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 3krw_1_A DATA FIRST_RESID 30 DATA SEQUENCE KKILLPEPSI RSVMQKYLED RGEVTFEKIF SQKLGYLLFR DFCLNHLEEA DATA SEQUENCE RPLVEFYEEI KKYEKLETEE ERVARSREIF DSYIMKELLA XXHPFSKSAT DATA SEQUENCE EHVQGHLGKK QVPPDLFQPY IEEICQNLRG DVFQKFIESD KFTRFCQWKN DATA SEQUENCE VELNIHLTMN DFSVHRIIGR GGFGEVYGCR KADTGKMYAM KCLDKKRIKM DATA SEQUENCE KQGETLALNE RIMLSLVSTG DCPFIVCMSY AFHTPDKLSF ILDLMNGGDL DATA SEQUENCE HYHLSQHGVF SEADMRFYAA EIILGLEHMH NRFVVYRDLK PANILLDEHG DATA SEQUENCE HVRISDLGLA CDFSKKKPHA SVGTHGYMAP EVLQKGVAYD SSADWFSLGC DATA SEQUENCE MLFKLLRGHS PFRQHKTKDK HEIDRMTLTM AVELPDSFSP ELRSLLEGLL DATA SEQUENCE QRDVNRRLGC LGRGAQEVKE SPFFRSLDWQ MVFLQKYPPP LIPPRXXXXX DATA SEQUENCE XXXXXXXXXX EEDTKGIKLL DSDQELYRNF PLTISERWQQ EVAETVFDTI DATA SEQUENCE NAETDRLEAR KKAKNKQLGH EEDYALGKDC IMHGYMSKMX XXXXXXWQRR DATA SEQUENCE YFYLFPNRLE WRGEGEAPQS LLTMEEIQSV EETQIKERKC LLLKIRGGKQ DATA SEQUENCE FILQCDSDPE LVQWKKELRD AYREAQQLVQ RVPKMKNKPR SP 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 30 K HA 0.000 nan 4.320 nan 0.000 0.191 30 K C 0.000 176.580 176.600 -0.034 0.000 0.988 30 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 30 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 31 K N 2.097 122.485 120.400 -0.019 0.000 2.126 31 K HA 0.379 4.698 4.320 -0.002 0.000 0.257 31 K C 0.069 176.667 176.600 -0.002 0.000 1.007 31 K CA -0.327 55.959 56.287 -0.002 0.000 0.928 31 K CB 0.948 33.452 32.500 0.006 0.000 1.013 31 K HN 0.045 nan 8.250 nan 0.000 0.473 32 I N 2.674 123.261 120.570 0.027 0.000 2.598 32 I HA -0.079 4.090 4.170 -0.002 0.000 0.284 32 I C -0.198 175.896 176.117 -0.038 0.000 1.140 32 I CA -0.160 61.152 61.300 0.020 0.000 1.420 32 I CB 0.199 38.260 38.000 0.102 0.000 1.387 32 I HN 0.238 nan 8.210 nan 0.000 0.553 33 L N 8.802 129.980 121.223 -0.076 0.000 2.318 33 L HA 0.441 4.779 4.340 -0.002 0.000 0.277 33 L C -0.465 176.306 176.870 -0.166 0.000 1.008 33 L CA -0.216 54.559 54.840 -0.107 0.000 0.846 33 L CB 0.807 42.814 42.059 -0.086 0.000 1.220 33 L HN 0.401 nan 8.230 nan 0.000 0.423 34 L N 6.899 127.978 121.223 -0.240 0.000 2.483 34 L HA 0.287 4.626 4.340 -0.002 0.000 0.276 34 L C -1.548 175.200 176.870 -0.204 0.000 1.213 34 L CA -1.407 53.241 54.840 -0.319 0.000 0.843 34 L CB 0.193 41.987 42.059 -0.442 0.000 1.107 34 L HN 0.551 nan 8.230 nan 0.000 0.487 35 P HA 0.125 nan 4.420 nan 0.000 0.275 35 P C -0.704 176.546 177.300 -0.083 0.000 1.266 35 P CA -0.497 62.533 63.100 -0.117 0.000 0.793 35 P CB 0.688 32.326 31.700 -0.104 0.000 1.074 36 E N 0.437 120.630 120.200 -0.011 0.000 2.371 36 E HA 0.084 4.432 4.350 -0.002 0.000 0.257 36 E C -1.510 175.113 176.600 0.039 0.000 1.134 36 E CA -1.387 55.033 56.400 0.034 0.000 0.919 36 E CB -0.107 29.668 29.700 0.124 0.000 1.025 36 E HN 0.328 nan 8.360 nan 0.000 0.438 37 P HA -0.195 nan 4.420 nan 