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 3he3_1_I DATA FIRST_RESID 27 DATA SEQUENCE SKGFDYLIVG AGFAGSVLAE RLASSGQRVL IVDRRPHIGG NAYDCYDDAG DATA SEQUENCE VLIHPYGPHI FHTNSKDVFE YLSRFTEWRP YQHRVLASVD GQLLPIPINL DATA SEQUENCE DTVNRLYGLN LTSFQVEEFF ASVAEKVEQV RTSEDVVVSK VGRDLYNKFF DATA SEQUENCE RGYTRKQWGL DPSELDASVT ARVPTRTNRD NRYFADTYQA MPLHGYTRMF DATA SEQUENCE QNMLSSPNIK VMLNTDYREI ADFIPFQHMI YTGPVDAFFD FCYGKLPYRS DATA SEQUENCE LEFRHETHDT EQLLPTGTVN YPNDYAYTRV SEFKHITGQR HHQTSVVYEY DATA SEQUENCE PRAEGDPYYP VPRPENAELY KKYEALADAA QDVTFVGRLA TYRYYNMDQV DATA SEQUENCE VAQALATFRR LQGQ 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.537 174.600 -0.105 0.000 1.055 27 S CA 0.000 58.144 58.200 -0.094 0.000 1.107 27 S CB 0.000 63.108 63.200 -0.153 0.000 0.593 28 K N 1.114 121.451 120.400 -0.106 0.000 2.373 28 K HA 0.569 4.889 4.320 -0.000 0.000 0.200 28 K C 0.574 177.113 176.600 -0.103 0.000 1.054 28 K CA 0.888 57.125 56.287 -0.082 0.000 1.065 28 K CB 0.708 33.181 32.500 -0.046 0.000 0.886 28 K HN 0.907 nan 8.250 nan 0.000 0.546 29 G N -1.237 107.447 108.800 -0.193 0.000 2.356 29 G HA2 0.281 4.241 3.960 -0.000 0.000 0.281 29 G HA3 0.281 4.241 3.960 -0.000 0.000 0.281 29 G C -1.665 173.008 174.900 -0.378 0.000 1.246 29 G CA -0.939 44.037 45.100 -0.207 0.000 0.889 29 G HN -0.037 nan 8.290 nan 0.000 0.486 30 F N 0.127 120.143 119.950 0.110 0.000 2.561 30 F HA 0.464 4.991 4.527 -0.000 0.000 0.321 30 F C 0.831 176.707 175.800 0.126 0.000 1.065 30 F CA -0.756 57.321 58.000 0.130 0.000 0.934 30 F CB 2.510 41.605 39.000 0.158 0.000 1.215 30 F HN 0.382 nan 8.300 nan 0.000 0.471 31 D N 0.609 121.214 120.400 0.342 0.000 2.162 31 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 31 D C -0.510 175.807 176.300 0.028 0.000 0.964 31 D CA 1.666 55.769 54.000 0.170 0.000 0.847 31 D CB 0.223 41.166 40.800 0.238 0.000 0.988 31 D HN 0.299 nan 8.370 nan 0.000 0.480 32 Y N -0.279 120.168 120.300 0.245 0.000 2.442 32 Y HA 0.371 4.921 4.550 -0.000 0.000 0.344 32 Y C -0.587 175.292 175.900 -0.034 0.000 0.976 32 Y CA -1.155 57.032 58.100 0.145 0.000 1.040 32 Y CB 2.115 40.635 38.460 0.099 0.000 1.228 32 Y HN -0.256 nan 8.280 nan 0.000 0.451 33 L N 5.386 126.553 121.223 -0.093 0.000 2.277 33 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 33 L C -1.326 175.368 176.870 -0.294 0.000 1.028 33 L CA -0.306 54.293 54.840 -0.401 0.000 0.835 33 L CB 0.095 41.547 42.059 -1.012 0.000 1.215 33 L HN 0.501 nan 8.230 nan 0.000 0.425 34 I N 5.941 126.385 120.570 -0.211 0.000 2.315 34 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 34 I C -0.477 175.509 176.117 -0.218 0.000 1.006 34 I CA -0.876 60.316 61.300 -0.180 0.000 1.265 34 I CB 1.550 39.468 38.000 -0.136 0.000 1.387 34 I HN 0.262 nan 8.210 nan 0.000 0.475 35 V N 5.633 125.399 119.914 -0.246 0.000 2.348 35 V HA 0.737 4.857 4.120 -0.000 0.000 0.270 35 V C 0.528 176.443 176.094 -0.298 0.000 1.037 35 V CA -0.418 61.728 62.300 -0.257 0.000 0.872 35 V CB 0.375 32.018 31.823 -0.300 0.000 1.002 35 V HN 1.083 nan 8.190 nan 0.000 0.464 36 G N 3.959 112.613 108.800 -0.244 0.000 3.226 36 G HA2 0.329 4.289 3.960 -0.000 0.000 0.685 36 G HA3 0.329 4.289 3.960 -0.000 0.000 0.685 36 G C -0.200 174.566 174.900 -0.223 0.000 1.207 36 G CA -0.274 44.676 45.100 -0.250 0.000 0.877 36 G HN 1.403 nan 8.290 nan 0.000 0.585 37 A N 1.511 124.181 122.820 -0.249 0.000 2.713 37 A HA 0.778 5.098 4.320 -0.000 0.000 0.296 37 A C 1.426 178.788 177.584 -0.369 0.000 1.255 37 A CA 1.173 53.050 52.037 -0.267 0.000 0.955 37 A CB -0.187 18.649 19.000 -0.274 0.000 1.149 37 A HN 2.087 nan 8.150 nan 0.000 0.538 38 G N -1.170 107.460 108.800 -0.285 0.000 2.504 38 G HA2 0.379 4.339 3.960 -0.000 0.000 0.257 38 G HA3 0.379 4.339 3.960 -0.000 0.000 0.257 38 G C 0.597 175.454 174.900 -0.072 0.000 1.451 38 G CA -0.392 44.538 45.100 -0.284 0.000 1.059 38 G HN 0.179 nan 8.290 nan 0.000 0.550 39 F N 0.714 120.764 119.950 0.166 0.000 2.134 39 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 39 F C 3.043 178.916 175.800 0.121 0.000 1.097 39 F CA 1.659 59.815 58.000 0.260 0.000 1.264 39 F CB -0.140 38.990 39.000 0.217 0.000 1.001 39 F HN 0.335 nan 8.300 nan 0.000 0.479 40 A N 0.251 123.213 122.820 0.237 0.000 1.845 40 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 40 A C 2.533 180.143 177.584 0.044 0.000 1.195 40 A CA 1.937 54.047 52.037 0.122 0.000 0.616 40 A CB -1.640 17.406 19.000 0.076 0.000 0.832 40 A HN 0.397 nan 8.150 nan 0.000 0.443 41 G N -1.165 107.625 108.800 -0.018 0.000 2.418 41 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 41 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 41 G C 1.828 176.693 174.900 -0.059 0.000 1.158 41 G CA 1.355 46.411 45.100 -0.073 0.000 0.771 41 G HN 0.487 nan 8.290 nan 0.000 0.545 42 S N -0.179 115.511 115.700 -0.016 0.000 2.371 42 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 42 S C 2.538 177.121 174.600 -0.028 0.000 1.029 42 S CA 0.941 59.135 58.200 -0.009 0.000 0.978 42 S CB -0.210 63.064 63.200 0.124 0.000 0.833 42 S HN 0.173 nan 8.310 nan 0.000 0.466 43 V N 2.235 122.173 119.914 0.041 0.000 2.255 43 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 43 V C 2.242 178.290 176.094 -0.076 0.000 1.051 43 V CA 1.711 64.037 62.300 0.044 0.000 1.018 43 V CB -0.698 31.184 31.823 0.099 0.000 0.641 43 V HN 0.388 nan 8.190 nan 0.000 0.445 44 L N -0.229 120.944 121.223 -0.084 0.000 2.079 44 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 44 L C 2.652 179.399 176.870 -0.204 0.000 1.081 44 L CA 1.634 56.387 54.840 -0.145 0.000 0.752 44 L CB -0.681 41.327 42.059 -0.085 0.000 0.896 44 L HN 0.381 nan 8.230 nan 0.000 0.433 45 A N -0.660 122.069 122.820 -0.152 0.000 1.877 45 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 45 A C 2.317 179.811 177.584 -0.150 0.000 1.186 45 A CA 1.808 53.758 52.037 -0.144 0.000 0.620 45 A CB -0.561 18.372 19.000 -0.112 0.000 0.822 45 A HN 0.413 nan 8.150 nan 0.000 0.443 46 E N 0.001 120.111 120.200 -0.149 0.000 2.085 46 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 46 E C 2.220 178.727 176.600 -0.156 0.000 0.994 46 E CA 1.099 57.420 56.400 -0.132 0.000 0.801 46 E CB -0.232 29.371 29.700 -0.162 0.000 0.743 46 E HN 0.419 nan 8.360 nan 0.000 0.453 47 R N 0.102 120.407 120.500 -0.325 0.000 2.061 47 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 47 R C 2.543 178.450 176.300 -0.655 0.000 1.140 47 R CA 0.574 56.226 56.100 -0.746 0.000 0.940 47 R CB -1.191 28.175 30.300 -1.556 0.000 0.839 47 R HN 0.209 nan 8.270 nan 0.000 0.429 48 L N 0.963 121.903 121.223 -0.471 0.000 2.021 48 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 48 L C 2.488 179.344 176.870 -0.024 0.000 1.074 48 L CA 2.147 56.913 54.840 -0.123 0.000 0.760 48 L CB -1.306 40.601 42.059 -0.254 0.000 0.889 48 L HN 0.218 nan 8.230 nan 0.000 0.433 49 A N -1.146 121.641 122.820 -0.056 0.000 1.933 49 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 49 A C 2.466 180.067 177.584 0.028 0.000 1.175 49 A CA 1.962 54.005 52.037 0.010 0.000 0.628 49 A CB -0.866 18.131 19.000 -0.004 0.000 0.814 49 A HN 0.570 nan 8.150 nan 0.000 0.444 50 S N 0.268 115.970 115.700 0.002 0.000 2.447 50 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 50 S C 1.597 176.241 174.600 0.074 0.000 1.006 50 S CA 1.417 59.638 58.200 0.036 0.000 0.957 50 S CB -0.659 62.560 63.200 0.031 0.000 0.773 50 S HN 0.929 nan 8.310 nan 0.000 0.507 51 S N -0.360 115.402 115.700 0.103 0.000 2.622 51 S HA 0.558 5.028 4.470 -0.000 0.000 0.236 51 S C 1.352 176.029 174.600 0.129 0.000 0.956 51 S CA 0.209 58.501 58.200 0.152 0.000 0.971 51 S CB -0.390 62.969 63.200 0.264 0.000 0.782 51 S HN 1.398 nan 8.310 nan 0.000 0.468 52 G N 0.645 109.507 108.800 0.104 0.000 2.195 52 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.246 52 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.246 52 G C -0.047 174.924 174.900 0.118 0.000 0.984 52 G CA -0.127 45.032 45.100 0.098 0.000 0.633 52 G HN 0.564 nan 8.290 nan 0.000 0.525 53 Q N 0.417 120.306 119.800 0.149 0.000 2.373 53 Q HA 0.460 4.800 4.340 -0.000 0.000 0.255 53 Q C 0.433 176.553 176.000 0.199 0.000 0.980 53 Q CA 0.029 55.955 55.803 0.205 0.000 0.882 53 Q CB 0.746 29.656 28.738 0.287 0.000 1.249 53 Q HN 0.534 nan 8.270 nan 0.000 0.438 54 R N 0.613 121.260 120.500 0.245 0.000 2.202 54 R HA 0.441 4.781 4.340 -0.000 0.000 0.334 54 R C -0.618 175.933 176.300 0.418 0.000 1.036 54 R CA -0.341 55.936 56.100 0.295 0.000 0.878 54 R CB 0.871 31.317 30.300 0.244 0.000 1.067 54 R HN 0.243 nan 8.270 nan 0.000 0.457 55 V N 4.859 124.958 119.914 0.309 0.000 2.495 55 V HA 0.323 4.443 4.120 -0.000 0.000 0.298 55 V C -0.813 175.227 176.094 -0.090 0.000 1.031 55 V CA -0.931 61.459 62.300 0.149 0.000 0.871 55 V CB 1.825 33.678 31.823 0.050 0.000 0.988 55 V HN 0.492 nan 8.190 nan 0.000 0.432 56 L N 6.560 127.510 121.223 -0.456 0.000 2.294 56 L HA 0.648 4.988 4.340 -0.000 0.000 0.283 56 L C -0.637 176.010 176.870 -0.372 0.000 1.015 56 L CA 0.082 54.499 54.840 -0.705 0.000 0.831 56 L CB 1.059 42.271 42.059 -1.411 0.000 1.217 56 L HN 0.681 nan 8.230 nan 0.000 0.420 57 I N 5.727 126.147 120.570 -0.250 0.000 2.339 57 I HA 0.547 4.717 4.170 -0.000 0.000 0.290 57 I C -1.183 174.823 176.117 -0.184 0.000 0.994 57 I CA -0.521 60.661 61.300 -0.197 0.000 1.191 57 I CB 1.545 39.453 38.000 -0.154 0.000 1.343 57 I HN 0.519 nan 8.210 nan 0.000 0.458 58 V N 7.487 127.292 119.914 -0.181 0.000 2.715 58 V HA 0.640 4.760 4.120 -0.000 0.000 0.310 58 V C -1.257 174.745 176.094 -0.154 0.000 1.054 58 V CA -0.183 62.026 62.300 -0.151 0.000 0.928 58 V CB 1.978 33.727 31.823 -0.123 0.000 1.007 58 V HN 0.826 nan 8.190 nan 0.000 0.437 59 D N 3.146 123.455 120.400 -0.152 0.000 2.859 59 D HA 0.328 4.968 4.640 -0.000 0.000 0.223 59 D C 0.626 176.831 176.300 -0.158 0.000 1.218 59 D CA -0.508 53.385 54.000 -0.179 0.000 0.850 59 D CB 2.330 42.979 40.800 -0.253 0.000 1.656 59 D HN 0.695 nan 8.370 nan 0.000 0.484 60 R N 1.846 122.263 120.500 -0.140 0.000 2.189 60 R HA 0.118 4.458 4.340 -0.000 0.000 0.218 60 R C 0.658 176.866 176.300 -0.153 0.000 1.074 60 R CA 0.309 56.342 56.100 -0.112 0.000 0.991 60 R CB 0.114 30.370 30.300 -0.072 0.000 0.883 60 R HN 0.069 nan 8.270 nan 0.000 0.457 61 R N 1.285 121.634 120.500 -0.252 0.000 2.531 61 R HA 0.133 4.473 4.340 -0.000 0.000 0.273 61 R C -1.838 174.247 176.300 -0.358 0.000 1.070 61 R CA -1.950 53.933 56.100 -0.362 0.000 1.112 61 R CB 0.448 30.336 30.300 -0.687 0.000 1.049 61 R HN -0.032 nan 8.270 nan 0.000 0.508 62 P HA -0.040 nan 4.420 nan 0.000 0.237 62 P C -0.953 176.245 177.300 -0.169 0.000 1.178 62 P CA 0.937 63.943 63.100 -0.158 0.000 0.766 62 P CB 0.081 31.746 31.700 -0.058 0.000 0.876 63 H N -2.006 116.894 119.070 -0.283 0.000 2.894 63 H HA 0.576 5.131 4.556 -0.000 0.000 0.368 63 H C 0.114 175.232 175.328 -0.350 0.000 1.181 63 H CA -1.590 54.228 56.048 -0.383 0.000 1.146 63 H CB 0.659 29.904 29.762 -0.861 0.000 1.839 63 H HN -0.184 nan 8.280 nan 0.000 0.557 64 I N -1.544 118.950 120.570 -0.128 0.000 3.078 64 I HA 0.669 4.839 4.170 -0.000 0.000 0.318 64 I C 0.925 176.891 176.117 -0.252 0.000 1.016 64 I CA -0.204 60.963 61.300 -0.222 0.000 1.130 64 I CB 1.092 38.982 38.000 -0.183 0.000 1.397 64 I HN 1.053 nan 8.210 nan 0.000 0.570 65 G N 1.005 109.366 108.800 -0.731 0.000 2.213 65 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.226 65 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.226 65 G C 0.928 175.347 174.900 -0.802 0.000 0.992 65 G CA 0.177 44.480 45.100 -1.330 0.000 0.632 65 G HN 2.091 nan 8.290 nan 0.000 0.511 66 G N 0.862 109.399 108.800 -0.438 0.000 2.622 66 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.307 66 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.307 66 G C 0.877 175.619 174.900 -0.262 0.000 1.226 66 G CA 1.074 45.990 45.100 -0.307 0.000 0.997 66 G HN 1.117 nan 8.290 nan 0.000 0.551 67 N N 1.221 119.769 118.700 -0.252 0.000 2.396 67 N HA 0.179 4.919 4.740 -0.000 0.000 0.180 67 N C 2.234 177.438 175.510 -0.511 0.000 1.028 67 N CA 1.656 54.530 53.050 -0.293 0.000 0.893 67 N CB -0.418 38.076 38.487 0.012 0.000 0.967 67 N HN 0.910 nan 8.380 nan 0.000 0.440 68 A N -0.491 122.040 122.820 -0.482 0.000 2.238 68 A HA -0.013 4.307 4.320 -0.000 0.000 0.208 68 A C 0.332 177.620 177.584 -0.493 0.000 1.177 68 A CA -0.384 51.205 52.037 -0.747 0.000 0.804 68 A CB -0.654 18.126 19.000 -0.366 0.000 0.823 68 A HN 0.311 nan 8.150 nan 0.000 0.482 69 Y N 2.667 122.740 120.300 -0.378 0.000 2.810 69 Y HA 0.213 4.763 4.550 -0.000 0.000 0.332 69 Y C -0.124 175.636 175.900 -0.233 0.000 1.243 69 Y CA -0.003 57.939 58.100 -0.263 0.000 1.537 69 Y CB 0.251 38.531 38.460 -0.299 0.000 1.265 69 Y HN 0.519 nan 8.280 nan 0.000 0.572 70 D N 4.806 124.728 120.400 -0.798 0.000 2.601 70 D HA 0.553 5.193 4.640 -0.000 0.000 0.230 70 D C -1.154 174.613 176.300 -0.889 0.000 1.106 70 D CA -0.635 52.965 54.000 -0.666 0.000 0.873 70 D CB 0.990 41.720 40.800 -0.117 0.000 1.515 70 D HN 0.717 nan 8.370 