HN 0.875 nan 8.380 nan 0.000 0.443 333 D N -0.071 120.319 120.400 -0.016 0.000 4.160 333 D HA -0.239 4.401 4.640 0.001 0.000 0.291 333 D C -0.973 175.324 176.300 -0.005 0.000 2.226 333 D CA 0.511 54.507 54.000 -0.006 0.000 1.157 333 D CB -0.133 40.671 40.800 0.006 0.000 1.020 333 D HN 0.181 nan 8.370 nan 0.000 1.219 334 V N 0.958 120.873 119.914 0.002 0.000 2.488 334 V HA 0.430 4.551 4.120 0.001 0.000 0.277 334 V C 0.587 176.693 176.094 0.021 0.000 1.046 334 V CA -0.339 61.964 62.300 0.005 0.000 0.986 334 V CB 1.292 33.118 31.823 0.004 0.000 0.989 334 V HN 0.342 nan 8.190 nan 0.000 0.475 335 V N 6.433 126.363 119.914 0.026 0.000 2.531 335 V HA 0.406 4.526 4.120 0.001 0.000 0.301 335 V C -0.264 175.858 176.094 0.047 0.000 1.034 335 V CA -0.499 61.834 62.300 0.055 0.000 0.865 335 V CB 2.019 33.891 31.823 0.083 0.000 0.995 335 V HN 0.669 nan 8.190 nan 0.000 0.424 336 L N 6.697 127.954 121.223 0.057 0.000 2.288 336 L HA 0.614 4.955 4.340 0.001 0.000 0.283 336 L C -0.372 176.535 176.870 0.062 0.000 1.072 336 L CA -0.384 54.483 54.840 0.044 0.000 0.862 336 L CB 1.181 43.262 42.059 0.037 0.000 1.245 336 L HN 0.599 nan 8.230 nan 0.000 0.432 337 V N 0.027 119.967 119.914 0.043 0.000 2.962 337 V HA 0.634 4.754 4.120 0.001 0.000 0.313 337 V C -0.575 175.529 176.094 0.016 0.000 1.099 337 V CA -0.811 61.521 62.300 0.054 0.000 0.971 337 V CB 2.403 34.255 31.823 0.050 0.000 1.028 337 V HN 0.594 nan 8.190 nan 0.000 0.430 338 E N 0.648 120.863 120.200 0.026 0.000 2.264 338 E HA 0.473 4.824 4.350 0.001 0.000 0.260 338 E C -0.814 175.789 176.600 0.006 0.000 0.961 338 E CA -0.893 55.513 56.400 0.010 0.000 0.834 338 E CB 2.026 31.736 29.700 0.016 0.000 1.230 338 E HN 0.831 nan 8.360 nan 0.000 0.412 339 E N -0.277 119.921 120.200 -0.004 0.000 2.398 339 E HA 0.195 4.546 4.350 0.001 0.000 0.263 339 E C 0.602 177.208 176.600 0.010 0.000 1.046 339 E CA 0.668 57.066 56.400 -0.005 0.000 0.908 339 E CB 0.632 30.324 29.700 -0.013 0.000 0.963 339 E HN 0.801 nan 8.360 nan 0.000 0.431 340 G N 1.512 110.322 108.800 0.015 0.000 2.267 340 G HA2 -0.352 3.608 3.960 0.001 0.000 0.257 340 G HA3 -0.352 3.608 3.960 0.001 0.000 0.257 340 G C 0.467 175.389 174.900 0.037 0.000 0.998 340 G CA 0.088 45.202 45.100 0.023 0.000 0.620 340 G HN 0.812 nan 8.290 nan 0.000 0.529 341 A N -0.091 122.758 122.820 0.048 0.000 2.406 341 A HA 0.635 4.956 4.320 0.001 0.000 0.243 341 A C 0.789 178.435 177.584 0.104 0.000 1.082 341 A CA 1.395 53.477 52.037 0.076 0.000 0.786 341 A CB 0.380 19.439 19.000 0.099 0.000 1.029 341 A HN 1.397 nan 8.150 nan 0.000 0.495 342 T N 0.483 115.100 114.554 0.105 0.000 2.806 