0.000 0.219 37 P C 1.136 178.476 177.300 0.066 0.000 1.146 37 P CA 1.307 64.426 63.100 0.031 0.000 0.808 37 P CB 0.090 31.811 31.700 0.035 0.000 0.779 38 S N -0.712 115.072 115.700 0.139 0.000 2.419 38 S HA -0.180 4.288 4.470 -0.002 0.000 0.235 38 S C 1.953 176.625 174.600 0.120 0.000 1.019 38 S CA 0.821 59.150 58.200 0.214 0.000 0.982 38 S CB -1.476 61.950 63.200 0.378 0.000 0.789 38 S HN -0.033 nan 8.310 nan 0.000 0.490 39 I N 2.710 123.324 120.570 0.073 0.000 2.381 39 I HA -0.217 3.951 4.170 -0.002 0.000 0.255 39 I C 2.736 178.810 176.117 -0.072 0.000 1.140 39 I CA 1.475 62.770 61.300 -0.009 0.000 1.404 39 I CB -1.111 36.860 38.000 -0.049 0.000 1.075 39 I HN 0.491 nan 8.210 nan 0.000 0.433 40 R N 0.479 120.942 120.500 -0.062 0.000 2.096 40 R HA -0.234 4.105 4.340 -0.002 0.000 0.240 40 R C 2.529 178.780 176.300 -0.082 0.000 1.139 40 R CA 2.257 58.311 56.100 -0.077 0.000 0.952 40 R CB -0.386 29.896 30.300 -0.030 0.000 0.854 40 R HN 0.246 nan 8.270 nan 0.000 0.436 41 S N -0.715 114.902 115.700 -0.138 0.000 2.380 41 S HA -0.134 4.334 4.470 -0.002 0.000 0.229 41 S C 1.793 176.244 174.600 -0.247 0.000 1.043 41 S CA 1.737 59.772 58.200 -0.275 0.000 1.038 41 S CB -0.166 62.585 63.200 -0.747 0.000 0.872 41 S HN 0.293 nan 8.310 nan 0.000 0.456 42 V N 1.706 121.485 119.914 -0.226 0.000 2.331 42 V HA -0.036 4.082 4.120 -0.002 0.000 0.242 42 V C 2.618 178.640 176.094 -0.120 0.000 1.034 42 V CA 1.411 63.576 62.300 -0.225 0.000 1.027 42 V CB -0.581 31.121 31.823 -0.201 0.000 0.667 42 V HN 0.424 nan 8.190 nan 0.000 0.457 43 M N 0.032 119.566 119.600 -0.110 0.000 2.080 43 M HA -0.228 4.251 4.480 -0.002 0.000 0.260 43 M C 2.286 178.605 176.300 0.031 0.000 1.068 43 M CA 1.855 57.102 55.300 -0.087 0.000 1.109 43 M CB -1.270 31.228 32.600 -0.169 0.000 1.342 43 M HN 0.494 nan 8.290 nan 0.000 0.405 44 Q N 0.472 120.297 119.800 0.042 0.000 2.045 44 Q HA -0.211 4.128 4.340 -0.002 0.000 0.206 44 Q C 1.980 178.057 176.000 0.129 0.000 0.991 44 Q CA 1.873 57.778 55.803 0.169 0.000 0.851 44 Q CB 0.020 28.875 28.738 0.194 0.000 0.911 44 Q HN 0.405 nan 8.270 nan 0.000 0.418 45 K N -0.541 119.886 120.400 0.046 0.000 2.103 45 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 45 K C 2.033 178.664 176.600 0.051 0.000 1.048 45 K CA 1.484 57.779 56.287 0.014 0.000 0.930 45 K CB -0.365 32.094 32.500 -0.068 0.000 0.716 45 K HN 0.394 nan 8.250 nan 0.000 0.444 46 Y N 1.867 122.135 120.300 -0.053 0.000 2.114 46 Y HA -0.206 4.343 4.550 -0.002 0.000 0.284 46 Y C 2.048 177.951 175.900 0.005 0.000 1.143 46 Y CA 1.355 59.431 58.100 -0.040 0.000 1.135 46 Y CB -0.190 38.234 38.460 -0.059 0.000 0.980 46 Y HN -0.092 nan 8.280 nan 0.000 0.499 47 L N 0.027 121.434 121.223 0.306 0.000 1.994 47 L HA -0.225 4.114 4.340 -0.002 0.000 0.208 47 L C 2.466 179.423 176.870 0.144 0.000 1.071 47 L CA 1.648 56.640 54.840 0.253 