nan 0.000 0.468 71 C N -0.864 118.035 119.300 -0.668 0.000 3.288 71 C HA 0.704 5.164 4.460 -0.000 0.000 0.318 71 C C -1.220 173.547 174.990 -0.372 0.000 1.356 71 C CA -1.131 57.618 59.018 -0.448 0.000 1.359 71 C CB 0.012 27.540 27.740 -0.354 0.000 1.688 71 C HN 0.613 nan 8.230 nan 0.000 0.467 72 Y N 2.280 122.462 120.300 -0.196 0.000 2.316 72 Y HA 0.422 4.972 4.550 -0.000 0.000 0.331 72 Y C 1.126 176.937 175.900 -0.148 0.000 1.083 72 Y CA 0.681 58.687 58.100 -0.157 0.000 1.206 72 Y CB 0.755 39.157 38.460 -0.097 0.000 1.195 72 Y HN 0.866 nan 8.280 nan 0.000 0.497 73 D N 0.245 120.617 120.400 -0.045 0.000 2.478 73 D HA 0.006 4.646 4.640 -0.000 0.000 0.274 73 D C 0.343 176.638 176.300 -0.009 0.000 1.234 73 D CA -0.281 53.678 54.000 -0.068 0.000 1.069 73 D CB 0.421 41.147 40.800 -0.124 0.000 1.113 73 D HN 0.413 nan 8.370 nan 0.000 0.571 74 D N -0.839 119.550 120.400 -0.019 0.000 2.218 74 D HA -0.053 4.587 4.640 -0.000 0.000 0.204 74 D C 1.634 177.948 176.300 0.023 0.000 0.976 74 D CA 1.737 55.739 54.000 0.003 0.000 0.853 74 D CB -0.431 40.368 40.800 -0.001 0.000 0.939 74 D HN 0.528 nan 8.370 nan 0.000 0.481 75 A N -0.498 122.326 122.820 0.007 0.000 2.208 75 A HA 0.408 4.728 4.320 -0.000 0.000 0.209 75 A C 1.763 179.396 177.584 0.081 0.000 1.161 75 A CA 1.075 53.126 52.037 0.024 0.000 0.782 75 A CB -0.089 18.884 19.000 -0.045 0.000 0.816 75 A HN 0.246 nan 8.150 nan 0.000 0.477 76 G N -1.626 107.223 108.800 0.083 0.000 2.131 76 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.223 76 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.223 76 G C 0.028 175.037 174.900 0.181 0.000 0.990 76 G CA 0.068 45.294 45.100 0.210 0.000 0.671 76 G HN 0.786 nan 8.290 nan 0.000 0.521 77 V N 1.453 121.302 119.914 -0.109 0.000 2.407 77 V HA 0.578 4.698 4.120 -0.000 0.000 0.278 77 V C 0.776 176.699 176.094 -0.285 0.000 1.037 77 V CA -0.891 61.257 62.300 -0.253 0.000 0.900 77 V CB 1.594 33.209 31.823 -0.346 0.000 0.983 77 V HN 0.426 nan 8.190 nan 0.000 0.459 78 L N 7.997 128.931 121.223 -0.482 0.000 2.500 78 L HA 0.403 4.743 4.340 -0.000 0.000 0.272 78 L C -0.155 176.337 176.870 -0.631 0.000 1.149 78 L CA 0.774 55.132 54.840 -0.804 0.000 0.897 78 L CB -0.313 41.236 42.059 -0.850 0.000 1.178 78 L HN 0.655 nan 8.230 nan 0.000 0.473 79 I N 1.000 121.129 120.570 -0.734 0.000 3.294 79 I HA 0.542 4.712 4.170 -0.000 0.000 0.311 79 I C -0.960 174.536 176.117 -1.035 0.000 1.111 79 I CA -0.903 59.659 61.300 -1.231 0.000 0.976 79 I CB 2.083 39.544 38.000 -0.897 0.000 1.260 79 I HN 0.536 nan 8.210 nan 0.000 0.474 80 H N 1.090 119.319 119.070 -1.402 0.000 2.725 80 H HA 0.307 4.863 4.556 -0.000 0.000 0.283 80 H C -2.157 172.974 175.328 -0.328 0.000 1.110 80 H CA -1.869 53.833 56.048 -0.577 0.000 1.289 80 H CB 1.199 30.866 29.762 -0.158 0.000 1.400 80 H HN 0.426 nan 8.280 nan 0.000 0.493 81 P HA -0.210 nan 4.420 nan 0.000 0.217 81 P C -0.045 176.853 177.300 -0.670 0.000 1.148 81 P CA 1.468 64.266 63.100 -0.503 0.000 0.828 81 P CB 0.078 31.350 31.700 -0.713 0.000 0.783 82 Y N -1.110 118.960 120.300 -0.383 0.000 2.756 82 Y HA 0.521 5.071 4.550 0.000 0.000 0.300 82 Y C 1.325 176.815 175.900 -0.683 0.000 1.113 82 Y CA -0.121 57.489 58.100 -0.815 0.000 1.291 82 Y CB -0.033 38.243 38.460 -0.306 0.000 1.175 82 Y HN -0.072 nan 8.280 nan 0.000 0.534 83 G N 1.284 109.906 108.800 -0.296 0.000 2.662 83 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 83 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 83 G C -3.087 172.134 174.900 0.535 0.000 1.271 83 G CA -1.527 43.703 45.100 0.217 0.000 0.816 83 G HN -0.033 nan 8.290 nan 0.000 0.608 84 P HA 0.177 nan 4.420 nan 0.000 0.265 84 P C -0.629 176.933 177.300 0.437 0.000 1.222 84 P CA 0.548 63.982 63.100 0.557 0.000 0.767 84 P CB 0.166 31.995 31.700 0.215 0.000 0.801 85 H N 3.272 122.613 119.070 0.450 0.000 2.673 85 H HA 0.413 4.969 4.556 -0.000 0.000 0.293 85 H C -0.000 175.566 175.328 0.397 0.000 1.065 85 H CA -0.408 55.771 56.048 0.218 0.000 1.236 85 H CB 0.031 29.702 29.762 -0.152 0.000 1.389 85 H HN 0.263 nan 8.280 nan 0.000 0.481 86 I N 3.400 124.213 120.570 0.405 0.000 2.331 86 I HA 0.107 4.277 4.170 -0.000 0.000 0.292 86 I C -0.249 176.156 176.117 0.479 0.000 0.998 86 I CA -0.484 61.099 61.300 0.471 0.000 1.267 86 I CB 0.404 38.608 38.000 0.341 0.000 1.386 86 I HN 0.396 nan 8.210 nan 0.000 0.476 87 F N 7.611 127.808 119.950 0.411 0.000 2.410 87 F HA 0.514 5.041 4.527 -0.000 0.000 0.348 87 F C 0.059 175.956 175.800 0.163 0.000 1.106 87 F CA 0.038 58.199 58.000 0.268 0.000 1.163 87 F CB 0.160 39.407 39.000 0.411 0.000 1.129 87 F HN 0.669 nan 8.300 nan 0.000 0.516 88 H N 1.325 119.786 119.070 -1.016 0.000 3.046 88 H HA 0.665 5.221 4.556 -0.000 0.000 0.363 88 H C -1.301 173.495 175.328 -0.888 0.000 1.203 88 H CA -1.045 54.501 56.048 -0.837 0.000 1.169 88 H CB 1.915 31.188 29.762 -0.816 0.000 1.851 88 H HN 0.591 nan 8.280 nan 0.000 0.546 89 T N 0.804 115.071 114.554 -0.479 0.000 2.886 89 T HA 0.232 4.582 4.350 -0.000 0.000 0.330 89 T C -0.630 174.041 174.700 -0.048 0.000 1.488 89 T CA -0.771 61.148 62.100 -0.302 0.000 1.054 89 T CB 1.306 70.019 68.868 -0.260 0.000 1.348 89 T HN 0.750 nan 8.240 nan 0.000 0.489 90 N N 1.123 119.813 118.700 -0.017 0.000 2.254 90 N HA 0.132 4.872 4.740 -0.000 0.000 0.190 90 N C 0.139 175.727 175.510 0.129 0.000 1.107 90 N CA 0.101 53.172 53.050 0.034 0.000 0.869 90 N CB 0.832 39.310 38.487 -0.015 0.000 0.983 90 N HN 0.484 nan 8.380 nan 0.000 0.487 91 S N 0.873 116.635 115.700 0.105 0.000 2.411 91 S HA 0.162 4.632 4.470 -0.000 0.000 0.294 91 S C 1.252 175.890 174.600 0.064 0.000 1.115 91 S CA -0.541 57.709 58.200 0.084 0.000 1.071 91 S CB 1.046 64.265 63.200 0.032 0.000 0.967 91 S HN 0.111 nan 8.310 nan 0.000 0.488 92 K N 3.582 124.031 120.400 0.081 0.000 2.103 92 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 92 K C 0.732 177.305 176.600 -0.045 0.000 1.048 92 K CA 1.934 58.164 56.287 -0.095 0.000 0.930 92 K CB -0.078 32.458 32.500 0.059 0.000 0.716 92 K HN 0.635 nan 8.250 nan 0.000 0.444 93 D N 0.050 120.467 120.400 0.028 0.000 2.144 93 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 93 D C 1.945 178.306 176.300 0.102 0.000 0.978 93 D CA 0.822 54.856 54.000 0.057 0.000 0.833 93 D CB -0.059 40.770 40.800 0.048 0.000 0.961 93 D HN 0.030 nan 8.370 nan 0.000 0.470 94 V N 0.722 120.699 119.914 0.106 0.000 2.358 94 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 94 V C 2.150 178.398 176.094 0.256 0.000 1.047 94 V CA 1.194 63.602 62.300 0.181 0.000 1.035 94 V CB -0.509 31.407 31.823 0.155 0.000 0.658 94 V HN 0.102 nan 8.190 nan 0.000 0.452 95 F N 0.932 120.882 119.950 -0.000 0.000 2.146 95 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 95 F C 2.431 178.222 175.800 -0.016 0.000 1.096 95 F CA 1.959 59.914 58.000 -0.075 0.000 1.275 95 F CB 0.004 38.692 39.000 -0.520 0.000 1.008 95 F HN 0.162 nan 8.300 nan 0.000 0.480 96 E N -1.239 118.977 120.200 0.026 0.000 2.204 96 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 96 E C 1.765 178.358 176.600 -0.011 0.000 0.989 96 E CA 1.067 57.460 56.400 -0.013 0.000 0.824 96 E CB -0.317 29.399 29.700 0.027 0.000 0.756 96 E HN 0.621 nan 8.360 nan 0.000 0.477 97 Y N 0.840 121.120 120.300 -0.032 0.000 2.163 97 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 97 Y C 1.844 177.742 175.900 -0.003 0.000 1.136 97 Y CA 0.990 59.085 58.100 -0.009 0.000 1.147 97 Y CB -0.115 38.388 38.460 0.071 0.000 0.987 97 Y HN -0.028 nan 8.280 nan 0.000 0.509 98 L N 0.021 121.236 121.223 -0.013 0.000 2.131 98 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 98 L C 2.448 179.195 176.870 -0.204 0.000 1.092 98 L CA 1.780 56.590 54.840 -0.049 0.000 0.759 98 L CB -1.438 40.669 42.059 0.080 0.000 0.903 98 L HN 0.195 nan 8.230 nan 0.000 0.435 99 S N -0.760 114.827 115.700 -0.188 0.000 2.500 99 S HA -0.120 4.350 4.470 -0.000 0.000 0.239 99 S C 1.830 176.190 174.600 -0.400 0.000 0.989 99 S CA 0.594 58.681 58.200 -0.188 0.000 0.951 99 S CB -0.224 62.938 63.200 -0.064 0.000 0.759 99 S HN 0.455 nan 8.310 nan 0.000 0.523 100 R N -0.115 119.979 120.500 -0.677 0.000 2.235 100 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 100 R C 0.539 176.190 176.300 -1.081 0.000 1.059 100 R CA 0.860 56.374 56.100 -0.976 0.000 0.997 100 R CB -0.222 29.233 30.300 -1.408 0.000 0.884 100 R HN 0.503 nan 8.270 nan 0.000 0.462 101 F N -1.107 118.621 119.950 -0.370 0.000 2.746 101 F HA 0.279 4.806 4.527 -0.000 0.000 0.320 101 F C 0.513 176.077 175.800 -0.394 0.000 1.097 101 F CA -0.371 57.418 58.000 -0.352 0.000 1.195 101 F CB 1.110 39.884 39.000 -0.377 0.000 1.056 101 F HN -0.249 nan 8.300 nan 0.000 0.562 102 T N 0.001 114.311 114.554 -0.406 0.000 2.886 102 T HA 0.318 4.668 4.350 -0.000 0.000 0.330 102 T C -1.076 173.160 174.700 -0.774 0.000 1.488 102 T CA -0.520 61.237 62.100 -0.572 0.000 1.054 102 T CB 1.540 69.944 68.868 -0.772 0.000 1.348 102 T HN 0.065 nan 8.240 nan 0.000 0.489 103 E N 1.255 121.088 120.200 -0.612 0.000 2.322 103 E HA 0.519 4.869 4.350 -0.000 0.000 0.257 103 E C -0.994 175.190 176.600 -0.693 0.000 1.155 103 E CA -0.587 55.496 56.400 -0.527 0.000 0.936 103 E CB 1.056 30.605 29.700 -0.252 0.000 1.130 103 E HN 0.497 nan 8.360 nan 0.000 0.465 104 W N 0.341 121.597 121.300 -0.074 0.000 2.761 104 W HA 0.409 5.069 4.660 -0.000 0.000 0.340 104 W C -0.161 176.366 176.519 0.013 0.000 1.072 104 W CA -0.809 56.532 57.345 -0.006 0.000 1.215 104 W CB 1.215 30.756 29.460 0.136 0.000 1.420 104 W HN 0.140 nan 8.180 nan 0.000 0.519 105 R N 3.245 123.929 120.500 0.305 0.000 2.275 105 R HA 0.377 4.717 4.340 -0.000 0.000 0.326 105 R C -2.594 173.893 176.300 0.311 0.000 0.973 105 R CA -1.811 54.422 56.100 0.222 0.000 0.854 105 R CB 0.940 31.310 30.300 0.116 0.000 1.156 105 R HN 0.097 nan 8.270 nan 0.000 0.487 106 P HA -0.092 nan 4.420 nan 0.000 0.261 106 P C -1.637 175.855 177.300 0.320 0.000 1.183 106 P CA 0.578 63.829 63.100 0.252 0.000 0.761 106 P CB 0.037 31.838 31.700 0.169 0.000 0.785 107 Y N 2.278 122.681 120.300 0.171 0.000 2.348 107 Y HA 0.261 4.811 4.550 -0.000 0.000 0.321 107 Y C -1.311 174.707 175.900 0.196 0.000 1.163 107 Y CA -0.590 57.620 58.100 0.183 0.000 1.070 107 Y CB 1.658 40.252 38.460 0.223 0.000 1.250 107 Y HN 0.292 nan 8.280 nan 0.000 0.425 108 Q N 5.349 124.905 119.800 -0.407 0.000 2.394 108 Q HA 0.195 4.535 4.340 -0.000 0.000 0.259 108 Q C -1.085 174.542 176.000 -0.623 0.000 1.021 108 Q CA -0.941 54.649 55.803 -0.355 0.000 0.805 108 Q CB 1.174 29.824 28.738 -0.147 0.000 1.226 108 Q HN 0.695 nan 8.270 nan 0.000 0.476 109 H N 2.675 121.357 119.070 -0.647 0.000 3.001 109 H HA 0.084 4.640 4.556 -0.000 0.000 0.334 109 H C -0.637 174.553 175.328 -0.230 0.000 1.034 109 H CA 0.931 56.733 56.048 -0.410 0.000 1.420 109 H CB 0.457 30.250 29.762 0.051 0.000 1.405 109 H HN 0.413 nan 8.280 nan 0.000 0.593 110 R N 3.333 123.465 120.500 -0.614 0.000 2.628 110 R HA 0.515 4.855 4.340 -0.000 0.000 0.288 110 R C -1.405 174.548 176.300 -0.577 0.000 0.980 110 R CA -1.066 54.764 56.100 -0.451 0.000 0.891 110 R CB 2.191 32.334 30.300 -0.261 0.000 1.188 110 R HN 0.310 nan 8.270 nan 0.000 0.450 111 V N 4.047 123.720 119.914 -0.401 0.000 2.604 111 V HA 0.443 4.563 4.120 -0.000 0.000 0.305 111 V C -0.820 175.138 176.094 -0.227 0.000 1.043 111 V CA -0.919 61.155 62.300 -0.378 0.000 0.888 111 V CB 1.941 33.488 31.823 -0.460 0.000 0.995 111 V HN 0.440 nan 8.190 nan 0.000 0.429 112 L N 3.325 124.412 121.223 -0.227 0.000 2.334 112 L HA 0.879 5.219 4.340 -0.000 0.000 0.273 112 L C 0.256 177.020 176.870 -0.178 0.000 1.013 112 L CA -0.481 54.257 54.840 -0.171 0.000 0.816 112 L CB 1.692 43.650 42.059 -0.169 0.000 1.278 112 L HN 0.811 nan 8.230 nan 0.000 0.431 113 A N 1.246 124.000 122.820 -0.110 0.000 2.318 113 A HA 0.579 4.899 4.320 -0.000 0.000 0.324 113 A C -0.220 177.269 177.584 -0.158 0.000 1.170 113 A CA -0.418 51.548 52.037 -0.119 0.000 0.810 113 A CB 1.022 20.053 19.000 0.050 0.000 1.198 113 A HN 0.587 nan 8.150 nan 0.000 0.484 114 S N 2.221 117.760 115.700 -0.269 0.000 2.701 114 S HA 0.444 4.914 4.470 -0.000 0.000 0.317 114 S C -0.567 173.947 174.600 -0.143 0.000 1.149 114 S CA -0.214 57.870 58.200 -0.194 0.000 1.052 114 S CB -0.875 62.184 63.200 -0.235 0.000 1.257 114 S HN 0.615 nan 8.310 nan 0.000 0.532 115 V N 4.877 124.691 119.914 -0.167 0.000 2.588 115 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 115 V C -0.267 175.740 176.094 -0.146 0.000 1.042 115 V CA -0.767 61.385 62.300 -0.247 0.000 0.877 115 V CB 1.725 33.223 31.823 -0.543 0.000 0.996 115 V HN 0.827 nan 8.190 nan 0.000 0.425 116 D N 3.744 124.074 120.400 -0.117 0.000 2.811 116 D HA -0.184 4.456 4.640 -0.000 0.000 0.231 116 D C 1.289 177.568 176.300 -0.036 0.000 1.157 116 D CA 1.974 55.934 54.000 -0.067 0.000 0.716 116 D CB -1.193 39.568 40.800 -0.064 0.000 1.077 116 D HN 1.499 nan 8.370 nan 0.000 0.428 117 G N -0.931 107.856 108.800 -0.023 0.000 2.148 117 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.254 117 