342 T HA 0.547 4.897 4.350 0.001 0.000 0.290 342 T C -1.078 173.725 174.700 0.171 0.000 0.966 342 T CA -0.052 62.110 62.100 0.103 0.000 1.060 342 T CB -0.350 68.544 68.868 0.044 0.000 0.927 342 T HN 0.419 nan 8.240 nan 0.000 0.485 343 F N 3.191 123.127 119.950 -0.023 0.000 2.569 343 F HA 0.695 5.222 4.527 0.000 0.000 0.312 343 F C -0.482 175.274 175.800 -0.073 0.000 1.109 343 F CA -0.722 57.252 58.000 -0.043 0.000 0.919 343 F CB 1.916 40.894 39.000 -0.037 0.000 1.211 343 F HN 0.766 nan 8.300 nan 0.000 0.446 344 A N 6.522 129.104 122.820 -0.396 0.000 2.355 344 A HA 0.873 5.193 4.320 0.001 0.000 0.317 344 A C -1.165 176.226 177.584 -0.322 0.000 1.094 344 A CA -0.622 51.265 52.037 -0.251 0.000 0.764 344 A CB 0.963 19.835 19.000 -0.213 0.000 1.230 344 A HN 0.769 nan 8.150 nan 0.000 0.448 345 I N -0.528 119.919 120.570 -0.205 0.000 2.934 345 I HA 0.883 5.054 4.170 0.001 0.000 0.306 345 I C 0.155 176.192 176.117 -0.132 0.000 1.110 345 I CA -1.118 60.036 61.300 -0.243 0.000 1.019 345 I CB 2.338 40.132 38.000 -0.344 0.000 1.227 345 I HN 0.632 nan 8.210 nan 0.000 0.434 346 G N 4.521 113.264 108.800 -0.095 0.000 2.332 346 G HA2 0.492 4.453 3.960 0.001 0.000 0.310 346 G HA3 0.492 4.453 3.960 0.001 0.000 0.310 346 G C -0.722 174.172 174.900 -0.010 0.000 1.123 346 G CA -0.547 44.528 45.100 -0.042 0.000 0.873 346 G HN 0.592 nan 8.290 nan 0.000 0.460 347 L N 5.603 126.821 121.223 -0.010 0.000 2.314 347 L HA 0.378 4.718 4.340 0.001 0.000 0.275 347 L C -1.972 174.897 176.870 -0.002 0.000 1.068 347 L CA -1.981 52.861 54.840 0.003 0.000 0.894 347 L CB 1.318 43.376 42.059 -0.001 0.000 1.275 347 L HN 0.299 nan 8.230 nan 0.000 0.432 348 P HA 0.163 nan 4.420 nan 0.000 0.265 348 P C -2.196 175.074 177.300 -0.050 0.000 1.222 348 P CA -1.085 61.995 63.100 -0.033 0.000 0.767 348 P CB 0.502 32.173 31.700 -0.048 0.000 0.801 349 P HA -0.168 nan 4.420 nan 0.000 0.218 349 P C 0.932 178.175 177.300 -0.095 0.000 1.149 349 P CA 1.521 64.594 63.100 -0.044 0.000 0.817 349 P CB 0.263 31.960 31.700 -0.004 0.000 0.785 350 E N 0.047 120.149 120.200 -0.163 0.000 2.110 350 E HA -0.126 4.224 4.350 0.001 0.000 0.193 350 E C 1.916 178.309 176.600 -0.344 0.000 0.988 350 E CA 0.948 57.165 56.400 -0.305 0.000 0.804 350 E CB -0.691 28.682 29.700 -0.545 0.000 0.745 350 E HN 0.139 nan 8.360 nan 0.000 0.458 351 R N 0.094 120.430 120.500 -0.274 0.000 2.335 351 R HA 0.185 4.526 4.340 0.001 0.000 0.223 351 R C -0.332 175.922 176.300 -0.076 0.000 0.940 351 R CA -0.063 55.904 56.100 -0.221 0.000 1.086 351 R CB -0.750 29.395 30.300 -0.257 0.000 1.073 351 R HN 0.177 nan 8.270 nan 0.000 0.504 352 C N 