0.000 0.745 47 L CB -0.755 41.499 42.059 0.325 0.000 0.892 47 L HN 0.293 nan 8.230 nan 0.000 0.431 48 E N 0.280 120.558 120.200 0.131 0.000 2.130 48 E HA -0.251 4.098 4.350 -0.002 0.000 0.196 48 E C 1.665 178.280 176.600 0.024 0.000 0.998 48 E CA 1.495 57.944 56.400 0.081 0.000 0.806 48 E CB -0.239 29.499 29.700 0.064 0.000 0.738 48 E HN 0.517 nan 8.360 nan 0.000 0.459 49 D N 0.067 120.453 120.400 -0.022 0.000 2.219 49 D HA -0.081 4.557 4.640 -0.002 0.000 0.205 49 D C 1.217 177.468 176.300 -0.081 0.000 0.970 49 D CA 0.808 54.766 54.000 -0.071 0.000 0.851 49 D CB -0.043 40.677 40.800 -0.134 0.000 0.943 49 D HN 0.063 nan 8.370 nan 0.000 0.488 50 R N -0.697 119.758 120.500 -0.075 0.000 2.507 50 R HA 0.308 4.646 4.340 -0.002 0.000 0.298 50 R C 0.996 177.303 176.300 0.011 0.000 0.999 50 R CA 0.235 56.302 56.100 -0.055 0.000 1.082 50 R CB 0.641 30.890 30.300 -0.085 0.000 1.246 50 R HN -0.007 nan 8.270 nan 0.000 0.553 51 G N 1.687 110.505 108.800 0.030 0.000 2.321 51 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.287 51 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.287 51 G C 0.378 175.334 174.900 0.092 0.000 1.018 51 G CA 0.512 45.646 45.100 0.056 0.000 0.855 51 G HN 0.500 nan 8.290 nan 0.000 0.507 52 E N -1.186 119.095 120.200 0.134 0.000 2.474 52 E HA 0.168 4.517 4.350 -0.002 0.000 0.195 52 E C 0.787 177.555 176.600 0.280 0.000 1.039 52 E CA 0.056 56.572 56.400 0.193 0.000 0.881 52 E CB 0.602 30.433 29.700 0.218 0.000 0.970 52 E HN 0.371 nan 8.360 nan 0.000 0.486 53 V N 2.274 122.347 119.914 0.266 0.000 2.169 53 V HA 0.122 4.241 4.120 -0.002 0.000 0.271 53 V C 0.205 176.502 176.094 0.339 0.000 1.372 53 V CA -0.220 62.281 62.300 0.336 0.000 1.348 53 V CB -0.149 31.819 31.823 0.242 0.000 1.379 53 V HN 0.135 nan 8.190 nan 0.000 0.491 54 T N -2.384 112.320 114.554 0.250 0.000 2.907 54 T HA 0.519 4.868 4.350 -0.002 0.000 0.292 54 T C 0.506 174.984 174.700 -0.370 0.000 1.043 54 T CA -0.539 61.569 62.100 0.013 0.000 1.003 54 T CB 2.053 70.916 68.868 -0.008 0.000 1.084 54 T HN 0.076 nan 8.240 nan 0.000 0.483 55 F N 1.804 121.013 119.950 -1.235 0.000 2.065 55 F HA -0.078 4.447 4.527 -0.002 0.000 0.298 55 F C 2.108 177.604 175.800 -0.507 0.000 1.112 55 F CA 2.029 59.245 58.000 -1.307 0.000 1.212 55 F CB -0.310 38.001 39.000 -1.147 0.000 0.975 55 F HN 0.742 nan 8.300 nan 0.000 0.476 56 E N 0.487 120.558 120.200 -0.214 0.000 2.058 56 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 56 E C 2.155 178.678 176.600 -0.129 0.000 0.997 56 E CA 1.447 57.770 56.400 -0.129 0.000 0.801 56 E CB -0.289 29.405 29.700 -0.010 0.000 0.746 56 E HN 0.196 nan 8.360 nan 0.000 0.450 57 K N 0.106 120.460 120.400 -0.077 0.000 2.097 57 K HA -0.051 4.268 4.320 -0.002 0.000 0.206 57 K C 2.117 178.719 176.600 0.003 0.000 1.049 57 K CA 0.966 57.256 56.287 0.004 0.000 0.933 57 K CB -0.135 32.410 