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.254 117 G C 0.175 175.073 174.900 -0.003 0.000 0.981 117 G CA 0.688 45.790 45.100 0.003 0.000 0.670 117 G HN 0.531 nan 8.290 nan 0.000 0.528 118 Q N -1.148 118.638 119.800 -0.024 0.000 2.351 118 Q HA 0.740 5.080 4.340 -0.000 0.000 0.273 118 Q C 0.011 175.987 176.000 -0.039 0.000 1.077 118 Q CA -0.895 54.893 55.803 -0.025 0.000 0.843 118 Q CB 1.717 30.439 28.738 -0.026 0.000 1.367 118 Q HN 0.246 nan 8.270 nan 0.000 0.449 119 L N 3.075 124.274 121.223 -0.039 0.000 2.272 119 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 119 L C -1.277 175.566 176.870 -0.045 0.000 1.045 119 L CA -0.549 54.254 54.840 -0.062 0.000 0.842 119 L CB 0.384 42.400 42.059 -0.071 0.000 1.224 119 L HN 0.282 nan 8.230 nan 0.000 0.430 120 L N 5.622 126.834 121.223 -0.019 0.000 2.342 120 L HA 0.607 4.947 4.340 -0.000 0.000 0.271 120 L C -2.214 174.655 176.870 -0.001 0.000 1.008 120 L CA -2.377 52.475 54.840 0.019 0.000 0.818 120 L CB 1.520 43.653 42.059 0.123 0.000 1.296 120 L HN 0.212 nan 8.230 nan 0.000 0.427 121 P HA 0.216 nan 4.420 nan 0.000 0.267 121 P C -0.856 176.382 177.300 -0.104 0.000 1.209 121 P CA 0.136 63.189 63.100 -0.078 0.000 0.763 121 P CB 0.483 32.130 31.700 -0.087 0.000 0.816 122 I N 5.764 126.281 120.570 -0.089 0.000 2.436 122 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 122 I C -2.641 173.441 176.117 -0.059 0.000 1.010 122 I CA -3.368 57.862 61.300 -0.115 0.000 1.098 122 I CB 1.953 39.904 38.000 -0.082 0.000 1.266 122 I HN 0.168 nan 8.210 nan 0.000 0.434 123 P HA 0.171 nan 4.420 nan 0.000 0.267 123 P C -0.529 176.656 177.300 -0.193 0.000 1.200 123 P CA 0.064 63.047 63.100 -0.195 0.000 0.772 123 P CB 0.332 31.900 31.700 -0.220 0.000 0.855 124 I N 2.774 123.208 120.570 -0.227 0.000 2.742 124 I HA -0.058 4.112 4.170 -0.000 0.000 0.287 124 I C 1.143 177.201 176.117 -0.098 0.000 1.186 124 I CA 0.765 61.916 61.300 -0.249 0.000 1.417 124 I CB -0.357 37.478 38.000 -0.275 0.000 1.377 124 I HN 0.534 nan 8.210 nan 0.000 0.556 125 N N 5.733 124.396 118.700 -0.062 0.000 3.283 125 N HA 0.299 5.039 4.740 -0.000 0.000 0.338 125 N C 0.397 175.918 175.510 0.019 0.000 1.517 125 N CA -0.894 52.155 53.050 -0.001 0.000 0.733 125 N CB 0.499 38.955 38.487 -0.052 0.000 1.797 125 N HN 0.391 nan 8.380 nan 0.000 0.637 126 L N -0.259 120.955 121.223 -0.015 0.000 2.012 126 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 126 L C 0.701 177.528 176.870 -0.070 0.000 1.073 126 L CA 2.068 56.874 54.840 -0.057 0.000 0.748 126 L CB -0.397 41.612 42.059 -0.084 0.000 0.891 126 L HN 0.522 nan 8.230 nan 0.000 0.431 127 D N -1.131 119.229 120.400 -0.065 0.000 2.219 127 D HA -0.132 4.508 4.640 -0.000 0.000 0.205 127 D C 2.000 178.262 176.300 -0.063 0.000 0.970 127 D CA 1.451 55.413 54.000 -0.064 0.000 0.851 127 D CB -0.055 40.709 40.800 -0.060 0.000 0.943 127 D HN 0.381 nan 8.370 nan 0.000 0.488 128 T N 0.874 115.388 114.554 -0.066 0.000 2.643 128 T HA -0.099 4.251 4.350 -0.000 0.000 0.264 128 T C 2.359 177.015 174.700 -0.073 0.000 1.045 128 T CA 0.977 63.033 62.100 -0.072 0.000 1.155 128 T CB -0.443 68.339 68.868 -0.144 0.000 0.863 128 T HN -0.027 nan 8.240 nan 0.000 0.420 129 V N 2.554 122.433 119.914 -0.058 0.000 2.332 129 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 129 V C 2.499 178.536 176.094 -0.095 0.000 1.055 129 V CA 1.622 63.885 62.300 -0.063 0.000 1.038 129 V CB -0.730 31.053 31.823 -0.067 0.000 0.651 129 V HN 0.408 nan 8.190 nan 0.000 0.450 130 N N 0.304 118.946 118.700 -0.097 0.000 2.084 130 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 130 N C 2.017 177.494 175.510 -0.053 0.000 1.030 130 N CA 1.447 54.448 53.050 -0.081 0.000 0.849 130 N CB -0.322 38.115 38.487 -0.083 0.000 1.012 130 N HN 0.476 nan 8.380 nan 0.000 0.423 131 R N -0.029 120.437 120.500 -0.056 0.000 2.115 131 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 131 R C 1.952 178.221 176.300 -0.052 0.000 1.100 131 R CA 0.393 56.467 56.100 -0.043 0.000 0.980 131 R CB -0.265 30.013 30.300 -0.037 0.000 0.875 131 R HN 0.131 nan 8.270 nan 0.000 0.445 132 L N -0.538 120.622 121.223 -0.106 0.000 2.027 132 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 132 L C 1.272 178.044 176.870 -0.164 0.000 1.074 132 L CA 1.844 56.568 54.840 -0.193 0.000 0.745 132 L CB -0.226 41.613 42.059 -0.367 0.000 0.898 132 L HN 0.066 nan 8.230 nan 0.000 0.433 133 Y N -0.110 120.197 120.300 0.012 0.000 2.462 133 Y HA 0.450 5.000 4.550 -0.000 0.000 0.261 133 Y C 1.773 177.659 175.900 -0.024 0.000 1.146 133 Y CA -0.206 57.894 58.100 -0.000 0.000 1.283 133 Y CB -0.230 38.217 38.460 -0.023 0.000 1.090 133 Y HN 0.266 nan 8.280 nan 0.000 0.526 134 G N 0.740 109.595 108.800 0.091 0.000 2.149 134 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 134 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 134 G C -0.015 174.893 174.900 0.013 0.000 1.018 134 G CA 0.141 45.265 45.100 0.039 0.000 0.728 134 G HN 0.244 nan 8.290 nan 0.000 0.508 135 L N -0.720 120.500 121.223 -0.005 0.000 2.454 135 L HA 0.507 4.847 4.340 -0.000 0.000 0.256 135 L C 0.956 177.786 176.870 -0.067 0.000 1.136 135 L CA -0.882 53.922 54.840 -0.060 0.000 0.804 135 L CB 0.596 42.570 42.059 -0.141 0.000 1.181 135 L HN 0.033 nan 8.230 nan 0.000 0.469 136 N N 1.130 119.785 118.700 -0.075 0.000 2.553 136 N HA 0.309 5.049 4.740 -0.000 0.000 0.298 136 N C -0.625 174.843 175.510 -0.071 0.000 1.596 136 N CA -0.112 52.901 53.050 -0.062 0.000 0.910 136 N CB 0.570 39.033 38.487 -0.040 0.000 1.336 136 N HN 0.412 nan 8.380 nan 0.000 0.497 137 L N 0.771 121.929 121.223 -0.109 0.000 2.464 137 L HA 0.196 4.536 4.340 -0.000 0.000 0.264 137 L C 1.459 178.279 176.870 -0.083 0.000 1.199 137 L CA 0.123 54.896 54.840 -0.111 0.000 0.818 137 L CB 0.462 42.405 42.059 -0.193 0.000 1.102 137 L HN 0.136 nan 8.230 nan 0.000 0.473 138 T N -2.331 112.193 114.554 -0.049 0.000 2.944 138 T HA 0.193 4.543 4.350 -0.000 0.000 0.284 138 T C 1.071 175.693 174.700 -0.129 0.000 1.010 138 T CA -0.563 61.506 62.100 -0.051 0.000 1.025 138 T CB 1.666 70.578 68.868 0.074 0.000 1.079 138 T HN 0.520 nan 8.240 nan 0.000 0.516 139 S N 0.503 116.038 115.700 -0.275 0.000 2.380 139 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 139 S C 1.466 175.881 174.600 -0.307 0.000 1.043 139 S CA 1.703 59.687 58.200 -0.362 0.000 1.038 139 S CB -0.793 62.071 63.200 -0.560 0.000 0.872 139 S HN 0.686 nan 8.310 nan 0.000 0.456 140 F N 1.493 121.432 119.950 -0.018 0.000 2.113 140 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 140 F C 2.674 178.466 175.800 -0.014 0.000 1.103 140 F CA 0.909 58.903 58.000 -0.009 0.000 1.248 140 F CB -0.997 37.998 39.000 -0.009 0.000 0.999 140 F HN 0.182 nan 8.300 nan 0.000 0.475 141 Q N -0.206 119.683 119.800 0.148 0.000 2.170 141 Q HA -0.154 4.186 4.340 -0.000 0.000 0.203 141 Q C 2.438 178.441 176.000 0.005 0.000 0.976 141 Q CA 1.409 57.251 55.803 0.065 0.000 0.858 141 Q CB -0.541 28.212 28.738 0.025 0.000 0.907 141 Q HN 0.336 nan 8.270 nan 0.000 0.433 142 V N 0.755 120.623 119.914 -0.077 0.000 2.667 142 V HA -0.234 3.886 4.120 -0.000 0.000 0.252 142 V C 2.010 177.986 176.094 -0.196 0.000 1.065 142 V CA 1.713 63.883 62.300 -0.218 0.000 1.083 142 V CB -0.116 31.524 31.823 -0.305 0.000 0.692 142 V HN 0.364 nan 8.190 nan 0.000 0.468 143 E N -0.102 120.099 120.200 0.002 0.000 2.051 143 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 143 E C 2.097 178.775 176.600 0.129 0.000 0.991 143 E CA 1.788 58.268 56.400 0.133 0.000 0.799 143 E CB -0.072 29.707 29.700 0.131 0.000 0.748 143 E HN 0.770 nan 8.360 nan 0.000 0.449 144 E N -0.193 120.063 120.200 0.093 0.000 2.106 144 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 144 E C 1.833 178.478 176.600 0.075 0.000 0.984 144 E CA 0.925 57.373 56.400 0.081 0.000 0.806 144 E CB -0.244 29.499 29.700 0.071 0.000 0.750 144 E HN 0.295 nan 8.360 nan 0.000 0.458 145 F N 0.877 120.771 119.950 -0.093 0.000 2.134 145 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 145 F C 1.691 177.462 175.800 -0.048 0.000 1.097 145 F CA 1.261 59.184 58.000 -0.127 0.000 1.264 145 F CB -0.118 38.734 39.000 -0.247 0.000 1.001 145 F HN -0.109 nan 8.300 nan 0.000 0.479 146 F N 0.933 120.880 119.950 -0.006 0.000 2.134 146 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 146 F C 2.684 178.395 175.800 -0.150 0.000 1.097 146 F CA 1.003 58.936 58.000 -0.112 0.000 1.264 146 F CB -1.700 37.312 39.000 0.020 0.000 1.001 146 F HN 0.084 nan 8.300 nan 0.000 0.479 147 A N -0.330 122.555 122.820 0.107 0.000 2.024 147 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 147 A C 2.329 179.892 177.584 -0.035 0.000 1.164 147 A CA 2.032 54.089 52.037 0.033 0.000 0.643 147 A CB -1.047 17.977 19.000 0.040 0.000 0.806 147 A HN 0.422 nan 8.150 nan 0.000 0.451 148 S N -0.643 114.998 115.700 -0.098 0.000 2.470 148 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 148 S C 1.496 175.997 174.600 -0.165 0.000 1.006 148 S CA 1.058 59.182 58.200 -0.125 0.000 0.934 148 S CB -0.460 62.662 63.200 -0.131 0.000 0.778 148 S HN 0.858 nan 8.310 nan 0.000 0.517 149 V N -1.368 118.411 119.914 -0.224 0.000 3.431 149 V HA 0.575 4.695 4.120 -0.000 0.000 0.253 149 V C 1.222 177.263 176.094 -0.089 0.000 1.184 149 V CA -0.242 61.951 62.300 -0.178 0.000 1.104 149 V CB -1.258 30.411 31.823 -0.256 0.000 0.799 149 V HN 0.550 nan 8.190 nan 0.000 0.462 150 A N 1.467 124.245 122.820 -0.069 0.000 2.565 150 A HA 0.194 4.514 4.320 -0.000 0.000 0.237 150 A C 0.326 177.875 177.584 -0.059 0.000 1.053 150 A CA 0.201 52.205 52.037 -0.055 0.000 0.755 150 A CB -0.385 18.588 19.000 -0.045 0.000 0.980 150 A HN 0.687 nan 8.150 nan 0.000 0.506 151 E N 1.319 121.479 120.200 -0.068 0.000 2.227 151 E HA 0.315 4.665 4.350 -0.000 0.000 0.282 151 E C -0.477 176.081 176.600 -0.070 0.000 1.015 151 E CA -0.827 55.533 56.400 -0.067 0.000 0.823 151 E CB 1.013 30.666 29.700 -0.078 0.000 1.081 151 E HN 0.389 nan 8.360 nan 0.000 0.396 152 K N 1.756 122.122 120.400 -0.057 0.000 2.118 152 K HA 0.385 4.705 4.320 -0.000 0.000 0.267 152 K C -1.202 175.365 176.600 -0.055 0.000 0.991 152 K CA -0.823 55.432 56.287 -0.055 0.000 0.916 152 K CB 1.386 33.861 32.500 -0.042 0.000 1.041 152 K HN 0.280 nan 8.250 nan 0.000 0.455 153 V N 3.529 123.409 119.914 -0.057 0.000 2.588 153 V HA 0.225 4.345 4.120 -0.000 0.000 0.304 153 V C 0.556 176.622 176.094 -0.047 0.000 1.042 153 V CA -0.826 61.440 62.300 -0.057 0.000 0.877 153 V CB 1.589 33.370 31.823 -0.070 0.000 0.996 153 V HN 0.694 nan 8.190 nan 0.000 0.425 154 E N 1.688 121.864 120.200 -0.039 0.000 2.013 154 E HA -0.174 4.176 4.350 -0.000 0.000 0.202 154 E C 0.750 177.329 176.600 -0.034 0.000 1.018 154 E CA 1.526 57.906 56.400 -0.033 0.000 0.834 154 E CB -0.021 29.662 29.700 -0.028 0.000 0.770 154 E HN 0.734 nan 8.360 nan 0.000 0.459 155 Q N 0.334 120.113 119.800 -0.035 0.000 2.330 155 Q HA 0.391 4.731 4.340 -0.000 0.000 0.269 155 Q C -1.486 174.488 176.000 -0.042 0.000 1.022 155 Q CA -0.532 55.251 55.803 -0.035 0.000 0.796 155 Q CB 2.355 31.076 28.738 -0.028 0.000 1.271 155 Q HN 0.009 nan 8.270 nan 0.000 0.450 156 V N 4.934 124.821 119.914 -0.046 0.000 2.408 156 V HA 0.233 4.353 4.120 -0.000 0.000 0.267 156 V C 0.735 176.800 176.094 -0.049 0.000 1.047 156 V CA 0.424 62.690 62.300 -0.056 0.000 0.937 156 V CB 1.017 32.801 31.823 -0.065 0.000 0.999 156 V HN 0.803 nan 8.190 nan 0.000 0.472 157 R N 1.856 122.326 120.500 -0.050 0.000 2.428 157 R HA 0.148 4.488 4.340 -0.000 0.000 0.193 157 R C 0.892 177.166 176.300 -0.044 0.000 0.852 157 R CA 0.473 56.548 56.100 -0.041 0.000 1.055 157 R CB 0.522 30.802 30.300 -0.033 0.000 1.343 157 R HN 0.758 nan 8.270 nan 0.000 0.655 158 T N -2.256 112.266 114.554 -0.052 0.000 2.897 158 T HA 0.240 4.590 4.350 -0.000 0.000 0.278 158 T C 1.007 175.673 174.700 -0.058 0.000 0.981 158 T CA -0.598 61.471 62.100 -0.050 0.000 0.973 158 T CB 1.841 70.683 68.868 -0.043 0.000 1.092 158 T HN -0.177 nan 8.240 nan 0.000 0.543 159 S N -0.559 115.116 115.700 -0.040 0.000 2.474 159 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 159 S C 1.779 176.373 174.600 -0.009 0.000 0.997 159 S CA 0.858 59.045 58.200 -0.021 0.000 0.949 159 S CB -0.462 62.744 63.200 0.011 0.000 0.766 159 S HN 0.834 nan 8.310 nan 0.000 0.517 160 E N 1.045 121.227 120.200 -0.030 0.000 2.028 160 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 160 E C 1.196 177.637 176.600 -0.265 0.000 0.984 160 E CA 1.193 57.491 56.400 -0.170 0.000 0.800 160 E CB -0.009 29.584 29.700 -0.178 0.000 0.758 160 E HN 0.337 nan 8.360 nan 0.000 0.448 161 D N 0.502 120.796 120.400 -0.176 0.000 2.116 161 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 161 D C 2.149 178.348 176.300 -0.169 0.000 0.998 161 D CA 1.948 55.850 54.000 -0.163 0.000 0.836 161 D CB -0.507 40.226 40.800 -0.111 0.000 0.951 161 D HN 0.278 nan 8.370 nan 0.000 0.449 162 V N -0.492 119.329 119.914 -0.154 0.000 2.392 162 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 162 V C 2.449 178.410 176.094 -0.222 0.000 1.059 162 V CA 1.238 63.440 62.300 -0.163 0.000 1.051 162 V CB -1.049 30.688 31.823 -0.143 0.000 0.658 162 V HN 0.026 nan 8.190 nan 0.000 0.455 163 V N -0.618 119.136 119.914 -0.267 0.000 2.341 163 V HA -0.063 4.057 4.120 -0.000 0.000 0.240 163 V C 2.574 178.528 176.094 -0.234 0.000 1.035 163 V CA 1.559 63.668 62.300 -0.318 0.000 1.033 163 V CB -0.168 31.444 31.823 -0.352 0.000 0.678 163 V HN 0.351 nan 8.190 nan 0.000 0.464 164 V N 1.526 121.270 119.914 -0.284 0.000 2.453 164 V HA -0.239 3.881 4.120 -0.000 0.000 0.252 164 V C 2.652 178.644 176.094 -0.169 0.000 1.068 164 V CA 2.481 64.630 62.300 -0.251 0.000 1.070 164 V CB -0.474 31.121 31.823 -0.380 0.000 0.664 164 V HN 0.775 nan 8.190 nan 0.000 0.461 165 S N -1.504 114.095 115.700 -0.169 0.000 2.607 165 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 165 S C 1.555 176.081 174.600 -0.124 0.000 0.969 165 S CA 0.591 58.714 58.200 -0.128 0.000 0.927 165 S CB -0.063 63.067 63.200 -0.116 0.000 0.772 165 S HN 0.683 nan 8.310 nan 0.000 0.533 166 K N 0.489 120.792 120.400 -0.161 0.000 2.403 166 K HA 0.228 4.548 4.320 -0.000 0.000 0.199 166 K C 1.180 177.623 176.600 -0.262 0.000 1.199 166 K CA 1.007 57.174 56.287 -0.199 0.000 0.924 166 K CB 0.827 33.179 32.500 -0.246 0.000 1.137 166 K HN 0.387 nan 8.250 nan 0.000 0.510 167 V N -1.947 117.831 119.914 -0.227 0.000 3.252 167 V HA 0.449 4.569 4.120 -0.000 0.000 0.320 167 V C 0.338 176.459 176.094 0.045 0.000 1.459 167 V CA 0.068 62.269 62.300 -0.165 0.000 1.095 167 V CB -0.137 31.532 31.823 -0.258 0.000 0.997 167 V HN 0.386 nan 8.190 nan 0.000 0.469 168 G N 1.618 110.415 108.800 -0.004 0.000 2.828 168 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.463 168 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.463 168 G C 0.279 175.231 174.900 0.086 0.000 1.394 168 G CA 0.446 45.558 45.100 0.020 0.000 0.862 168 G HN 0.686 nan 8.290 nan 0.000 0.540 169 R N -0.470 120.084 120.500 0.092 0.000 2.161 169 R HA 0.064 4.404 4.340 -0.000 0.000 0.213 169 R C 2.104 178.569 176.300 0.275 0.000 1.055 169 R CA 1.688 57.888 56.100 0.165 0.000 0.996 169 R CB -0.288 30.070 30.300 0.096 0.000 0.901 169 R HN 0.604 nan 8.270 nan 0.000 0.456 170 D N 0.221 120.761 120.400 0.234 0.000 2.091 170 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 170 D C 1.840 178.339 176.300 0.330 0.000 0.980 170 D CA 1.221 55.380 54.000 0.265 0.000 0.831 170 D CB 0.019 40.982 40.800 0.272 0.000 0.987 170 D HN 0.224 nan 8.370 nan 0.000 0.460 171 L N -0.307 121.152 121.223 0.393 0.000 2.131 171 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 171 L C 2.321 179.488 176.870 0.494 0.000 1.092 171 L CA 1.062 56.185 54.840 0.471 0.000 0.759 171 L CB -0.665 41.646 42.059 0.420 0.000 0.903 171 L HN 0.216 nan 8.230 nan 0.000 0.435 172 Y N 1.374 121.839 120.300 0.274 0.000 2.165 172 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 172 Y C 2.450 178.518 175.900 0.281 0.000 1.155 172 Y CA 1.732 59.988 58.100 0.260 0.000 1.164 172 Y CB -0.273 38.254 38.460 0.111 0.000 0.978 172 Y HN 0.199 nan 8.280 nan 0.000 0.513 173 N N 0.513 119.284 118.700 0.118 0.000 2.188 173 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 173 N C 1.588 177.077 175.510 -0.036 0.000 1.018 173 N CA 1.617 54.653 53.050 -0.023 0.000 0.858 173 N CB -0.233 38.314 38.487 0.100 0.000 0.989 173 N HN 0.486 nan 8.380 nan 0.000 0.426 174 K N -0.911 119.509 120.400 0.033 0.000 2.243 174 K HA 0.074 4.394 4.320 -0.000 0.000 0.201 174 K C 0.926 177.300 176.600 -0.376 0.000 1.051 174 K CA 0.709 56.894 56.287 -0.170 0.000 0.970 174 K CB 0.131 32.500 32.500 -0.218 0.000 0.755 174 K HN 0.154 nan 8.250 nan 0.000 0.465 175 F N -2.023 117.911 119.950 -0.027 0.000 2.711 175 F HA 0.196 4.723 4.527 -0.000 0.000 0.296 175 F C 1.351 176.940 175.800 -0.352 0.000 1.096 175 F CA -0.032 57.862 58.000 -0.177 0.000 1.280 175 F CB 0.440 39.329 39.000 -0.185 0.000 1.060 175 F HN -0.146 nan 8.300 nan 0.000 0.608 176 F N -0.858 119.112 119.950 0.034 0.000 2.577 176 F HA 0.257 4.784 4.527 0.000 0.000 0.276 176 F C 2.349 178.079 175.800 -0.116 0.000 1.032 176 F CA 0.115 58.101 58.000 -0.023 0.000 1.297 176 F CB -0.305 38.698 39.000 0.006 0.000 1.061 176 F HN -0.385 nan 8.300 nan 0.000 0.680 177 R N 0.746 121.098 120.500 -0.246 0.000 2.070 177 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 177 R C 2.356 178.651 176.300 -0.009 0.000 1.138 177 R CA 1.813 57.767 56.100 -0.242 0.000 0.936 177 R CB -1.006 29.047 30.300 -0.411 0.000 0.839 177 R HN 0.374 nan 8.270 nan 0.000 0.429 178 G N -0.488 108.304 108.800 -0.014 0.000 2.418 178 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 178 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 178 G C 1.337 176.273 174.900 0.061 0.000 1.158 178 G CA 0.824 45.933 45.100 0.014 0.000 0.771 178 G HN 0.483 nan 8.290 nan 0.000 0.545 179 Y N 1.667 121.956 120.300 -0.020 0.000 2.145 179 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 179 Y C 3.192 179.136 175.900 0.073 0.000 1.145 179 Y CA 2.352 60.455 58.100 0.005 0.000 1.148 179 Y CB -0.281 38.161 38.460 -0.029 0.000 0.981 179 Y HN 0.204 nan 8.280 nan 0.000 0.507 180 T N 0.581 115.370 114.554 0.392 0.000 2.746 180 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 180 T C 1.829 176.722 174.700 0.323 0.000 1.039 180 T CA 1.744 64.120 62.100 0.461 0.000 1.142 180 T CB -0.246 68.885 68.868 0.438 0.000 0.866 180 T HN 0.335 nan 8.240 nan 0.000 0.444 181 R N 0.699 121.310 120.500 0.184 0.000 2.120 181 R HA -0.025 4.315 4.340 -0.000 0.000 0.234 181 R C 2.505 178.838 176.300 0.054 0.000 1.123 181 R CA 1.158 57.333 56.100 0.125 0.000 0.975 181 R CB -0.125 30.222 30.300 0.078 0.000 0.866 181 R HN 0.310 nan 8.270 nan 0.000 0.446 182 K N 0.391 120.773 120.400 -0.030 0.000 2.116 182 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 182 K C 2.172 178.655 176.600 -0.195 0.000 1.052 182 K CA 1.124 57.337 56.287 -0.122 0.000 0.952 182 K CB 0.188 32.568 32.500 -0.200 0.000 0.729 182 K HN -0.075 nan 8.250 nan 0.000 0.446 183 Q N -0.807 118.822 119.800 -0.284 0.000 2.123 183 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 183 Q C 0.816 176.481 176.000 -0.559 0.000 0.966 183 Q CA 1.733 57.226 55.803 -0.517 0.000 0.845 183 Q CB -0.005 28.334 28.738 -0.665 0.000 0.907 183 Q HN 0.399 nan 8.270 nan 0.000 0.439 184 W N -1.361 119.898 121.300 -0.069 0.000 3.058 184 W HA 0.434 5.094 4.660 0.000 0.000 0.306 184 W C 1.060 177.573 176.519 -0.010 0.000 1.188 184 W CA 0.069 57.390 57.345 -0.041 0.000 1.651 184 W CB 0.441 29.902 29.460 0.001 0.000 1.051 184 W HN 0.233 nan 8.180 nan 0.000 0.592 185 G N 1.355 110.254 108.800 0.165 0.000 2.203 185 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 185 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 185 G C -0.642 174.344 174.900 0.143 0.000 1.012 185 G CA 0.185 45.355 45.100 0.118 0.000 0.749 185 G HN 0.094 nan 8.290 nan 0.000 0.512 186 L N -0.248 121.091 121.223 0.194 0.000 2.455 186 L HA 0.550 4.890 4.340 -0.000 0.000 0.264 186 L C -0.028 176.930 176.870 0.146 0.000 0.968 186 L CA -1.411 53.519 54.840 0.151 0.000 0.827 186 L CB 1.825 43.967 42.059 0.138 0.000 1.317 186 L HN 0.245 nan 8.230 nan 0.000 0.407 187 D N 3.792 124.259 120.400 0.111 0.000 2.400 187 D HA 0.170 4.810 4.640 -0.000 0.000 0.238 187 D C -1.621 174.752 176.300 0.121 0.000 1.157 187 D CA -0.758 53.316 54.000 0.124 0.000 0.889 187 D CB 1.359 42.224 40.800 0.108 0.000 1.199 187 D HN 0.321 nan 8.370 nan 0.000 0.436 188 P HA -0.140 nan 4.420 nan 0.000 0.219 188 P C 1.093 178.443 177.300 0.082 0.000 1.146 188 P CA 1.136 64.330 63.100 0.157 0.000 0.808 188 P CB -0.031 31.862 31.700 0.322 0.000 0.779 189 S N -0.434 115.317 115.700 0.084 0.000 2.419 189 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 189 S C 1.650 176.257 174.600 0.012 0.000 1.016 189 S CA 1.101 59.318 58.200 0.029 0.000 0.974 189 S CB -1.022 62.197 63.200 0.031 0.000 0.786 189 S HN 0.239 nan 8.310 nan 0.000 0.492 190 E N 0.252 120.463 120.200 0.019 0.000 2.489 190 E HA 0.332 4.682 4.350 -0.000 0.000 0.193 190 E C -0.290 176.290 176.600 -0.032 0.000 1.057 190 E CA -0.063 56.340 56.400 0.004 0.000 0.866 190 E CB 0.145 29.860 29.700 0.024 0.000 0.916 190 E HN 0.530 nan 8.360 nan 0.000 0.500 191 L N 0.467 121.655 121.223 -0.059 0.000 2.333 191 L HA 0.312 4.652 4.340 -0.000 0.000 0.269 191 L C -0.177 176.636 176.870 -0.095 0.000 1.010 191 L CA -1.161 53.602 54.840 -0.130 0.000 0.818 191 L CB 1.756 43.663 42.059 -0.253 0.000 1.306 191 L HN -0.126 nan 8.230 nan 0.000 0.430 192 D N 0.789 121.129 120.400 -0.100 0.000 2.423 192 D HA 0.145 4.785 4.640 -0.000 0.000 0.238 192 D C 0.941 177.204 176.300 -0.060 0.000 1.142 192 D CA 0.528 54.491 54.000 -0.063 0.000 0.884 192 D CB 1.613 42.387 40.800 -0.044 0.000 1.199 192 D HN 0.599 nan 8.370 nan 0.000 0.438 193 A N 2.355 125.147 122.820 -0.047 0.000 2.076 193 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 193 A C 2.120 179.681 177.584 -0.038 0.000 1.160 193 A CA 1.905 53.913 52.037 -0.049 0.000 0.653 193 A CB -0.933 18.035 19.000 -0.053 0.000 0.801 193 A HN 0.631 nan 8.150 nan 0.000 0.455 194 S N -0.567 115.117 115.700 -0.026 0.000 2.442 194 S HA -0.108 4.362 4.470 -0.000 0.000 0.236 194 S C 1.676 176.276 174.600 0.000 0.000 1.007 194 S CA 1.356 59.550 58.200 -0.011 0.000 0.965 194 S CB -0.739 62.465 63.200 0.006 0.000 0.773 194 S HN 0.254 nan 8.310 nan 0.000 0.504 195 V N 2.836 122.757 119.914 0.011 0.000 2.239 195 V HA -0.122 3.998 4.120 -0.000 0.000 0.242 195 V C 3.167 179.338 176.094 0.128 0.000 1.038 195 V CA 2.168 64.519 62.300 0.085 0.000 1.002 195 V CB -1.492 30.308 31.823 -0.039 0.000 0.641 195 V HN 0.840 nan 8.190 nan 0.000 0.449 196 T N -1.162 113.453 114.554 0.103 0.000 3.072 196 T HA 0.046 4.396 4.350 -0.000 0.000 0.266 196 T C 1.660 176.377 174.700 0.028 0.000 1.127 196 T CA 1.017 63.202 62.100 0.142 0.000 1.107 196 T CB -0.267 68.641 68.868 0.067 0.000 0.910 196 T HN 0.419 nan 8.240 nan 0.000 0.513 197 A N 1.503 124.311 122.820 -0.019 0.000 2.216 197 A HA 0.116 4.436 4.320 -0.000 0.000 0.214 197 A C 2.470 180.034 177.584 -0.034 0.000 1.160 197 A CA 0.532 52.538 52.037 -0.052 0.000 0.725 197 A CB -0.618 18.349 19.000 -0.054 0.000 0.784 197 A HN 0.517 nan 8.150 nan 0.000 0.472 198 R N -0.980 119.518 120.500 -0.003 0.000 2.115 198 R HA -0.025 4.315 4.340 -0.000 0.000 0.230 198 R C 0.707 176.977 176.300 -0.050 0.000 1.111 198 R CA 1.310 57.398 56.100 -0.020 0.000 0.976 198 R CB -0.156 30.134 30.300 -0.018 0.000 0.870 198 R HN 0.377 nan 8.270 nan 0.000 0.445 199 V N 2.971 122.875 119.914 -0.015 0.000 2.275 199 V HA 0.360 4.480 4.120 -0.000 0.000 0.272 199 V C -2.478 173.593 176.094 -0.039 0.000 1.028 199 V CA -2.438 59.801 62.300 -0.101 0.000 0.810 199 V CB 1.203 32.950 31.823 -0.126 0.000 1.043 199 V HN -0.025 nan 8.190 nan 0.000 0.453 200 P HA 0.299 nan 4.420 nan 0.000 0.275 200 P C -0.133 177.090 177.300 -0.127 0.000 1.228 200 P CA 0.146 63.175 63.100 -0.118 0.000 0.786 200 P CB 1.105 32.736 31.700 -0.114 0.000 0.927 201 T N 3.029 117.488 114.554 -0.158 0.000 2.909 201 T HA 0.397 4.747 4.350 -0.000 0.000 0.289 201 T C 0.449 175.060 174.700 -0.150 0.000 1.005 201 T CA -0.450 61.540 62.100 -0.185 0.000 1.084 201 T CB 0.671 69.344 68.868 -0.326 0.000 0.975 201 T HN 0.350 nan 8.240 nan 0.000 0.509 202 R N 0.311 120.757 120.500 -0.091 0.000 2.854 202 R HA 0.520 4.860 4.340 -0.000 0.000 0.271 202 R C 1.034 177.394 176.300 0.101 0.000 0.996 202 R CA -0.764 55.320 56.100 -0.026 0.000 0.961 202 R CB 1.100 31.369 30.300 -0.051 0.000 1.182 202 R HN 0.768 nan 8.270 nan 0.000 0.479 203 T N -3.128 111.483 114.554 0.095 0.000 3.040 203 T HA 0.011 4.361 4.350 -0.000 0.000 0.250 203 T C 0.705 175.397 174.700 -0.013 0.000 1.058 203 T CA -0.152 62.021 62.100 0.122 0.000 0.988 203 T CB -0.288 68.644 68.868 0.107 0.000 0.993 203 T HN 0.583 nan 8.240 nan 0.000 0.519 204 N N 2.121 120.796 118.700 -0.041 0.000 2.547 204 N HA 0.256 4.996 4.740 -0.000 0.000 0.301 204 N C 0.346 175.812 175.510 -0.074 0.000 1.328 204 N CA -0.945 52.054 53.050 -0.084 0.000 0.932 204 N CB 0.331 38.766 38.487 -0.087 0.000 1.104 204 N HN 0.159 nan 8.380 nan 0.000 0.548 205 R N -1.721 118.730 120.500 -0.081 0.000 2.613 205 R HA 0.224 4.564 4.340 -0.000 0.000 0.361 205 R C -0.765 175.490 176.300 -0.074 0.000 1.072 205 R CA -0.520 55.535 56.100 -0.075 0.000 1.089 205 R CB -0.135 30.120 30.300 -0.075 0.000 1.343 205 R HN 0.535 nan 8.270 nan 0.000 0.571 206 D N 2.249 122.603 120.400 -0.077 0.000 2.383 206 D HA -0.042 4.598 4.640 -0.000 0.000 0.252 206 D C 0.409 176.654 176.300 -0.092 0.000 1.166 206 D CA 0.242 54.193 54.000 -0.082 0.000 0.879 206 D CB 0.787 41.537 40.800 -0.084 0.000 1.164 206 D HN 0.234 nan 8.370 nan 0.000 0.462 207 N N 2.676 121.320 118.700 -0.093 0.000 2.200 207 N HA 0.019 4.759 4.740 -0.000 0.000 0.224 207 N C -0.349 175.092 175.510 -0.115 0.000 1.179 207 N CA -0.395 52.594 53.050 -0.102 0.000 0.877 207 N CB 0.165 38.597 38.487 -0.092 0.000 