0.691 119.933 119.300 -0.097 0.000 2.405 352 C HA 0.381 4.841 4.460 0.001 0.000 0.365 352 C C 0.481 175.394 174.990 -0.127 0.000 1.233 352 C CA -0.558 58.453 59.018 -0.013 0.000 2.230 352 C CB 0.413 28.145 27.740 -0.013 0.000 2.443 352 C HN 0.427 nan 8.230 nan 0.000 0.556 353 H N 0.486 119.516 119.070 -0.066 0.000 2.651 353 H HA 0.825 5.381 4.556 0.000 0.000 0.353 353 H C -0.777 174.356 175.328 -0.325 0.000 1.178 353 H CA -0.624 55.303 56.048 -0.201 0.000 1.224 353 H CB 1.133 30.811 29.762 -0.141 0.000 1.702 353 H HN 0.477 nan 8.280 nan 0.000 0.550 354 L N 1.868 122.786 121.223 -0.508 0.000 2.470 354 L HA 0.471 4.811 4.340 0.001 0.000 0.268 354 L C -1.913 174.553 176.870 -0.673 0.000 0.964 354 L CA -0.337 54.265 54.840 -0.397 0.000 0.839 354 L CB 0.875 42.836 42.059 -0.163 0.000 1.276 354 L HN 0.485 nan 8.230 nan 0.000 0.403 355 F N 3.292 123.315 119.950 0.123 0.000 2.482 355 F HA 0.644 5.172 4.527 0.000 0.000 0.331 355 F C 0.648 176.481 175.800 0.054 0.000 1.115 355 F CA -0.761 57.293 58.000 0.091 0.000 0.955 355 F CB 1.518 40.569 39.000 0.084 0.000 1.136 355 F HN 0.323 nan 8.300 nan 0.000 0.452 356 R N 0.947 121.555 120.500 0.179 0.000 2.822 356 R HA 0.048 4.388 4.340 0.001 0.000 0.277 356 R C 1.349 177.714 176.300 0.108 0.000 1.102 356 R CA -0.395 55.770 56.100 0.109 0.000 1.207 356 R CB 0.360 30.708 30.300 0.079 0.000 1.139 356 R HN 0.787 nan 8.270 nan 0.000 0.557 357 E N 0.874 121.113 120.200 0.066 0.000 2.160 357 E HA -0.218 4.132 4.350 0.001 0.000 0.195 357 E C 0.999 177.621 176.600 0.037 0.000 0.991 357 E CA 1.622 58.049 56.400 0.045 0.000 0.810 357 E CB 0.028 29.744 29.700 0.028 0.000 0.742 357 E HN 0.571 nan 8.360 nan 0.000 0.466 358 D N -1.320 119.106 120.400 0.044 0.000 2.378 358 D HA -0.037 4.603 4.640 0.001 0.000 0.227 358 D C 1.312 177.639 176.300 0.045 0.000 1.012 358 D CA 1.008 55.028 54.000 0.034 0.000 0.905 358 D CB 0.076 40.897 40.800 0.034 0.000 0.895 358 D HN 0.321 nan 8.370 nan 0.000 0.532 359 G N 0.106 108.952 108.800 0.077 0.000 2.253 359 G HA2 -0.306 3.654 3.960 0.001 0.000 0.251 359 G HA3 -0.306 3.654 3.960 0.001 0.000 0.251 359 G C 0.589 175.608 174.900 0.199 0.000 0.998 359 G CA 0.697 45.849 45.100 0.087 0.000 0.621 359 G HN 0.859 nan 8.290 nan 0.000 0.524 360 T N -0.361 114.300 114.554 0.179 0.000 2.900 360 T HA 0.663 5.013 4.350 0.001 0.000 0.307 360 T C 0.634 175.512 174.700 0.297 0.000 1.065 360 T CA 0.738 62.964 62.100 0.209 0.000 1.105 360 T CB 1.754 70.698 68.868 0.126 0.000 0.979 360 T HN 1.791 nan 8.240 nan 0.000 0.544 361 A N 1.212 124.215 122.820 0.306 0.000 2.286 361 A HA 0.533 4.853 4.320 0.001 0.000 