32.500 0.076 0.000 0.717 57 K HN 0.245 nan 8.250 nan 0.000 0.442 58 I N -0.820 119.713 120.570 -0.061 0.000 2.429 58 I HA -0.168 4.001 4.170 -0.002 0.000 0.247 58 I C 2.171 178.155 176.117 -0.221 0.000 1.099 58 I CA 0.365 61.596 61.300 -0.115 0.000 1.422 58 I CB -0.271 37.689 38.000 -0.067 0.000 1.112 58 I HN -0.070 nan 8.210 nan 0.000 0.430 59 F N 2.399 121.995 119.950 -0.590 0.000 2.161 59 F HA -0.257 4.269 4.527 -0.002 0.000 0.300 59 F C 2.606 178.209 175.800 -0.329 0.000 1.089 59 F CA 1.713 59.306 58.000 -0.679 0.000 1.282 59 F CB -0.159 37.997 39.000 -1.406 0.000 1.010 59 F HN 0.066 nan 8.300 nan 0.000 0.485 60 S N -0.455 115.144 115.700 -0.169 0.000 2.754 60 S HA 0.135 4.603 4.470 -0.002 0.000 0.223 60 S C 0.195 174.730 174.600 -0.110 0.000 0.951 60 S CA -0.449 57.670 58.200 -0.135 0.000 0.954 60 S CB -0.636 62.541 63.200 -0.038 0.000 0.780 60 S HN 0.510 nan 8.310 nan 0.000 0.509 61 Q N 0.294 120.029 119.800 -0.108 0.000 2.342 61 Q HA 0.440 4.779 4.340 -0.002 0.000 0.267 61 Q C 0.309 176.276 176.000 -0.055 0.000 1.038 61 Q CA -0.860 54.925 55.803 -0.031 0.000 0.832 61 Q CB 1.840 30.628 28.738 0.083 0.000 1.323 61 Q HN 0.100 nan 8.270 nan 0.000 0.448 62 K N 1.802 122.165 120.400 -0.062 0.000 2.009 62 K HA -0.134 4.184 4.320 -0.002 0.000 0.210 62 K C 1.461 177.985 176.600 -0.126 0.000 1.049 62 K CA 1.787 58.012 56.287 -0.103 0.000 0.929 62 K CB -0.140 32.271 32.500 -0.149 0.000 0.714 62 K HN 0.645 nan 8.250 nan 0.000 0.440 63 L N -0.683 120.436 121.223 -0.174 0.000 2.109 63 L HA 0.024 4.363 4.340 -0.002 0.000 0.207 63 L C 2.447 179.338 176.870 0.035 0.000 1.086 63 L CA 1.109 55.790 54.840 -0.265 0.000 0.760 63 L CB -0.848 41.033 42.059 -0.297 0.000 0.910 63 L HN 0.436 nan 8.230 nan 0.000 0.437 64 G N -0.474 108.380 108.800 0.089 0.000 2.480 64 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.216 64 G HA3 -0.381 3.578 3.960 -0.002 0.000 0.216 64 G C 1.491 176.336 174.900 -0.092 0.000 1.200 64 G CA 1.042 46.060 45.100 -0.137 0.000 0.782 64 G HN 0.314 nan 8.290 nan 0.000 0.554 65 Y N 1.154 121.310 120.300 -0.240 0.000 2.081 65 Y HA -0.127 4.422 4.550 -0.002 0.000 0.280 65 Y C 2.671 178.526 175.900 -0.075 0.000 1.163 65 Y CA 1.742 59.662 58.100 -0.300 0.000 1.135 65 Y CB -0.440 37.754 38.460 -0.443 0.000 0.970 65 Y HN 0.130 nan 8.280 nan 0.000 0.498 66 L N -0.707 120.474 121.223 -0.071 0.000 2.046 66 L HA -0.266 4.072 4.340 -0.002 0.000 0.208 66 L C 2.451 179.359 176.870 0.063 0.000 1.077 66 L CA 1.459 56.282 54.840 -0.028 0.000 0.747 66 L CB -0.590 41.506 42.059 0.061 0.000 0.896 66 L HN 0.281 nan 8.230 nan 0.000 0.432 67 L N -1.826 119.508 121.223 0.185 0.000 2.093 67 L HA -0.218 4.121 4.340 -0.002 0.000 0.208 67 L C 2.409 179.416 176.870 0.229 0.000 1.085 67 L CA 1.114 56.143 54.840 0.315 0.000 0.755 67 L CB -0.502 41.852 42.059 0.491 0.000 0.904 67 L HN 0.141 nan 