1.072 207 N HN 0.153 nan 8.380 nan 0.000 0.519 208 R N -0.278 120.152 120.500 -0.117 0.000 2.539 208 R HA 0.159 4.499 4.340 -0.000 0.000 0.275 208 R C 0.418 176.621 176.300 -0.163 0.000 1.077 208 R CA -0.551 55.472 56.100 -0.128 0.000 1.097 208 R CB 0.436 30.676 30.300 -0.099 0.000 1.018 208 R HN -0.010 nan 8.270 nan 0.000 0.483 209 Y N 0.906 120.961 120.300 -0.410 0.000 2.373 209 Y HA 0.083 4.633 4.550 -0.000 0.000 0.293 209 Y C -0.230 175.170 175.900 -0.832 0.000 1.129 209 Y CA 0.968 58.672 58.100 -0.661 0.000 1.226 209 Y CB 0.383 38.330 38.460 -0.854 0.000 1.000 209 Y HN 0.389 nan 8.280 nan 0.000 0.549 210 F N -1.788 118.100 119.950 -0.102 0.000 2.532 210 F HA 0.561 5.088 4.527 -0.000 0.000 0.321 210 F C 0.599 176.305 175.800 -0.158 0.000 1.089 210 F CA -0.754 57.119 58.000 -0.212 0.000 0.926 210 F CB 1.559 40.361 39.000 -0.329 0.000 1.168 210 F HN -0.228 nan 8.300 nan 0.000 0.459 211 A N 0.792 123.629 122.820 0.029 0.000 2.460 211 A HA 0.253 4.573 4.320 -0.000 0.000 0.258 211 A C -0.274 177.285 177.584 -0.041 0.000 1.300 211 A CA -0.354 51.665 52.037 -0.029 0.000 0.913 211 A CB -0.793 18.172 19.000 -0.059 0.000 1.031 211 A HN 0.703 nan 8.150 nan 0.000 0.512 212 D N -0.003 120.392 120.400 -0.008 0.000 2.449 212 D HA 0.174 4.814 4.640 -0.000 0.000 0.236 212 D C 1.337 177.534 176.300 -0.171 0.000 1.149 212 D CA 0.685 54.645 54.000 -0.066 0.000 0.878 212 D CB 0.749 41.529 40.800 -0.033 0.000 1.198 212 D HN 0.137 nan 8.370 nan 0.000 0.446 213 T N 0.704 115.092 114.554 -0.278 0.000 2.708 213 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 213 T C 0.352 174.599 174.700 -0.755 0.000 1.037 213 T CA 1.270 63.039 62.100 -0.552 0.000 1.146 213 T CB -0.261 68.153 68.868 -0.756 0.000 0.865 213 T HN 0.361 nan 8.240 nan 0.000 0.435 214 Y N 1.685 121.779 120.300 -0.343 0.000 2.417 214 Y HA 0.486 5.036 4.550 -0.000 0.000 0.336 214 Y C 0.157 175.823 175.900 -0.391 0.000 0.961 214 Y CA -0.972 56.783 58.100 -0.575 0.000 1.215 214 Y CB 0.684 38.545 38.460 -0.998 0.000 1.120 214 Y HN 0.046 nan 8.280 nan 0.000 0.499 215 Q N 3.113 122.825 119.800 -0.147 0.000 2.320 215 Q HA 0.836 5.176 4.340 -0.000 0.000 0.268 215 Q C -1.169 174.916 176.000 0.141 0.000 1.023 215 Q CA -0.845 54.969 55.803 0.018 0.000 0.744 215 Q CB 2.280 31.041 28.738 0.038 0.000 1.246 215 Q HN 0.761 nan 8.270 nan 0.000 0.462 216 A N 2.817 125.826 122.820 0.314 0.000 2.604 216 A HA 0.757 5.077 4.320 -0.000 0.000 0.295 216 A C -1.350 176.645 177.584 0.686 0.000 1.067 216 A CA -0.766 51.549 52.037 0.463 0.000 0.683 216 A CB 1.540 20.782 19.000 0.404 0.000 1.281 216 A HN 0.522 nan 8.150 nan 0.000 0.407 217 M N 1.242 121.197 119.600 0.591 0.000 2.423 217 M HA 0.396 4.876 4.480 -0.000 0.000 0.335 217 M C -2.555 173.903 176.300 0.263 0.000 1.177 217 M CA -2.587 52.962 55.300 0.416 0.000 1.038 217 M CB 0.640 33.372 32.600 0.219 0.000 1.641 217 M HN 0.265 nan 8.290 nan 0.000 0.455 218 P HA -0.001 nan 4.420 nan 0.000 0.262 218 P C 0.919 177.994 177.300 -0.375 0.000 1.199 218 P CA -0.152 62.632 63.100 -0.527 0.000 0.763 218 P CB 0.229 31.500 31.700 -0.714 0.000 0.790 219 L N 4.780 125.755 121.223 -0.415 0.000 2.021 219 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 219 L C 1.468 178.053 176.870 -0.475 0.000 1.074 219 L CA 2.226 56.798 54.840 -0.448 0.000 0.760 219 L CB -1.006 40.666 42.059 -0.645 0.000 0.889 219 L HN 0.500 nan 8.230 nan 0.000 0.433 220 H N -0.882 118.090 119.070 -0.163 0.000 2.505 220 H HA 0.539 5.095 4.556 -0.000 0.000 0.286 220 H C 0.915 176.165 175.328 -0.130 0.000 1.072 220 H CA 0.475 56.459 56.048 -0.107 0.000 1.141 220 H CB -0.274 29.439 29.762 -0.081 0.000 1.550 220 H HN 0.381 nan 8.280 nan 0.000 0.547 221 G N -0.075 108.637 108.800 -0.146 0.000 2.619 221 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 221 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 221 G C -0.029 174.737 174.900 -0.224 0.000 1.256 221 G CA -0.539 44.453 45.100 -0.181 0.000 0.826 221 G HN 0.197 nan 8.290 nan 0.000 0.619 222 Y N 0.378 120.634 120.300 -0.072 0.000 2.163 222 Y HA -0.084 4.466 4.550 -0.000 0.000 0.288 222 Y C 3.416 179.355 175.900 0.065 0.000 1.136 222 Y CA 2.463 60.539 58.100 -0.039 0.000 1.147 222 Y CB -0.507 37.979 38.460 0.044 0.000 0.987 222 Y HN 0.650 nan 8.280 nan 0.000 0.509 223 T N 0.257 114.924 114.554 0.188 0.000 2.737 223 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 223 T C 1.975 176.742 174.700 0.111 0.000 1.040 223 T CA 1.329 63.525 62.100 0.160 0.000 1.142 223 T CB -0.173 68.696 68.868 0.001 0.000 0.861 223 T HN 0.198 nan 8.240 nan 0.000 0.456 224 R N 0.622 121.141 120.500 0.031 0.000 2.081 224 R HA 0.046 4.386 4.340 -0.000 0.000 0.235 224 R C 2.446 178.718 176.300 -0.047 0.000 1.131 224 R CA 1.164 57.261 56.100 -0.005 0.000 0.960 224 R CB -0.842 29.455 30.300 -0.005 0.000 0.856 224 R HN 0.481 nan 8.270 nan 0.000 0.436 225 M N -0.379 119.152 119.600 -0.116 0.000 2.086 225 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 225 M C 1.813 177.951 176.300 -0.269 0.000 1.067 225 M CA 1.763 56.922 55.300 -0.235 0.000 1.116 225 M CB -0.226 32.140 32.600 -0.390 0.000 1.348 225 M HN -0.029 nan 8.290 nan 0.000 0.407 226 F N 0.913 120.753 119.950 -0.182 0.000 2.126 226 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 226 F C 2.562 178.250 175.800 -0.188 0.000 1.096 226 F CA 1.817 59.680 58.000 -0.228 0.000 1.255 226 F CB -0.537 38.342 39.000 -0.202 0.000 0.997 226 F HN 0.285 nan 8.300 nan 0.000 0.479 227 Q N -0.077 119.759 119.800 0.059 0.000 2.135 227 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 227 Q C 1.861 177.837 176.000 -0.039 0.000 0.981 227 Q CA 1.473 57.281 55.803 0.009 0.000 0.856 227 Q CB -0.239 28.507 28.738 0.013 0.000 0.902 227 Q HN 0.376 nan 8.270 nan 0.000 0.425 228 N N -0.117 118.543 118.700 -0.067 0.000 2.270 228 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 228 N C 1.543 176.965 175.510 -0.147 0.000 1.016 228 N CA 1.015 54.038 53.050 -0.045 0.000 0.870 228 N CB -0.039 38.469 38.487 0.036 0.000 0.979 228 N HN 0.305 nan 8.380 nan 0.000 0.431 229 M N -0.007 119.344 119.600 -0.414 0.000 2.296 229 M HA -0.010 4.470 4.480 -0.000 0.000 0.265 229 M C 1.067 177.191 176.300 -0.293 0.000 1.064 229 M CA 1.042 55.936 55.300 -0.676 0.000 1.109 229 M CB 0.010 32.163 32.600 -0.746 0.000 1.396 229 M HN 0.035 nan 8.290 nan 0.000 0.430 230 L N -0.669 120.460 121.223 -0.158 0.000 2.667 230 L HA 0.103 4.443 4.340 -0.000 0.000 0.232 230 L C 2.148 178.988 176.870 -0.051 0.000 1.138 230 L CA -0.117 54.669 54.840 -0.089 0.000 0.921 230 L CB -0.275 41.746 42.059 -0.062 0.000 1.180 230 L HN 0.274 nan 8.230 nan 0.000 0.487 231 S N -1.471 114.203 115.700 -0.043 0.000 2.428 231 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 231 S C 1.268 175.867 174.600 -0.001 0.000 1.014 231 S CA 0.220 58.411 58.200 -0.015 0.000 0.957 231 S CB -0.244 62.953 63.200 -0.005 0.000 0.784 231 S HN 0.355 nan 8.310 nan 0.000 0.499 232 S N 3.293 118.993 115.700 0.000 0.000 2.571 232 S HA 0.053 4.523 4.470 -0.000 0.000 0.298 232 S C -1.678 172.936 174.600 0.022 0.000 1.280 232 S CA -0.741 57.467 58.200 0.014 0.000 1.052 232 S CB 0.474 63.682 63.200 0.013 0.000 0.799 232 S HN 0.201 nan 8.310 nan 0.000 0.501 233 P HA 0.082 nan 4.420 nan 0.000 0.233 233 P C 0.330 177.666 177.300 0.059 0.000 1.167 233 P CA 0.475 63.599 63.100 0.039 0.000 0.770 233 P CB 0.046 31.766 31.700 0.034 0.000 0.837 234 N N -0.466 118.272 118.700 0.063 0.000 2.383 234 N HA 0.107 4.847 4.740 -0.000 0.000 0.192 234 N C 0.156 175.731 175.510 0.109 0.000 1.141 234 N CA 0.307 53.413 53.050 0.094 0.000 0.851 234 N CB 0.173 38.712 38.487 0.087 0.000 0.976 234 N HN 0.257 nan 8.380 nan 0.000 0.465 235 I N 1.474 122.087 120.570 0.072 0.000 2.382 235 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 235 I C -0.454 175.690 176.117 0.044 0.000 1.007 235 I CA -0.795 60.531 61.300 0.043 0.000 1.142 235 I CB 1.090 39.087 38.000 -0.006 0.000 1.289 235 I HN -0.403 nan 8.210 nan 0.000 0.453 236 K N 6.088 126.521 120.400 0.055 0.000 2.183 236 K HA 0.536 4.856 4.320 -0.000 0.000 0.274 236 K C -0.619 175.952 176.600 -0.049 0.000 1.009 236 K CA -0.679 55.632 56.287 0.041 0.000 0.888 236 K CB 2.295 34.880 32.500 0.142 0.000 1.078 236 K HN 0.234 nan 8.250 nan 0.000 0.459 237 V N 3.938 123.829 119.914 -0.038 0.000 2.398 237 V HA 0.437 4.557 4.120 -0.000 0.000 0.286 237 V C -0.061 175.996 176.094 -0.063 0.000 1.026 237 V CA -0.759 61.500 62.300 -0.068 0.000 0.868 237 V CB 1.404 33.192 31.823 -0.060 0.000 0.982 237 V HN 0.714 nan 8.190 nan 0.000 0.443 238 M N 6.105 125.652 119.600 -0.089 0.000 2.190 238 M HA 0.616 5.096 4.480 -0.000 0.000 0.312 238 M C -1.530 174.716 176.300 -0.090 0.000 0.990 238 M CA -0.293 54.964 55.300 -0.072 0.000 0.927 238 M CB 1.255 33.813 32.600 -0.070 0.000 1.571 238 M HN 0.542 nan 8.290 nan 0.000 0.427 239 L N 3.200 124.375 121.223 -0.080 0.000 2.313 239 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 239 L C 0.627 177.447 176.870 -0.084 0.000 1.010 239 L CA -0.846 53.931 54.840 -0.104 0.000 0.814 239 L CB 1.516 43.508 42.059 -0.111 0.000 1.304 239 L HN 0.927 nan 8.230 nan 0.000 0.441 240 N N -0.353 118.285 118.700 -0.103 0.000 2.747 240 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 240 N C -1.007 174.468 175.510 -0.059 0.000 1.107 240 N CA 1.086 54.090 53.050 -0.077 0.000 0.707 240 N CB -0.561 37.894 38.487 -0.053 0.000 1.054 240 N HN 0.745 nan 8.380 nan 0.000 0.555 241 T N 0.221 114.735 114.554 -0.067 0.000 2.906 241 T HA 0.130 4.480 4.350 -0.000 0.000 0.302 241 T C -1.068 173.601 174.700 -0.051 0.000 1.002 241 T CA -0.741 61.327 62.100 -0.053 0.000 0.988 241 T CB 1.515 70.353 68.868 -0.050 0.000 0.972 241 T HN 0.137 nan 8.240 nan 0.000 0.447 242 D N 1.980 122.348 120.400 -0.053 0.000 2.390 242 D HA 0.010 4.650 4.640 -0.000 0.000 0.249 242 D C 1.207 177.462 176.300 -0.075 0.000 1.144 242 D CA -0.275 53.695 54.000 -0.050 0.000 0.880 242 D CB 0.779 41.524 40.800 -0.093 0.000 1.182 242 D HN 0.709 nan 8.370 nan 0.000 0.451 243 Y N 3.969 124.217 120.300 -0.087 0.000 2.256 243 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 243 Y C 1.973 177.797 175.900 -0.128 0.000 1.155 243 Y CA 1.052 59.085 58.100 -0.113 0.000 1.203 243 Y CB -0.287 38.123 38.460 -0.084 0.000 0.980 243 Y HN 0.318 nan 8.280 nan 0.000 0.530 244 R N 0.724 120.665 120.500 -0.932 0.000 2.241 244 R HA -0.096 4.244 4.340 -0.000 0.000 0.224 244 R C 1.872 177.951 176.300 -0.369 0.000 1.101 244 R CA 1.398 57.054 56.100 -0.740 0.000 0.995 244 R CB -0.225 29.631 30.300 -0.740 0.000 0.870 244 R HN 0.608 nan 8.270 nan 0.000 0.463 245 E N 0.220 120.255 120.200 -0.276 0.000 2.216 245 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 245 E C 1.178 177.615 176.600 -0.273 0.000 0.988 245 E CA 0.981 57.270 56.400 -0.185 0.000 0.834 245 E CB 0.220 29.858 29.700 -0.104 0.000 0.772 245 E HN 0.410 nan 8.360 nan 0.000 0.479 246 I N -4.283 116.077 120.570 -0.350 0.000 4.240 246 I HA 0.369 4.539 4.170 -0.000 0.000 0.331 246 I C 1.712 177.506 176.117 -0.540 0.000 1.381 246 I CA -0.117 60.801 61.300 -0.636 0.000 1.136 246 I CB 0.595 38.401 38.000 -0.322 0.000 1.137 246 I HN -0.177 nan 8.210 nan 0.000 0.411 247 A N 0.925 123.583 122.820 -0.269 0.000 2.070 247 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 247 A C 1.786 179.344 177.584 -0.043 0.000 1.159 247 A CA 1.947 53.978 52.037 -0.011 0.000 0.656 247 A CB -0.626 18.411 19.000 0.062 0.000 0.800 247 A HN 0.439 nan 8.150 nan 0.000 0.453 248 D N -1.045 119.226 120.400 -0.215 0.000 2.234 248 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 248 D C 1.014 177.315 176.300 0.001 0.000 0.962 248 D CA 1.166 55.108 54.000 -0.096 0.000 0.855 248 D CB -0.085 40.688 40.800 -0.045 0.000 0.951 248 D HN 0.729 nan 8.370 nan 0.000 0.500 249 F N -1.420 118.566 119.950 0.061 0.000 2.772 249 F HA 0.390 4.917 4.527 -0.000 0.000 0.316 249 F C -0.048 175.809 175.800 0.094 0.000 1.114 249 F CA -0.647 57.387 58.000 0.057 0.000 1.191 249 F CB 0.521 39.544 39.000 0.038 0.000 1.065 249 F HN -0.336 nan 8.300 nan 0.000 0.534 250 I N 3.548 124.205 120.570 0.144 0.000 2.362 250 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 250 I C -2.588 173.703 176.117 0.290 0.000 0.994 250 I CA -2.257 59.207 61.300 0.273 0.000 1.158 250 I CB 1.356 39.514 38.000 0.263 0.000 1.315 250 I HN -0.120 nan 8.210 nan 0.000 0.451 251 P HA 0.299 nan 4.420 nan 0.000 0.276 251 P C -0.964 176.501 177.300 0.276 0.000 1.264 251 P CA 0.138 63.316 63.100 0.130 0.000 0.769 251 P CB 0.088 31.835 31.700 0.080 0.000 0.840 252 F N 0.436 120.452 119.950 0.110 0.000 2.613 252 F HA 0.543 5.070 4.527 -0.000 0.000 0.310 252 F C 0.728 176.546 175.800 0.029 0.000 1.085 252 F CA -0.975 57.088 58.000 0.105 0.000 0.945 252 F CB 1.034 40.092 39.000 0.097 0.000 1.298 252 F HN -0.058 nan 8.300 nan 0.000 0.455 253 Q N 0.613 120.513 119.800 0.166 0.000 2.165 253 Q HA 0.110 4.450 4.340 -0.000 0.000 0.197 253 Q C -0.393 175.686 176.000 0.131 0.000 0.952 