0.286 361 A C 0.389 178.003 177.584 0.049 0.000 1.097 361 A CA -0.941 51.202 52.037 0.177 0.000 0.821 361 A CB 0.355 19.501 19.000 0.243 0.000 1.076 361 A HN 1.036 nan 8.150 nan 0.000 0.490 362 C N 2.195 121.457 119.300 -0.062 0.000 2.116 362 C HA 0.406 4.866 4.460 0.001 0.000 0.367 362 C C 0.905 175.880 174.990 -0.024 0.000 1.039 362 C CA -0.582 58.414 59.018 -0.038 0.000 1.465 362 C CB -1.803 25.898 27.740 -0.065 0.000 1.783 362 C HN 0.918 nan 8.230 nan 0.000 0.470 363 R N 3.075 123.586 120.500 0.018 0.000 3.752 363 R HA -0.137 4.203 4.340 0.001 0.000 0.227 363 R C 0.401 176.717 176.300 0.027 0.000 0.592 363 R CA 0.804 56.925 56.100 0.035 0.000 0.981 363 R CB -0.195 30.104 30.300 -0.001 0.000 0.973 363 R HN 0.629 nan 8.270 nan 0.000 0.330 364 R N 4.740 125.288 120.500 0.079 0.000 2.585 364 R HA -0.061 4.279 4.340 0.001 0.000 0.275 364 R C 0.853 177.209 176.300 0.092 0.000 1.018 364 R CA 0.087 56.232 56.100 0.075 0.000 1.072 364 R CB 0.346 30.708 30.300 0.103 0.000 0.953 364 R HN 0.649 nan 8.270 nan 0.000 0.419 365 L N 1.609 122.870 121.223 0.063 0.000 2.446 365 L HA 0.027 4.367 4.340 0.001 0.000 0.219 365 L C 0.909 177.819 176.870 0.066 0.000 1.116 365 L CA 0.052 54.913 54.840 0.036 0.000 0.844 365 L CB -0.311 41.763 42.059 0.024 0.000 0.970 365 L HN 0.590 nan 8.230 nan 0.000 0.457 366 H N 1.683 120.766 119.070 0.022 0.000 2.929 366 H HA 0.093 4.650 4.556 0.000 0.000 0.317 366 H C -0.223 175.144 175.328 0.064 0.000 1.031 366 H CA -0.033 56.021 56.048 0.011 0.000 1.466 366 H CB 0.487 30.228 29.762 -0.035 0.000 1.482 366 H HN -0.189 nan 8.280 nan 0.000 0.561 367 K N 4.699 124.784 120.400 -0.525 0.000 2.273 367 K HA 0.143 4.464 4.320 0.001 0.000 0.287 367 K C -0.308 175.915 176.600 -0.628 0.000 1.089 367 K CA -0.388 55.668 56.287 -0.384 0.000 0.909 367 K CB 0.534 32.887 32.500 -0.245 0.000 1.123 367 K HN 0.590 nan 8.250 nan 0.000 0.473 368 E N 3.904 123.897 120.200 -0.346 0.000 2.266 368 E HA 0.207 4.557 4.350 0.001 0.000 0.277 368 E C -2.094 174.400 176.600 -0.176 0.000 1.018 368 E CA -2.001 54.187 56.400 -0.354 0.000 0.840 368 E CB 0.720 29.922 29.700 -0.830 0.000 1.082 368 E HN 0.430 nan 8.360 nan 0.000 0.395 369 P HA 0.167 nan 4.420 nan 0.000 0.267 369 P C 0.214 177.555 177.300 0.068 0.000 1.209 369 P CA 0.293 63.392 63.100 -0.001 0.000 0.763 369 P CB 0.623 32.336 31.700 0.020 0.000 0.816 370 G N 0.000 108.844 108.800 0.073 0.000 5.446 370 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 370 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 370 G CA 0.000 45.169 45.100 0.114 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925