8.230 nan 0.000 0.435 68 F N 1.451 121.286 119.950 -0.191 0.000 2.075 68 F HA -0.262 4.264 4.527 -0.002 0.000 0.297 68 F C 2.881 178.572 175.800 -0.181 0.000 1.113 68 F CA 1.812 59.523 58.000 -0.483 0.000 1.218 68 F CB -0.083 38.565 39.000 -0.586 0.000 0.984 68 F HN -0.017 nan 8.300 nan 0.000 0.472 69 R N 0.102 120.463 120.500 -0.232 0.000 2.115 69 R HA -0.175 4.164 4.340 -0.002 0.000 0.230 69 R C 1.985 178.211 176.300 -0.122 0.000 1.111 69 R CA 1.657 57.613 56.100 -0.241 0.000 0.976 69 R CB -1.282 28.808 30.300 -0.351 0.000 0.870 69 R HN 0.308 nan 8.270 nan 0.000 0.445 70 D N 0.446 120.833 120.400 -0.022 0.000 2.104 70 D HA -0.217 4.422 4.640 -0.002 0.000 0.194 70 D C 1.568 177.938 176.300 0.118 0.000 0.994 70 D CA 1.253 55.293 54.000 0.066 0.000 0.830 70 D CB -0.117 40.782 40.800 0.166 0.000 0.959 70 D HN 0.269 nan 8.370 nan 0.000 0.452 71 F N 1.400 121.369 119.950 0.031 0.000 2.075 71 F HA -0.222 4.304 4.527 -0.002 0.000 0.297 71 F C 2.584 178.362 175.800 -0.037 0.000 1.113 71 F CA 1.518 59.580 58.000 0.104 0.000 1.218 71 F CB -0.699 38.361 39.000 0.101 0.000 0.984 71 F HN 0.091 nan 8.300 nan 0.000 0.472 72 C N 0.680 119.782 119.300 -0.329 0.000 2.429 72 C HA -0.112 4.347 4.460 -0.002 0.000 0.277 72 C C 2.859 177.685 174.990 -0.273 0.000 1.262 72 C CA 0.905 59.690 59.018 -0.388 0.000 1.733 72 C CB -1.482 26.072 27.740 -0.309 0.000 2.010 72 C HN 0.519 nan 8.230 nan 0.000 0.483 73 L N 1.211 122.318 121.223 -0.194 0.000 2.072 73 L HA -0.068 4.271 4.340 -0.002 0.000 0.205 73 L C 2.004 178.749 176.870 -0.207 0.000 1.079 73 L CA 1.374 56.126 54.840 -0.146 0.000 0.752 73 L CB -0.528 41.480 42.059 -0.086 0.000 0.906 73 L HN 0.431 nan 8.230 nan 0.000 0.436 74 N N -2.121 116.394 118.700 -0.309 0.000 2.282 74 N HA 0.004 4.743 4.740 -0.002 0.000 0.185 74 N C 0.968 176.053 175.510 -0.709 0.000 1.099 74 N CA 0.537 53.285 53.050 -0.505 0.000 0.878 74 N CB 0.356 38.463 38.487 -0.634 0.000 0.993 74 N HN 0.380 nan 8.380 nan 0.000 0.481 75 H N -0.823 118.091 119.070 -0.261 0.000 3.398 75 H HA 0.304 4.858 4.556 -0.002 0.000 0.260 75 H C -0.612 174.438 175.328 -0.463 0.000 1.189 75 H CA -0.221 55.640 56.048 -0.313 0.000 1.145 75 H CB 1.493 31.100 29.762 -0.258 0.000 1.599 75 H HN -0.046 nan 8.280 nan 0.000 0.615 76 L N 1.897 122.875 121.223 -0.408 0.000 2.573 76 L HA 0.256 4.595 4.340 -0.002 0.000 0.260 76 L C 0.628 177.373 176.870 -0.209 0.000 0.997 76 L CA -0.241 54.403 54.840 -0.327 0.000 0.890 76 L CB 1.813 43.584 42.059 -0.481 0.000 1.179 76 L HN -0.285 nan 8.230 nan 0.000 0.439 77 E N 0.956 121.072 120.200 -0.140 0.000 2.267 77 E HA -0.201 4.148 4.350 -0.002 0.000 0.197 77 E C 1.400 177.928 176.600 -0.120 0.000 0.998 77 E CA 1.197 57.528 56.400 -0.115 0.000 0.830 77 E CB 0.273 29.921 29.700 -0.086 0.000 0.751 77 E HN 0.746 nan 8.360 nan 0.000 0.491 78 E N -0.745 119.387 120.200 -0.114 