253 Q CA 1.441 57.266 55.803 0.036 0.000 0.848 253 Q CB -0.149 28.568 28.738 -0.035 0.000 0.931 253 Q HN 0.860 nan 8.270 nan 0.000 0.470 254 H N -1.309 117.779 119.070 0.030 0.000 2.806 254 H HA 0.548 5.104 4.556 -0.000 0.000 0.367 254 H C -1.385 174.035 175.328 0.154 0.000 1.136 254 H CA -0.487 55.581 56.048 0.034 0.000 1.178 254 H CB 1.392 31.016 29.762 -0.229 0.000 1.718 254 H HN -0.009 nan 8.280 nan 0.000 0.540 255 M N 5.825 125.323 119.600 -0.170 0.000 2.294 255 M HA 0.468 4.948 4.480 -0.000 0.000 0.335 255 M C -1.558 174.652 176.300 -0.150 0.000 1.079 255 M CA -0.712 54.474 55.300 -0.190 0.000 0.982 255 M CB 0.840 33.293 32.600 -0.244 0.000 1.651 255 M HN 0.593 nan 8.290 nan 0.000 0.437 256 I N 5.375 125.907 120.570 -0.063 0.000 2.328 256 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 256 I C -1.472 174.523 176.117 -0.204 0.000 1.012 256 I CA -0.645 60.609 61.300 -0.077 0.000 1.195 256 I CB 0.979 38.986 38.000 0.012 0.000 1.350 256 I HN 0.622 nan 8.210 nan 0.000 0.464 257 Y N 5.890 125.890 120.300 -0.500 0.000 2.328 257 Y HA 0.327 4.877 4.550 -0.000 0.000 0.337 257 Y C 0.960 176.646 175.900 -0.358 0.000 1.008 257 Y CA -0.583 57.177 58.100 -0.567 0.000 1.129 257 Y CB 1.538 39.416 38.460 -0.970 0.000 1.185 257 Y HN 0.601 nan 8.280 nan 0.000 0.476 258 T N 1.477 115.526 114.554 -0.842 0.000 3.200 258 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 258 T C 0.560 174.873 174.700 -0.645 0.000 1.009 258 T CA 0.053 61.833 62.100 -0.533 0.000 0.907 258 T CB -0.465 68.241 68.868 -0.271 0.000 1.120 258 T HN 0.742 nan 8.240 nan 0.000 0.534 259 G N 2.025 110.027 108.800 -1.330 0.000 2.525 259 G HA2 0.628 4.588 3.960 -0.000 0.000 0.287 259 G HA3 0.628 4.588 3.960 -0.000 0.000 0.287 259 G C -2.889 171.930 174.900 -0.135 0.000 1.350 259 G CA -1.925 42.770 45.100 -0.674 0.000 1.039 259 G HN 0.169 nan 8.290 nan 0.000 0.513 260 P HA 0.125 nan 4.420 nan 0.000 0.268 260 P C 1.080 178.619 177.300 0.397 0.000 1.205 260 P CA -0.346 62.831 63.100 0.129 0.000 0.771 260 P CB 1.110 32.759 31.700 -0.086 0.000 0.858 261 V N 1.950 122.123 119.914 0.431 0.000 2.453 261 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 261 V C 1.894 178.056 176.094 0.113 0.000 1.048 261 V CA 2.131 64.654 62.300 0.373 0.000 1.049 261 V CB -1.361 30.682 31.823 0.367 0.000 0.672 261 V HN 0.523 nan 8.190 nan 0.000 0.457 262 D N 2.174 122.488 120.400 -0.143 0.000 2.144 262 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 262 D C 2.022 178.027 176.300 -0.492 0.000 0.978 262 D CA 1.698 55.371 54.000 -0.545 0.000 0.833 262 D CB -0.368 40.254 40.800 -0.297 0.000 0.961 262 D HN 0.430 nan 8.370 nan 0.000 0.470 263 A N 0.140 122.685 122.820 -0.457 0.000 1.930 263 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 263 A C 2.090 179.436 177.584 -0.396 0.000 1.175 263 A CA 0.975 52.551 52.037 -0.768 0.000 0.627 263 A CB -1.262 17.625 19.000 -0.190 0.000 0.815 263 A HN 0.259 nan 8.150 nan 0.000 0.443 264 F N -0.673 119.067 119.950 -0.349 0.000 2.216 264 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 264 F C 1.029 176.474 175.800 -0.593 0.000 1.085 264 F CA 1.326 58.989 58.000 -0.561 0.000 1.326 264 F CB -0.055 38.396 39.000 -0.916 0.000 1.027 264 F HN 0.198 nan 8.300 nan 0.000 0.497 265 F N 0.611 120.587 119.950 0.042 0.000 2.668 265 F HA 0.193 4.720 4.527 -0.000 0.000 0.297 265 F C 0.257 176.008 175.800 -0.082 0.000 1.124 265 F CA -0.394 57.628 58.000 0.037 0.000 1.353 265 F CB -0.361 38.779 39.000 0.234 0.000 0.992 265 F HN -0.126 nan 8.300 nan 0.000 0.524 266 D N -0.283 120.024 120.400 -0.154 0.000 2.870 266 D HA -0.271 4.369 4.640 -0.000 0.000 0.228 266 D C 0.055 176.386 176.300 0.053 0.000 1.147 266 D CA 0.761 54.682 54.000 -0.132 0.000 0.757 266 D CB -1.882 38.908 40.800 -0.017 0.000 1.091 266 D HN 0.387 nan 8.370 nan 0.000 0.429 267 F N -2.768 117.305 119.950 0.205 0.000 3.067 267 F HA -0.373 4.154 4.527 -0.000 0.000 0.279 267 F C 2.321 178.246 175.800 0.209 0.000 0.945 267 F CA 0.590 58.734 58.000 0.241 0.000 0.948 267 F CB -2.679 36.416 39.000 0.157 0.000 0.898 267 F HN 0.454 nan 8.300 nan 0.000 0.746 268 C N -2.871 116.565 119.300 0.227 0.000 2.446 268 C HA -0.081 4.379 4.460 -0.000 0.000 0.279 268 C C 1.998 176.868 174.990 -0.199 0.000 1.366 268 C CA 0.795 59.766 59.018 -0.078 0.000 1.763 268 C CB -1.137 26.422 27.740 -0.302 0.000 1.929 268 C HN 0.534 nan 8.230 nan 0.000 0.509 269 Y N 2.358 122.699 120.300 0.069 0.000 2.485 269 Y HA 0.488 5.038 4.550 -0.000 0.000 0.260 269 Y C 1.483 177.459 175.900 0.126 0.000 1.173 269 Y CA 0.149 58.211 58.100 -0.064 0.000 1.252 269 Y CB -0.547 37.641 38.460 -0.452 0.000 1.123 269 Y HN 0.689 nan 8.280 nan 0.000 0.524 270 G N 0.559 109.588 108.800 0.382 0.000 2.619 270 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 270 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 270 G C -1.062 174.104 174.900 0.442 0.000 1.256 270 G CA -1.249 44.051 45.100 0.333 0.000 0.826 270 G HN 0.132 nan 8.290 nan 0.000 0.619 271 K N 0.098 120.676 120.400 0.296 0.000 2.416 271 K HA 0.443 4.763 4.320 -0.000 0.000 0.283 271 K C 0.739 177.500 176.600 0.268 0.000 1.037 271 K CA -0.268 56.197 56.287 0.296 0.000 0.995 271 K CB 0.315 32.880 32.500 0.109 0.000 0.938 271 K HN 0.525 nan 8.250 nan 0.000 0.475 272 L N 7.994 129.377 121.223 0.266 0.000 2.361 272 L HA 0.236 4.576 4.340 -0.000 0.000 0.278 272 L C -1.966 174.948 176.870 0.073 0.000 1.113 272 L CA -2.103 52.786 54.840 0.081 0.000 0.849 272 L CB 0.921 42.921 42.059 -0.097 0.000 1.155 272 L HN 0.630 nan 8.230 nan 0.000 0.452 273 P HA 0.063 nan 4.420 nan 0.000 0.267 273 P C -1.544 175.770 177.300 0.023 0.000 1.209 273 P CA 0.434 63.601 63.100 0.111 0.000 0.763 273 P CB 0.195 31.974 31.700 0.132 0.000 0.816 274 Y N 1.898 122.343 120.300 0.242 0.000 2.391 274 Y HA 0.489 5.039 4.550 -0.000 0.000 0.341 274 Y C 0.854 176.857 175.900 0.172 0.000 0.965 274 Y CA -1.069 57.159 58.100 0.214 0.000 1.067 274 Y CB 1.842 40.405 38.460 0.171 0.000 1.199 274 Y HN 0.157 nan 8.280 nan 0.000 0.450 275 R N 1.391 122.097 120.500 0.344 0.000 2.441 275 R HA 0.506 4.846 4.340 -0.000 0.000 0.284 275 R C -0.288 176.173 176.300 0.268 0.000 1.070 275 R CA 0.030 56.263 56.100 0.221 0.000 1.047 275 R CB 1.095 31.413 30.300 0.031 0.000 1.016 275 R HN 0.682 nan 8.270 nan 0.000 0.477 276 S N 2.200 118.007 115.700 0.179 0.000 2.798 276 S HA 0.784 5.254 4.470 -0.000 0.000 0.312 276 S C -1.291 173.473 174.600 0.272 0.000 1.122 276 S CA -0.733 57.597 58.200 0.216 0.000 0.949 276 S CB 0.646 63.884 63.200 0.062 0.000 1.235 276 S HN 0.412 nan 8.310 nan 0.000 0.552 277 L N 1.179 122.616 121.223 0.356 0.000 2.465 277 L HA 0.562 4.902 4.340 -0.000 0.000 0.257 277 L C -1.004 175.758 176.870 -0.180 0.000 0.988 277 L CA -0.585 54.263 54.840 0.012 0.000 0.827 277 L CB 2.281 44.227 42.059 -0.187 0.000 1.397 277 L HN 0.727 nan 8.230 nan 0.000 0.410 278 E N 1.358 121.383 120.200 -0.292 0.000 2.199 278 E HA 0.557 4.907 4.350 -0.000 0.000 0.269 278 E C -1.866 174.565 176.600 -0.283 0.000 0.899 278 E CA -0.518 55.760 56.400 -0.202 0.000 0.772 278 E CB 1.501 31.184 29.700 -0.029 0.000 1.155 278 E HN 0.338 nan 8.360 nan 0.000 0.408 279 F N 2.951 123.034 119.950 0.222 0.000 2.449 279 F HA 0.475 5.002 4.527 -0.000 0.000 0.342 279 F C 0.260 176.137 175.800 0.129 0.000 1.127 279 F CA -0.923 57.170 58.000 0.155 0.000 0.975 279 F CB 1.581 40.643 39.000 0.104 0.000 1.146 279 F HN 0.242 nan 8.300 nan 0.000 0.444 280 R N 3.188 123.868 120.500 0.299 0.000 2.215 280 R HA 0.304 4.644 4.340 -0.000 0.000 0.336 280 R C -0.664 175.741 176.300 0.175 0.000 0.996 280 R CA -0.628 55.609 56.100 0.230 0.000 0.847 280 R CB 0.638 31.064 30.300 0.209 0.000 1.127 280 R HN 0.637 nan 8.270 nan 0.000 0.465 281 H N 2.150 121.354 119.070 0.225 0.000 2.487 281 H HA 0.278 4.834 4.556 -0.000 0.000 0.333 281 H C -0.241 175.179 175.328 0.154 0.000 1.114 281 H CA -0.039 56.127 56.048 0.197 0.000 1.310 281 H CB 1.789 31.637 29.762 0.143 0.000 1.462 281 H HN 0.501 nan 8.280 nan 0.000 0.516 282 E N 0.780 121.146 120.200 0.276 0.000 2.383 282 E HA 0.317 4.667 4.350 -0.000 0.000 0.275 282 E C -0.985 175.702 176.600 0.145 0.000 0.918 282 E CA -0.761 55.741 56.400 0.169 0.000 0.764 282 E CB 2.403 32.236 29.700 0.222 0.000 1.252 282 E HN 0.430 nan 8.360 nan 0.000 0.449 283 T N 1.381 115.931 114.554 -0.007 0.000 2.856 283 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 283 T C -1.234 173.368 174.700 -0.164 0.000 1.008 283 T CA -0.721 61.382 62.100 0.006 0.000 0.997 283 T CB 0.705 69.563 68.868 -0.016 0.000 0.992 283 T HN 0.326 nan 8.240 nan 0.000 0.454 284 H N 0.487 119.568 119.070 0.019 0.000 2.637 284 H HA 0.317 4.873 4.556 -0.000 0.000 0.363 284 H C -0.306 175.035 175.328 0.022 0.000 1.131 284 H CA -0.937 55.126 56.048 0.025 0.000 1.183 284 H CB 1.014 30.793 29.762 0.029 0.000 1.637 284 H HN 0.489 nan 8.280 nan 0.000 0.531 285 D N 1.809 122.288 120.400 0.131 0.000 2.977 285 D HA 0.035 4.675 4.640 -0.000 0.000 0.241 285 D C 0.162 176.528 176.300 0.111 0.000 1.206 285 D CA 0.418 54.480 54.000 0.105 0.000 0.902 285 D CB 0.081 40.935 40.800 0.089 0.000 1.131 285 D HN 0.336 nan 8.370 nan 0.000 0.447 286 T N -1.217 113.404 114.554 0.112 0.000 2.778 286 T HA 0.186 4.536 4.350 -0.000 0.000 0.293 286 T C 0.498 175.242 174.700 0.072 0.000 1.144 286 T CA -0.505 61.647 62.100 0.087 0.000 1.010 286 T CB 2.055 70.966 68.868 0.071 0.000 1.325 286 T HN -0.128 nan 8.240 nan 0.000 0.515 287 E N -0.141 120.093 120.200 0.057 0.000 2.364 287 E HA 0.157 4.507 4.350 -0.000 0.000 0.196 287 E C 0.266 176.873 176.600 0.012 0.000 0.990 287 E CA 0.141 56.568 56.400 0.044 0.000 0.886 287 E CB 0.581 30.307 29.700 0.044 0.000 0.866 287 E HN 0.450 nan 8.360 nan 0.000 0.493 288 Q N 0.446 120.254 119.800 0.013 0.000 2.295 288 Q HA 0.192 4.532 4.340 -0.000 0.000 0.268 288 Q C -0.854 175.153 176.000 0.011 0.000 1.010 288 Q CA -0.182 55.627 55.803 0.010 0.000 0.856 288 Q CB 1.715 30.458 28.738 0.008 0.000 1.349 288 Q HN 0.117 nan 8.270 nan 0.000 0.412 289 L N 3.890 125.113 121.223 0.000 0.000 2.609 289 L HA 0.481 4.821 4.340 -0.000 0.000 0.230 289 L C -1.038 175.804 176.870 -0.046 0.000 1.064 289 L CA 0.650 55.450 54.840 -0.066 0.000 0.873 289 L CB 0.900 42.851 42.059 -0.181 0.000 1.139 289 L HN 0.595 nan 8.230 nan 0.000 0.490 290 L N -0.242 120.983 121.223 0.003 0.000 2.341 290 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 290 L C -1.740 175.126 176.870 -0.006 0.000 1.009 290 L CA -1.780 53.027 54.840 -0.054 0.000 0.819 290 L CB 1.382 43.335 42.059 -0.177 0.000 1.323 290 L HN -0.271 nan 8.230 nan 0.000 0.425 291 P HA -0.033 nan 4.420 nan 0.000 0.220 291 P C 0.171 177.393 177.300 -0.131 0.000 1.152 291 P CA 0.900 63.975 63.100 -0.041 0.000 0.812 291 P CB 0.212 31.874 31.700 -0.064 0.000 0.792 292 T N -6.155 108.170 114.554 -0.383 0.000 2.742 292 T HA 0.555 4.905 4.350 -0.000 0.000 0.282 292 T C 1.446 175.606 174.700 -0.900 0.000 1.025 292 T CA -0.225 61.541 62.100 -0.558 0.000 1.020 292 T CB 0.911 69.575 68.868 -0.340 0.000 1.317 292 T HN -0.068 nan 8.240 nan 0.000 0.538 293 G N 0.301 108.760 108.800 -0.568 0.000 2.440 293 G HA2 0.207 4.167 3.960 -0.000 0.000 0.218 293 G HA3 0.207 4.167 3.960 -0.000 0.000 0.218 293 G C 0.348 175.114 174.900 -0.223 0.000 1.154 293 G CA 0.974 45.926 45.100 -0.248 0.000 0.767 293 G HN 0.898 nan 8.290 nan 0.000 0.552 294 T N -1.010 113.375 114.554 -0.282 0.000 2.909 294 T HA 0.538 4.888 4.350 -0.000 0.000 0.299 294 T C -1.263 173.277 174.700 -0.266 0.000 1.073 294 T CA -0.486 61.482 62.100 -0.221 0.000 0.999 294 T CB 2.899 71.709 68.868 -0.098 0.000 1.098 294 T HN -0.040 nan 8.240 nan 0.000 0.477 295 V N 3.247 123.019 119.914 -0.238 0.000 2.531 295 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 295 V C -0.607 175.313 176.094 -0.289 0.000 1.034 295 V CA -1.031 61.093 62.300 -0.293 0.000 0.865 295 V CB 1.860 33.491 31.823 -0.319 0.000 0.995 295 V HN 0.750 nan 8.190 nan 0.000 0.424 296 N N 2.682 121.210 118.700 -0.285 0.000 2.498 296 N HA 0.476 5.216 4.740 -0.000 0.000 0.287 296 N C -1.117 174.245 175.510 -0.248 0.000 1.097 296 N CA -0.259 52.730 53.050 -0.101 0.000 0.973 296 N CB 1.049 39.507 38.487 -0.050 0.000 1.153 296 N HN 0.578 nan 8.380 nan 0.000 0.472 297 Y N 1.569 121.979 120.300 0.185 0.000 2.919 297 Y HA 0.313 4.863 4.550 -0.000 0.000 0.341 297 Y C -1.488 174.476 175.900 0.106 0.000 1.045 297 Y CA -1.772 56.406 58.100 0.130 0.000 1.218 297 Y CB 1.345 39.902 38.460 0.163 0.000 1.137 297 Y HN 0.550 nan 8.280 nan 0.000 0.577 298 P HA -0.119 nan 4.420 nan 0.000 0.218 298 P C 0.481 177.810 177.300 0.048 0.000 1.148 298 P CA 1.612 64.808 63.100 0.161 0.000 0.822 298 P CB 0.464 32.158 31.700 -0.010 0.000 0.784 299 N N -1.696 117.016 118.700 0.019 0.000 2.160 299 N HA 0.099 4.839 4.740 -0.000 0.000 0.226 299 N C -0.472 174.997 175.510 -0.068 0.000 1.256 299 N CA 0.218 53.245 53.050 -0.038 0.000 0.890 299 N CB 0.953 39.396 38.487 -0.075 0.000 1.116 299 N HN 0.170 nan 8.380 nan 0.000 0.517 300 D N 0.082 120.458 120.400 -0.041 0.000 2.645 300 D HA 0.375 5.015 4.640 -0.000 0.000 0.228 300 D C -0.349 175.788 176.300 -0.272 0.000 1.148 300 D CA -0.167 53.690 54.000 -0.237 0.000 0.860 300 D CB 1.871 42.484 40.800 -0.312 0.000 1.548 300 D HN -0.159 nan 8.370 nan 0.000 0.460 301 Y N -0.670 119.414 120.300 -0.360 0.000 2.503 301 Y HA -0.227 4.323 4.550 -0.000 0.000 0.021 301 Y C 1.096 176.683 175.900 -0.520 0.000 1.699 301 Y CA 0.114 57.848 58.100 -0.610 0.000 1.421 301 Y CB -1.059 36.598 38.460 -1.339 0.000 2.066 301 Y HN 0.497 nan 8.280 nan 0.000 0.253 302 A N 0.330 122.964 122.820 -0.311 0.000 1.935 302 A HA 0.109 4.429 4.320 -0.000 0.000 0.214 302 A C 0.352 177.769 177.584 -0.279 0.000 1.178 302 A CA 1.192 53.140 52.037 -0.149 0.000 0.640 302 A CB -0.636 18.440 19.000 0.127 0.000 0.825 302 A HN 0.672 nan 8.150 nan 0.000 0.447 303 Y N -0.783 119.287 120.300 -0.384 0.000 2.379 303 Y HA 0.414 4.964 4.550 -0.000 0.000 0.337 303 Y C 1.451 177.201 175.900 -0.251 0.000 1.238 303 Y CA -0.119 57.622 58.100 -0.599 0.000 1.405 303 Y CB -0.222 37.813 38.460 -0.708 0.000 1.310 303 Y HN 0.043 nan 8.280 nan 0.000 0.569 304 T N -0.919 113.594 114.554 -0.068 0.000 3.035 304 T HA 0.200 4.550 4.350 -0.000 0.000 0.259 304 T C 0.267 175.084 174.700 0.195 0.000 1.078 304 T CA 0.497 62.529 62.100 -0.113 0.000 1.132 304 T CB -0.186 68.450 68.868 -0.388 0.000 0.900 304 T HN 0.864 nan 8.240 nan 0.000 0.480 305 R N -0.583 120.057 120.500 0.233 0.000 2.741 305 R HA 0.646 4.986 4.340 -0.000 0.000 0.276 305 R C -2.353 173.939 176.300 -0.012 0.000 1.028 305 R CA -1.087 55.147 56.100 0.224 0.000 0.865 305 R CB 1.166 31.542 30.300 0.126 0.000 1.268 305 R HN 0.011 nan 8.270 nan 0.000 0.475 306 V N 0.272 120.096 119.914 -0.150 0.000 2.823 306 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 306 V C -0.543 175.325 176.094 -0.376 0.000 1.072 306 V CA -0.863 61.127 62.300 -0.515 0.000 0.937 306 V CB 2.063 33.423 31.823 -0.771 0.000 1.013 306 V HN 0.858 nan 8.190 nan 0.000 0.430 307 S N 1.601 117.028 115.700 -0.455 0.000 2.541 307 S HA 0.557 5.027 4.470 -0.000 0.000 0.280 307 S C -0.906 173.364 174.600 -0.550 0.000 1.112 307 S CA -0.707 57.239 58.200 -0.424 0.000 0.925 307 S CB 2.133 65.102 63.200 -0.384 0.000 1.067 307 S HN 0.867 nan 8.310 nan 0.000 0.479 308 E N 1.444 121.414 120.200 -0.384 0.000 2.114 308 E HA 0.362 4.712 4.350 -0.000 0.000 0.266 308 E C -0.418 176.081 176.600 -0.170 0.000 0.896 308 E CA -0.475 55.778 56.400 -0.246 0.000 0.750 308 E CB 0.452 30.172 29.700 0.034 0.000 1.121 308 E HN 0.608 nan 8.360 nan 0.000 0.413 309 F N 3.264 123.189 119.950 -0.042 0.000 2.293 309 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 309 F C 2.032 177.762 175.800 -0.117 0.000 1.086 309 F CA 0.693 58.616 58.000 -0.128 0.000 1.375 309 F CB 0.058 38.915 39.000 -0.238 0.000 1.045 309 F HN 0.442 nan 8.300 nan 0.000 0.516 310 K N -0.454 119.983 120.400 0.062 0.000 2.103 310 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 310 K C 1.823 178.372 176.600 -0.084 0.000 1.048 310 K CA 1.264 57.529 56.287 -0.036 0.000 0.930 310 K CB -0.362 32.092 32.500 -0.076 0.000 0.716 310 K HN 0.387 nan 8.250 nan 0.000 0.444 311 H N 0.128 119.172 119.070 -0.044 0.000 2.387 311 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 311 H C 2.090 177.283 175.328 -0.225 0.000 1.099 311 H CA 1.473 57.498 56.048 -0.037 0.000 1.315 311 H CB 0.032 29.811 29.762 0.029 0.000 1.380 311 H HN 0.199 nan 8.280 nan 0.000 0.513 312 I N 0.203 120.687 120.570 -0.143 0.000 2.494 312 I HA -0.144 4.026 4.170 -0.000 0.000 0.250 312 I C 2.665 178.557 176.117 -0.375 0.000 1.112 312 I CA 1.298 62.308 61.300 -0.482 0.000 1.438 312 I CB -0.044 37.929 38.000 -0.045 0.000 1.111 312 I HN 0.237 nan 8.210 nan 0.000 0.431 313 T N -2.057 112.402 114.554 -0.158 0.000 3.009 313 T HA 0.158 4.508 4.350 -0.000 0.000 0.258 313 T C 1.728 176.374 174.700 -0.090 0.000 1.063 313 T CA 0.674 62.710 62.100 -0.108 0.000 1.139 313 T CB 0.044 68.852 68.868 -0.100 0.000 0.890 313 T HN 0.475 nan 8.240 nan 0.000 0.471 314 G N 1.304 110.050 108.800 -0.091 0.000 2.143 314 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 314 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 314 G C -0.148 174.741 174.900 -0.019 0.000 0.991 314 G CA 0.306 45.377 45.100 -0.048 0.000 0.689 314 G HN 0.942 nan 8.290 nan 0.000 0.522 315 Q N -0.239 119.550 119.800 -0.017 0.000 2.364 315 Q HA 0.404 4.744 4.340 -0.000 0.000 0.267 315 Q C 0.662 176.691 176.000 0.049 0.000 0.999 315 Q CA -0.288 55.531 55.803 0.028 0.000 0.886 315 Q CB 0.406 29.160 28.738 0.026 0.000 1.243 315 Q HN 0.513 nan 8.270 nan 0.000 0.415 316 R N 2.702 123.252 120.500 0.083 0.000 2.368 316 R HA 0.332 4.672 4.340 -0.000 0.000 0.302 316 R C -1.313 175.091 176.300 0.174 0.000 1.002 316 R CA -0.219 55.936 56.100 0.093 0.000 0.929 316 R CB 0.874 31.211 30.300 0.062 0.000 1.073 316 R HN 0.739 nan 8.270 nan 0.000 0.464 317 H N 2.111 121.205 119.070 0.041 0.000 3.043 317 H HA 0.058 4.614 4.556 -0.000 0.000 0.317 317 H C -0.198 175.161 175.328 0.052 0.000 1.321 317 H CA -0.466 55.612 56.048 0.049 0.000 1.243 317 H CB 1.054 30.805 29.762 -0.018 0.000 1.924 317 H HN 0.972 nan 8.280 nan 0.000 0.527 318 H N 1.096 120.174 119.070 0.013 0.000 2.548 318 H HA 0.216 4.772 4.556 -0.000 0.000 0.268 318 H C -0.201 175.232 175.328 0.176 0.000 0.975 318 H CA 0.044 56.132 56.048 0.066 0.000 1.195 318 H CB 1.135 30.888 29.762 -0.016 0.000 1.397 318 H HN 0.387 nan 8.280 nan 0.000 0.572 319 Q N 0.250 120.040 119.800 -0.016 0.000 2.486 319 Q HA 0.504 4.844 4.340 -0.000 0.000 0.274 319 Q C -0.816 175.182 176.000 -0.002 0.000 1.076 319 Q CA -0.901 54.899 55.803 -0.005 0.000 0.872 319 Q CB 2.672 31.353 28.738 -0.094 0.000 1.383 319 Q HN 0.132 nan 8.270 nan 0.000 0.478 320 T N -0.192 114.360 114.554 -0.003 0.000 2.952 320 T HA 0.477 4.827 4.350 -0.000 0.000 0.305 320 T C -1.438 173.291 174.700 0.048 0.000 1.064 320 T CA -0.372 61.727 62.100 -0.002 0.000 1.008 320 T CB 1.456 70.337 68.868 0.023 0.000 1.078 320 T HN 0.420 nan 8.240 nan 0.000 0.459 321 S N 2.062 117.790 115.700 0.048 0.000 2.482 321 S HA 0.817 5.287 4.470 -0.000 0.000 0.303 321 S C -0.343 174.337 174.600 0.135 0.000 1.091 321 S CA -0.650 57.630 58.200 0.134 0.000 1.057 321 S CB 1.367 64.650 63.200 0.139 0.000 1.031 321 S HN 0.860 nan 8.310 nan 0.000 0.485 322 V N 0.594 120.576 119.914 0.112 0.000 3.102 322 V HA 0.954 5.074 4.120 -0.000 0.000 0.312 322 V C -0.774 175.281 176.094 -0.066 0.000 1.135 322 V CA -0.812 61.415 62.300 -0.121 0.000 1.022 322 V CB 1.754 33.460 31.823 -0.195 0.000 1.056 322 V HN 0.597 nan 8.190 nan 0.000 0.436 323 V N 2.401 122.129 119.914 -0.311 0.000 2.638 323 V HA 0.656 4.776 4.120 -0.000 0.000 0.306 323 V C -1.593 174.323 176.094 -0.296 0.000 1.052 323 V CA -0.425 61.732 62.300 -0.238 0.000 0.885 323 V CB 1.881 33.543 31.823 -0.268 0.000 0.999 323 V HN 0.879 nan 8.190 nan 0.000 0.424 324 Y N 3.956 124.170 120.300 -0.144 0.000 2.320 324 Y HA 0.552 5.102 4.550 -0.000 0.000 0.334 324 Y C 0.568 176.440 175.900 -0.047 0.000 1.055 324 Y CA -0.321 57.653 58.100 -0.211 0.000 1.143 324 Y CB 1.483 39.726 38.460 -0.361 0.000 1.193 324 Y HN 0.587 nan 8.280 nan 0.000 0.477 325 E N 2.938 123.140 120.200 0.003 0.000 2.156 325 E HA 0.287 4.637 4.350 -0.000 0.000 0.279 325 E C -1.659 174.844 176.600 -0.161 0.000 0.965 325 E CA -0.700 55.697 56.400 -0.004 0.000 0.789 325 E CB 1.013 30.735 29.700 0.036 0.000 1.098 325 E HN 0.469 nan 8.360 nan 0.000 0.397 326 Y N 2.911 123.169 120.300 -0.070 0.000 2.328 326 Y HA 0.291 4.841 4.550 -0.000 0.000 0.333 326 Y C -2.236 173.592 175.900 -0.121 0.000 0.958 326 Y CA -3.019 55.048 58.100 -0.054 0.000 1.167 326 Y CB 1.130 39.578 38.460 -0.021 0.000 1.151 326 Y HN 0.409 nan 8.280 nan 0.000 0.470 327 P HA 0.197 nan 4.420 nan 0.000 0.268 327 P C -0.406 176.886 177.300 -0.014 0.000 1.205 327 P CA -0.135 62.915 63.100 -0.082 0.000 0.771 327 P CB 0.764 32.361 31.700 -0.172 0.000 0.858 328 R N 1.615 122.112 120.500 -0.005 0.000 2.725 328 R HA 0.549 4.889 4.340 -0.000 0.000 0.277 328 R C 0.641 176.962 176.300 0.035 0.000 0.987 328 R CA -0.863 55.252 56.100 0.024 0.000 0.901 328 R CB 1.863 32.186 30.300 0.038 0.000 1.207 328 R HN 0.399 nan 8.270 nan 0.000 0.463 329 A N 1.644 124.488 122.820 0.040 0.000 1.935 329 A HA 0.022 4.341 4.320 -0.000 0.000 0.214 329 A C 0.219 177.840 177.584 0.062 0.000 1.178 329 A CA 1.069 53.140 52.037 0.057 0.000 0.640 329 A CB 0.068 19.098 19.000 0.050 0.000 0.825 329 A HN 0.615 nan 8.150 nan 0.000 0.447 330 E N -1.816 118.411 120.200 0.045 0.000 2.222 330 E HA 0.568 4.918 4.350 -0.000 0.000 0.272 330 E C 0.185 176.803 176.600 0.031 0.000 0.982 330 E CA 0.589 57.011 56.400 0.037 0.000 0.842 330 E CB 1.567 31.282 29.700 0.025 0.000 1.144 330 E HN 0.709 nan 8.360 nan 0.000 0.397 331 G N 1.572 110.381 108.800 0.016 0.000 2.347 331 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.341 331 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.341 331 G C -1.460 173.388 174.900 -0.086 0.000 1.287 331 G CA -1.139 43.956 45.100 -0.008 0.000 0.984 331 G HN 0.463 nan 8.290 nan 0.000 0.526 332 D N 1.783 122.079 120.400 -0.173 0.000 2.493 332 D HA 0.390 5.030 4.640 -0.000 0.000 0.240 332 D C -1.975 173.975 176.300 -0.583 0.000 1.142 332 D CA -0.013 53.782 54.000 -0.342 0.000 0.872 332 D CB 0.782 41.365 40.800 -0.362 0.000 1.173 332 D HN 0.170 nan 8.370 nan 0.000 0.467 333 P HA 0.031 nan 4.420 nan 0.000 0.266 333 P C -0.309 176.798 177.300 -0.321 0.000 1.215 333 P CA 0.429 63.329 63.100 -0.333 0.000 0.763 333 P CB 0.148 31.459 31.700 -0.649 0.000 0.806 334 Y N 1.202 121.567 120.300 0.108 0.000 2.594 334 Y HA 0.193 4.743 4.550 -0.000 0.000 0.283 334 Y C 0.405 176.235 175.900 -0.116 0.000 1.140 334 Y CA -0.128 57.974 58.100 0.004 0.000 1.261 334 Y CB 0.296 38.797 38.460 0.070 0.000 1.358 334 Y HN 0.185 nan 8.280 nan 0.000 0.513 335 Y N 1.265 121.691 120.300 0.210 0.000 2.341 335 Y HA 0.413 4.963 4.550 -0.000 0.000 0.338 335 Y C -2.590 173.369 175.900 0.099 0.000 0.965 335 Y CA -3.640 54.487 58.100 0.047 0.000 1.108 335 Y CB 0.839 39.241 38.460 -0.097 0.000 1.180 335 Y HN -0.170 nan 8.280 nan 0.000 0.458 336 P HA 0.075 nan 4.420 nan 0.000 0.272 336 P C -0.774 176.396 177.300 -0.217 0.000 1.223 336 P CA -0.181 62.600 63.100 -0.531 0.000 0.784 336 P CB 0.786 31.871 31.700 -1.025 0.000 0.923 337 V N 4.528 124.336 119.914 -0.178 0.000 2.239 337 V HA 0.221 4.341 4.120 -0.000 0.000 0.267 337 V C -2.179 173.882 176.094 -0.054 0.000 1.056 337 V CA -1.837 60.466 62.300 0.005 0.000 0.830 337 V CB 0.704 32.623 31.823 0.159 0.000 1.090 337 V HN 0.486 nan 8.190 nan 0.000 0.459 338 P HA 0.230 nan 4.420 nan 0.000 0.263 338 P C -0.242 177.016 177.300 -0.070 0.000 1.247 338 P CA 0.248 63.307 63.100 -0.067 0.000 0.876 338 P CB 0.109 31.769 31.700 -0.067 0.000 0.928 339 R N 2.996 123.498 120.500 0.004 0.000 2.692 339 R HA 0.460 4.800 4.340 -0.000 0.000 0.269 339 R C -2.751 173.566 176.300 0.029 0.000 1.030 339 R CA -2.031 54.067 56.100 -0.003 0.000 0.882 339 R CB -0.044 30.247 30.300 -0.014 0.000 1.250 339 R HN -0.092 nan 8.270 nan 0.000 0.465 340 P HA -0.279 nan 4.420 nan 0.000 0.216 340 P C 0.752 178.068 177.300 0.027 0.000 1.157 340 P CA 2.037 65.149 63.100 0.020 0.000 0.880 340 P CB 0.112 31.817 31.700 0.008 0.000 0.791 341 E N -1.061 119.155 120.200 0.026 0.000 2.106 341 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 341 E C 1.675 178.297 176.600 0.037 0.000 0.984 341 E CA 1.003 57.418 56.400 0.026 0.000 0.806 341 E CB -0.956 28.760 29.700 0.026 0.000 0.750 341 E HN 0.184 nan 8.360 nan 0.000 0.458 342 N N 1.376 120.111 118.700 0.059 0.000 2.188 342 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 342 N C 1.856 177.405 175.510 0.065 0.000 1.018 342 N CA 1.452 54.544 53.050 0.070 0.000 0.858 342 N CB -0.420 38.159 38.487 0.154 0.000 0.989 342 N HN 0.334 nan 8.380 nan 0.000 0.426 343 A N 0.999 123.882 122.820 0.106 0.000 1.908 343 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 343 A C 2.225 179.865 177.584 0.093 0.000 1.181 343 A CA 1.684 53.802 52.037 0.135 0.000 0.627 343 A CB -0.525 18.541 19.000 0.109 0.000 0.818 343 A HN 0.249 nan 8.150 nan 0.000 0.445 344 E N 0.036 120.257 120.200 0.036 0.000 2.031 344 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 344 E C 1.902 178.471 176.600 -0.051 0.000 0.994 344 E CA 1.263 57.654 56.400 -0.015 0.000 0.800 344 E CB -0.418 29.268 29.700 -0.022 0.000 0.752 344 E HN 0.514 nan 8.360 nan 0.000 0.447 345 L N -0.213 120.997 121.223 -0.021 0.000 2.042 345 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 345 L C 2.329 179.210 176.870 0.019 0.000 1.076 345 L CA 1.891 56.722 54.840 -0.016 0.000 0.749 345 L CB -0.414 41.682 42.059 0.061 0.000 0.893 345 L HN 0.361 nan 8.230 nan 0.000 0.432 346 Y N 0.793 121.031 120.300 -0.104 0.000 2.274 346 Y HA -0.296 4.254 4.550 -0.000 0.000 0.290 346 Y C 2.520 178.396 175.900 -0.040 0.000 1.145 346 Y CA 