0.000 2.107 78 E HA -0.065 4.284 4.350 -0.002 0.000 0.191 78 E C 1.629 178.139 176.600 -0.149 0.000 0.982 78 E CA 0.805 57.118 56.400 -0.145 0.000 0.809 78 E CB 0.020 29.684 29.700 -0.061 0.000 0.756 78 E HN 0.231 nan 8.360 nan 0.000 0.459 79 A N 0.858 123.618 122.820 -0.100 0.000 2.123 79 A HA -0.029 4.290 4.320 -0.002 0.000 0.214 79 A C 1.976 179.524 177.584 -0.060 0.000 1.152 79 A CA 0.374 52.374 52.037 -0.061 0.000 0.728 79 A CB -0.240 18.720 19.000 -0.067 0.000 0.814 79 A HN 0.102 nan 8.150 nan 0.000 0.464 80 R N 0.413 120.861 120.500 -0.087 0.000 2.088 80 R HA -0.107 4.232 4.340 -0.002 0.000 0.232 80 R C -0.726 175.584 176.300 0.016 0.000 1.136 80 R CA 2.015 58.086 56.100 -0.049 0.000 0.926 80 R CB -1.021 29.242 30.300 -0.063 0.000 0.837 80 R HN 0.391 nan 8.270 nan 0.000 0.429 81 P HA -0.170 nan 4.420 nan 0.000 0.218 81 P C 1.400 178.753 177.300 0.088 0.000 1.148 81 P CA 1.369 64.519 63.100 0.084 0.000 0.822 81 P CB -0.158 31.552 31.700 0.018 0.000 0.784 82 L N -0.714 120.539 121.223 0.051 0.000 1.989 82 L HA -0.151 4.188 4.340 -0.002 0.000 0.211 82 L C 2.709 179.721 176.870 0.235 0.000 1.071 82 L CA 1.585 56.504 54.840 0.131 0.000 0.749 82 L CB -1.322 40.794 42.059 0.095 0.000 0.890 82 L HN -0.137 nan 8.230 nan 0.000 0.431 83 V N -0.313 119.715 119.914 0.190 0.000 2.427 83 V HA -0.231 3.888 4.120 -0.002 0.000 0.248 83 V C 2.360 178.590 176.094 0.227 0.000 1.051 83 V CA 1.564 64.011 62.300 0.247 0.000 1.048 83 V CB -0.512 31.408 31.823 0.163 0.000 0.666 83 V HN 0.436 nan 8.190 nan 0.000 0.456 84 E N -0.505 119.776 120.200 0.135 0.000 2.070 84 E HA -0.273 4.076 4.350 -0.002 0.000 0.197 84 E C 2.050 178.605 176.600 -0.075 0.000 1.004 84 E CA 1.794 58.229 56.400 0.057 0.000 0.805 84 E CB -0.233 29.536 29.700 0.115 0.000 0.744 84 E HN 0.590 nan 8.360 nan 0.000 0.451 85 F N 0.159 119.963 119.950 -0.245 0.000 2.206 85 F HA -0.162 4.364 4.527 -0.002 0.000 0.298 85 F C 2.131 177.882 175.800 -0.082 0.000 1.090 85 F CA 1.030 58.837 58.000 -0.322 0.000 1.323 85 F CB -0.417 38.464 39.000 -0.197 0.000 1.028 85 F HN 0.016 nan 8.300 nan 0.000 0.492 86 Y N 1.369 121.678 120.300 0.016 0.000 2.081 86 Y HA -0.275 4.274 4.550 -0.002 0.000 0.280 86 Y C 2.388 178.261 175.900 -0.046 0.000 1.163 86 Y CA 2.470 60.588 58.100 0.029 0.000 1.135 86 Y CB -0.596 38.009 38.460 0.241 0.000 0.970 86 Y HN 0.140 nan 8.280 nan 0.000 0.498 87 E N -0.501 119.790 120.200 0.152 0.000 2.204 87 E HA -0.230 4.119 4.350 -0.002 0.000 0.194 87 E C 1.979 178.510 176.600 -0.115 0.000 0.989 87 E CA 1.176 57.610 56.400 0.056 0.000 0.824 87 E CB -0.068 29.731 29.700 0.165 0.000 0.756 87 E HN 0.506 nan 8.360 nan 0.000 0.477 88 E N 1.043 121.108 120.200 -0.225 0.000 2.047 88 E HA -0.108 4.241 4.350 -0.002 0.000 0.191 88 E C 1.888 178.269 176.600 -0.366 0.000 0.987 88 E CA 0.732 56.959 56.400 -0.287 0.000 0.799 88 E CB -0.060 29.403 29.700 -0.396 0.000 0.752 88 E HN 0.193 nan 8.360 nan 0.000 0.449 89 I N 0.536 120.759 120.570 -0.579 0.000 2.361 89 I HA -0.262 3.907 4.170 -0.002 0.000 0.251 89 I C 2.028 177.996 176.117 -0.248 0.000 1.133 89 I CA 0.857 61.828 61.300 -0.548 0.000 1.413 89 I CB -0.192 37.434 38.000 -0.623 0.000 1.073 89 I HN 0.029 nan 8.210 nan 0.000 0.424 90 K N 1.139 121.363 120.400 -0.295 0.000 2.097 90 K HA -0.110 4.208 4.320 -0.002 0.000 0.205 90 K C 1.992 178.540 176.600 -0.088 0.000 1.050 90 K CA 1.178 57.338 56.287 -0.212 0.000 0.938 90 K CB -0.226 32.108 32.500 -0.276 0.000 0.718 90 K HN 0.346 nan 8.250 nan 0.000 0.442 91 K N -0.228 120.132 120.400 -0.068 0.000 2.097 91 K HA -0.174 4.144 4.320 -0.002 0.000 0.206 91 K C 2.155 178.764 176.600 0.016 0.000 1.049 91 K CA 1.339 57.612 56.287 -0.024 0.000 0.933 91 K CB -0.305 32.186 32.500 -0.015 0.000 0.717 91 K HN 0.142 nan 8.250 nan 0.000 0.442 92 Y N 2.289 122.536 120.300 -0.089 0.000 2.224 92 Y HA -0.207 4.342 4.550 -0.002 0.000 0.289 92 Y C 1.780 177.682 175.900 0.003 0.000 1.146 92 Y CA 1.518 59.602 58.100 -0.027 0.000 1.182 92 Y CB 0.072 38.518 38.460 -0.023 0.000 0.983 92 Y HN 0.082 nan 8.280 nan 0.000 0.524 93 E N 0.246 120.513 120.200 0.112 0.000 2.160 93 E HA -0.215 4.134 4.350 -0.002 0.000 0.195 93 E C 1.664 178.218 176.600 -0.076 0.000 0.991 93 E CA 1.399 57.813 56.400 0.024 0.000 0.810 93 E CB -0.122 29.603 29.700 0.042 0.000 0.742 93 E HN 0.551 nan 8.360 nan 0.000 0.466 94 K N 0.359 120.716 120.400 -0.072 0.000 2.444 94 K HA 0.107 4.425 4.320 -0.002 0.000 0.193 94 K C 0.357 176.903 176.600 -0.091 0.000 1.024 94 K CA -0.052 56.196 56.287 -0.065 0.000 1.077 94 K CB 0.214 32.686 32.500 -0.046 0.000 0.833 94 K HN 0.061 nan 8.250 nan 0.000 0.517 95 L N 1.761 122.893 121.223 -0.152 0.000 2.410 95 L HA -0.001 4.338 4.340 -0.002 0.000 0.273 95 L C 1.442 178.236 176.870 -0.126 0.000 1.152 95 L CA -0.048 54.704 54.840 -0.147 0.000 0.855 95 L CB 0.689 42.623 42.059 -0.208 0.000 1.129 95 L HN 0.184 nan 8.230 nan 0.000 0.463 96 E N 1.247 121.394 120.200 -0.089 0.000 2.012 96 E HA -0.143 4.206 4.350 -0.002 0.000 0.197 96 E C 0.416 176.973 176.600 -0.072 0.000 1.007 96 E CA 1.800 58.156 56.400 -0.075 0.000 0.816 96 E CB 0.066 29.726 29.700 -0.067 0.000 0.762 96 E HN 0.802 nan 8.360 nan 0.000 0.451 97 T N -2.469 112.045 114.554 -0.067 0.000 2.926 97 T HA 0.266 4.615 4.350 -0.002 0.000 0.289 97 T C 0.635 175.302 174.700 -0.054 0.000 1.054 97 T CA -0.872 61.197 62.100 -0.051 0.000 1.015 97 T CB 1.865 70.713 68.868 -0.033 0.000 1.167 97 T HN -0.078 nan 8.240 nan 0.000 0.526 98 E N 0.293 120.470 120.200 -0.039 0.000 2.118 98 E HA -0.166 4.183 4.350 -0.002 0.000 0.195 98 E C 1.811 178.400 176.600 -0.018 0.000 0.992 98 E CA 1.364 57.745 56.400 -0.033 0.000 0.804 98 E CB 0.056 29.741 29.700 -0.024 0.000 0.741 98 E HN 0.686 