1.818 59.854 58.100 -0.106 0.000 1.203 346 Y CB -0.192 38.088 38.460 -0.301 0.000 0.984 346 Y HN 0.052 nan 8.280 nan 0.000 0.533 347 K N 0.343 120.596 120.400 -0.245 0.000 2.103 347 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 347 K C 2.063 178.425 176.600 -0.397 0.000 1.048 347 K CA 1.616 57.711 56.287 -0.321 0.000 0.930 347 K CB 0.028 32.435 32.500 -0.154 0.000 0.716 347 K HN 0.264 nan 8.250 nan 0.000 0.444 348 K N -0.383 119.760 120.400 -0.428 0.000 2.002 348 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 348 K C 2.171 178.455 176.600 -0.526 0.000 1.048 348 K CA 1.680 57.583 56.287 -0.639 0.000 0.930 348 K CB -0.497 31.349 32.500 -1.090 0.000 0.714 348 K HN 0.281 nan 8.250 nan 0.000 0.438 349 Y N 1.681 121.791 120.300 -0.316 0.000 2.293 349 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 349 Y C 2.628 178.250 175.900 -0.464 0.000 1.137 349 Y CA 1.152 59.093 58.100 -0.265 0.000 1.202 349 Y CB -0.105 38.316 38.460 -0.066 0.000 0.990 349 Y HN 0.252 nan 8.280 nan 0.000 0.537 350 E N 0.256 120.146 120.200 -0.516 0.000 2.153 350 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 350 E C 2.293 178.700 176.600 -0.322 0.000 0.988 350 E CA 0.855 56.940 56.400 -0.525 0.000 0.811 350 E CB -0.115 29.165 29.700 -0.700 0.000 0.746 350 E HN 0.462 nan 8.360 nan 0.000 0.466 351 A N 1.044 123.683 122.820 -0.301 0.000 1.898 351 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 351 A C 2.175 179.635 177.584 -0.207 0.000 1.181 351 A CA 0.977 52.885 52.037 -0.216 0.000 0.620 351 A CB -0.598 18.276 19.000 -0.209 0.000 0.819 351 A HN 0.277 nan 8.150 nan 0.000 0.442 352 L N -0.836 120.193 121.223 -0.322 0.000 2.083 352 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 352 L C 3.091 179.837 176.870 -0.206 0.000 1.083 352 L CA 1.049 55.635 54.840 -0.423 0.000 0.752 352 L CB -0.706 40.703 42.059 -1.083 0.000 0.899 352 L HN 0.467 nan 8.230 nan 0.000 0.433 353 A N 0.141 122.821 122.820 -0.233 0.000 1.858 353 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 353 A C 1.937 179.513 177.584 -0.014 0.000 1.190 353 A CA 1.895 53.803 52.037 -0.215 0.000 0.617 353 A CB -0.573 17.924 19.000 -0.839 0.000 0.827 353 A HN 0.332 nan 8.150 nan 0.000 0.443 354 D N 0.144 120.512 120.400 -0.054 0.000 2.158 354 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 354 D C 2.090 178.432 176.300 0.071 0.000 0.995 354 D CA 1.548 55.565 54.000 0.028 0.000 0.846 354 D CB -0.355 40.440 40.800 -0.008 0.000 0.941 354 D HN 0.452 nan 8.370 nan 0.000 0.456 355 A N 0.833 123.684 122.820 0.052 0.000 2.014 355 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 355 A C 1.450 179.120 177.584 0.143 0.000 1.163 355 A CA 0.798 52.881 52.037 0.076 0.000 0.652 355 A CB -0.398 18.625 19.000 0.038 0.000 0.808 355 A HN 0.198 nan 8.150 nan 0.000 0.449 356 A N 0.120 123.075 122.820 0.226 0.000 2.526 356 A HA 0.232 4.552 4.320 -0.000 0.000 0.267 356 A C 1.052 178.761 177.584 0.209 0.000 1.095 356 A CA 0.532 52.739 52.037 0.284 0.000 0.775 356 A CB -0.016 19.246 19.000 0.437 0.000 1.036 356 A HN 0.511 nan 8.150 nan 0.000 0.510 357 Q N 1.690 121.588 119.800 0.163 0.000 1.948 357 Q HA -0.139 4.201 4.340 -0.000 0.000 0.205 357 Q C 0.399 176.488 176.000 0.148 0.000 0.992 357 Q CA 2.383 58.268 55.803 0.137 0.000 0.849 357 Q CB 0.117 28.918 28.738 0.104 0.000 0.918 357 Q HN 0.799 nan 8.270 nan 0.000 0.421 358 D N -0.199 120.251 120.400 0.083 0.000 2.895 358 D HA 0.192 4.832 4.640 -0.000 0.000 0.258 358 D C -1.150 174.877 176.300 -0.454 0.000 1.311 358 D CA 0.052 54.025 54.000 -0.046 0.000 0.843 358 D CB 0.578 41.398 40.800 0.035 0.000 1.055 358 D HN -0.043 nan 8.370 nan 0.000 0.486 359 V N 0.286 120.056 119.914 -0.240 0.000 2.656 359 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 359 V C 0.290 176.329 176.094 -0.090 0.000 1.051 359 V CA -0.575 61.538 62.300 -0.312 0.000 0.893 359 V CB 2.388 34.064 31.823 -0.245 0.000 0.999 359 V HN -0.060 nan 8.190 nan 0.000 0.426 360 T N 4.716 119.210 114.554 -0.100 0.000 2.807 360 T HA 0.673 5.023 4.350 -0.000 0.000 0.279 360 T C -0.873 173.784 174.700 -0.073 0.000 0.993 360 T CA -0.134 62.053 62.100 0.144 0.000 0.970 360 T CB 0.790 69.854 68.868 0.327 0.000 0.950 360 T HN 0.297 nan 8.240 nan 0.000 0.441 361 F N 2.612 122.610 119.950 0.079 0.000 2.404 361 F HA 0.656 5.183 4.527 -0.000 0.000 0.354 361 F C 0.263 176.126 175.800 0.105 0.000 1.122 361 F CA -0.903 57.146 58.000 0.082 0.000 1.080 361 F CB 1.416 40.479 39.000 0.104 0.000 1.131 361 F HN 0.244 nan 8.300 nan 0.000 0.471 362 V N 2.854 122.884 119.914 0.195 0.000 2.932 362 V HA 0.982 5.102 4.120 -0.000 0.000 0.307 362 V C -0.540 175.633 176.094 0.132 0.000 1.147 362 V CA 0.175 62.577 62.300 0.169 0.000 0.951 362 V CB 1.381 33.276 31.823 0.121 0.000 1.031 362 V HN 1.242 nan 8.190 nan 0.000 0.426 363 G N 4.872 113.783 108.800 0.185 0.000 2.392 363 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.677 363 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.677 363 G C 0.050 175.067 174.900 0.196 0.000 1.334 363 G CA 0.092 45.297 45.100 0.176 0.000 0.961 363 G HN 1.350 nan 8.290 nan 0.000 0.616 364 R N -0.386 120.230 120.500 0.193 0.000 2.091 364 R HA 0.020 4.360 4.340 -0.000 0.000 0.238 364 R C 2.118 178.482 176.300 0.106 0.000 1.136 364 R CA 2.088 58.271 56.100 0.140 0.000 0.959 364 R CB -0.318 30.077 30.300 0.158 0.000 0.856 364 R HN 0.533 nan 8.270 nan 0.000 0.437 365 L N -0.201 121.089 121.223 0.111 0.000 2.127 365 L HA 0.078 4.418 4.340 -0.000 0.000 0.203 365 L C 2.697 179.726 176.870 0.265 0.000 1.080 365 L CA 0.881 55.813 54.840 0.153 0.000 0.768 365 L CB -0.402 41.637 42.059 -0.033 0.000 0.924 365 L HN 0.271 nan 8.230 nan 0.000 0.444 366 A N 0.013 122.960 122.820 0.212 0.000 1.968 366 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 366 A C 2.180 180.008 177.584 0.408 0.000 1.169 366 A CA 1.945 54.200 52.037 0.363 0.000 0.638 366 A CB -0.634 18.562 19.000 0.326 0.000 0.812 366 A HN 0.479 nan 8.150 nan 0.000 0.446 367 T N -7.261 107.461 114.554 0.280 0.000 3.054 367 T HA 0.185 4.535 4.350 -0.000 0.000 0.255 367 T C 0.365 175.032 174.700 -0.056 0.000 1.035 367 T CA 0.286 62.516 62.100 0.217 0.000 0.941 367 T CB -0.378 68.600 68.868 0.184 0.000 1.026 367 T HN 0.687 nan 8.240 nan 0.000 0.533 368 Y N 2.275 122.478 120.300 -0.162 0.000 3.234 368 Y HA -0.258 4.292 4.550 -0.000 0.000 0.207 368 Y C -0.372 175.339 175.900 -0.315 0.000 1.316 368 Y CA -0.091 57.833 58.100 -0.294 0.000 1.309 368 Y CB -1.835 36.174 38.460 -0.753 0.000 1.408 368 Y HN 0.438 nan 8.280 nan 0.000 0.544 369 R N 1.035 121.357 120.500 -0.298 0.000 2.494 369 R HA 0.262 4.602 4.340 -0.000 0.000 0.305 369 R C -0.705 175.424 176.300 -0.284 0.000 0.959 369 R CA -1.163 54.668 56.100 -0.447 0.000 0.864 369 R CB 1.007 30.747 30.300 -0.933 0.000 1.159 369 R HN 0.164 nan 8.270 nan 0.000 0.446 370 Y N 4.256 124.410 120.300 -0.244 0.000 2.525 370 Y HA 0.023 4.573 4.550 -0.000 0.000 0.337 370 Y C -0.998 174.973 175.900 0.119 0.000 1.248 370 Y CA -0.405 57.692 58.100 -0.005 0.000 1.882 370 Y CB -0.474 38.038 38.460 0.088 0.000 1.811 370 Y HN 0.365 nan 8.280 nan 0.000 0.434 371 Y N 2.367 122.843 120.300 0.293 0.000 2.361 371 Y HA 0.302 4.852 4.550 -0.000 0.000 0.332 371 Y C 0.573 176.548 175.900 0.126 0.000 1.101 371 Y CA -1.675 56.516 58.100 0.152 0.000 1.137 371 Y CB 0.858 39.377 38.460 0.098 0.000 1.207 371 Y HN 0.348 nan 8.280 nan 0.000 0.463 372 N N 2.578 121.391 118.700 0.189 0.000 2.445 372 N HA 0.196 4.936 4.740 -0.000 0.000 0.264 372 N C 1.237 176.693 175.510 -0.090 0.000 1.227 372 N CA -0.225 52.837 53.050 0.020 0.000 0.963 372 N CB 0.712 39.124 38.487 -0.125 0.000 1.188 372 N HN 0.662 nan 8.380 nan 0.000 0.491 373 M N 0.340 119.850 119.600 -0.150 0.000 2.088 373 M HA -0.249 4.231 4.480 -0.000 0.000 0.256 373 M C 1.475 177.569 176.300 -0.344 0.000 1.071 373 M CA 1.781 56.882 55.300 -0.333 0.000 1.097 373 M CB -0.439 31.927 32.600 -0.390 0.000 1.315 373 M HN 0.583 nan 8.290 nan 0.000 0.406 374 D N -0.026 120.217 120.400 -0.262 0.000 2.144 374 D HA -0.211 4.429 4.640 -0.000 0.000 0.199 374 D C 1.716 177.894 176.300 -0.203 0.000 0.984 374 D CA 1.547 55.450 54.000 -0.162 0.000 0.834 374 D CB -0.676 39.934 40.800 -0.316 0.000 0.955 374 D HN 0.522 nan 8.370 nan 0.000 0.465 375 Q N 0.191 119.812 119.800 -0.298 0.000 2.084 375 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 375 Q C 2.633 178.348 176.000 -0.475 0.000 0.978 375 Q CA 1.152 56.681 55.803 -0.457 0.000 0.844 375 Q CB 0.052 28.378 28.738 -0.687 0.000 0.898 375 Q HN 0.204 nan 8.270 nan 0.000 0.426 376 V N 0.232 119.972 119.914 -0.290 0.000 2.343 376 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 376 V C 2.228 178.304 176.094 -0.030 0.000 1.051 376 V CA 1.416 63.672 62.300 -0.073 0.000 1.036 376 V CB -0.443 31.431 31.823 0.085 0.000 0.654 376 V HN 0.194 nan 8.190 nan 0.000 0.451 377 V N 0.335 120.218 119.914 -0.051 0.000 2.332 377 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 377 V C 2.681 178.756 176.094 -0.031 0.000 1.055 377 V CA 2.064 64.376 62.300 0.020 0.000 1.038 377 V CB -1.131 30.730 31.823 0.064 0.000 0.651 377 V HN 0.569 nan 8.190 nan 0.000 0.450 378 A N -1.090 121.688 122.820 -0.071 0.000 1.898 378 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 378 A C 2.255 179.810 177.584 -0.050 0.000 1.181 378 A CA 1.946 53.941 52.037 -0.070 0.000 0.620 378 A CB -0.538 18.404 19.000 -0.095 0.000 0.819 378 A HN 0.566 nan 8.150 nan 0.000 0.442 379 Q N -0.668 119.096 119.800 -0.060 0.000 2.096 379 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 379 Q C 2.250 178.280 176.000 0.049 0.000 0.982 379 Q CA 1.595 57.408 55.803 0.017 0.000 0.850 379 Q CB -0.292 28.490 28.738 0.073 0.000 0.901 379 Q HN 0.641 nan 8.270 nan 0.000 0.422 380 A N 0.469 123.312 122.820 0.038 0.000 1.898 380 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 380 A C 2.031 179.632 177.584 0.029 0.000 1.181 380 A CA 0.876 52.939 52.037 0.043 0.000 0.620 380 A CB -0.607 18.417 19.000 0.040 0.000 0.819 380 A HN 0.404 nan 8.150 nan 0.000 0.442 381 L N -0.693 120.513 121.223 -0.028 0.000 2.042 381 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 381 L C 3.106 180.015 176.870 0.065 0.000 1.076 381 L CA 1.138 55.963 54.840 -0.025 0.000 0.749 381 L CB -0.552 41.432 42.059 -0.124 0.000 0.893 381 L HN 0.451 nan 8.230 nan 0.000 0.432 382 A N -0.561 122.282 122.820 0.038 0.000 1.902 382 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 382 A C 2.355 179.971 177.584 0.054 0.000 1.181 382 A CA 2.307 54.368 52.037 0.041 0.000 0.623 382 A CB -0.875 18.147 19.000 0.037 0.000 0.818 382 A HN 0.383 nan 8.150 nan 0.000 0.443 383 T N -0.690 113.911 114.554 0.080 0.000 2.746 383 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 383 T C 1.582 176.338 174.700 0.093 0.000 1.039 383 T CA 1.503 63.657 62.100 0.089 0.000 1.142 383 T CB -0.402 68.531 68.868 0.108 0.000 0.866 383 T HN 0.504 nan 8.240 nan 0.000 0.444 384 F N 2.268 122.197 119.950 -0.035 0.000 2.202 384 F HA -0.063 4.464 4.527 -0.000 0.000 0.301 384 F C 2.233 178.013 175.800 -0.032 0.000 1.082 384 F CA 1.073 59.040 58.000 -0.055 0.000 1.313 384 F CB -0.231 38.722 39.000 -0.078 0.000 1.024 384 F HN -0.040 nan 8.300 nan 0.000 0.495 385 R N -0.036 120.349 120.500 -0.192 0.000 2.090 385 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 385 R C 2.387 178.568 176.300 -0.198 0.000 1.110 385 R CA 1.370 57.308 56.100 -0.269 0.000 0.973 385 R CB -0.177 30.061 30.300 -0.104 0.000 0.869 385 R HN 0.313 nan 8.270 nan 0.000 0.440 386 R N 0.408 120.848 120.500 -0.099 0.000 2.075 386 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 386 R C 2.139 178.387 176.300 -0.087 0.000 1.140 386 R CA 1.211 57.275 56.100 -0.060 0.000 0.928 386 R CB -0.742 29.555 30.300 -0.004 0.000 0.834 386 R HN 0.034 nan 8.270 nan 0.000 0.429 387 L N 1.262 122.435 121.223 -0.083 0.000 2.137 387 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 387 L C 2.319 179.113 176.870 -0.126 0.000 1.085 387 L CA 1.716 56.513 54.840 -0.073 0.000 0.760 387 L CB -0.652 41.397 42.059 -0.017 0.000 0.893 387 L HN 0.187 nan 8.230 nan 0.000 0.434 388 Q N -1.336 118.299 119.800 -0.275 0.000 2.398 388 Q HA 0.194 4.534 4.340 -0.000 0.000 0.204 388 Q C 1.592 177.488 176.000 -0.173 0.000 0.932 388 Q CA 0.921 56.538 55.803 -0.310 0.000 0.916 388 Q CB 0.393 28.735 28.738 -0.661 0.000 1.024 388 Q HN 0.453 nan 8.270 nan 0.000 0.504 389 G N -1.134 107.585 108.800 -0.136 0.000 2.255 389 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.196 389 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.196 389 G C 0.178 175.038 174.900 -0.068 0.000 0.998 389 G CA 0.101 45.154 45.100 -0.079 0.000 0.656 389 G HN 0.331 nan 8.290 nan 0.000 0.490 390 Q N 0.000 119.746 119.800 -0.091 0.000 2.315 390 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 390 Q CA 0.000 55.766 55.803 -0.062 0.000 1.022 390 Q CB 0.000 28.696 28.738 -0.070 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481