nan 8.360 nan 0.000 0.458 99 E N 0.539 120.732 120.200 -0.012 0.000 2.216 99 E HA -0.126 4.223 4.350 -0.002 0.000 0.192 99 E C 1.802 178.406 176.600 0.008 0.000 0.988 99 E CA 0.474 56.874 56.400 0.001 0.000 0.834 99 E CB 0.015 29.715 29.700 0.001 0.000 0.772 99 E HN 0.371 nan 8.360 nan 0.000 0.479 100 E N 0.872 121.068 120.200 -0.007 0.000 2.150 100 E HA -0.120 4.228 4.350 -0.002 0.000 0.193 100 E C 2.088 178.696 176.600 0.013 0.000 0.985 100 E CA 0.586 56.984 56.400 -0.003 0.000 0.814 100 E CB 0.033 29.716 29.700 -0.029 0.000 0.752 100 E HN 0.131 nan 8.360 nan 0.000 0.466 101 R N 0.309 120.805 120.500 -0.008 0.000 2.062 101 R HA -0.052 4.286 4.340 -0.002 0.000 0.226 101 R C 2.475 178.880 176.300 0.175 0.000 1.125 101 R CA 0.746 56.869 56.100 0.038 0.000 0.966 101 R CB -0.333 29.928 30.300 -0.065 0.000 0.861 101 R HN -0.022 nan 8.270 nan 0.000 0.433 102 V N 1.469 121.443 119.914 0.102 0.000 2.324 102 V HA -0.324 3.795 4.120 -0.002 0.000 0.250 102 V C 2.386 178.550 176.094 0.117 0.000 1.060 102 V CA 2.058 64.417 62.300 0.098 0.000 1.042 102 V CB -0.887 30.966 31.823 0.050 0.000 0.650 102 V HN 0.448 nan 8.190 nan 0.000 0.450 103 A N 0.055 122.936 122.820 0.102 0.000 1.834 103 A HA -0.239 4.080 4.320 -0.002 0.000 0.216 103 A C 2.386 180.062 177.584 0.153 0.000 1.203 103 A CA 1.952 54.052 52.037 0.105 0.000 0.621 103 A CB -0.623 18.424 19.000 0.077 0.000 0.841 103 A HN 0.412 nan 8.150 nan 0.000 0.446 104 R N -0.392 120.222 120.500 0.191 0.000 2.120 104 R HA -0.103 4.236 4.340 -0.002 0.000 0.234 104 R C 2.616 179.112 176.300 0.326 0.000 1.123 104 R CA 1.305 57.557 56.100 0.254 0.000 0.975 104 R CB -0.744 29.742 30.300 0.310 0.000 0.866 104 R HN 0.621 nan 8.270 nan 0.000 0.446 105 S N 0.704 116.637 115.700 0.390 0.000 2.351 105 S HA -0.203 4.266 4.470 -0.002 0.000 0.220 105 S C 2.040 176.835 174.600 0.326 0.000 1.035 105 S CA 1.484 59.914 58.200 0.383 0.000 1.031 105 S CB -0.054 63.311 63.200 0.275 0.000 0.928 105 S HN 0.323 nan 8.310 nan 0.000 0.433 106 R N 0.514 121.153 120.500 0.232 0.000 2.075 106 R HA -0.040 4.298 4.340 -0.002 0.000 0.232 106 R C 2.406 178.852 176.300 0.243 0.000 1.126 106 R CA 1.715 57.949 56.100 0.224 0.000 0.963 106 R CB -0.429 29.959 30.300 0.148 0.000 0.858 106 R HN 0.597 nan 8.270 nan 0.000 0.435 107 E N 0.261 120.582 120.200 0.201 0.000 2.114 107 E HA -0.237 4.111 4.350 -0.002 0.000 0.199 107 E C 1.815 178.535 176.600 0.200 0.000 1.008 107 E CA 1.768 58.273 56.400 0.174 0.000 0.810 107 E CB -0.069 29.720 29.700 0.149 0.000 0.739 107 E HN 0.425 nan 8.360 nan 0.000 0.456 108 I N -0.401 120.307 120.570 0.229 0.000 2.233 108 I HA -0.200 3.969 4.170 -0.002 0.000 0.243 108 I C 2.052 178.362 176.117 0.322 0.000 1.093 108 I CA 0.682 62.115 61.300 0.222 0.000 1.380 108 I CB -0.173 37.847 38.000 0.033 0.000 1.067 108 I HN 0.157 nan 8.210 nan 0.000 0.413 109 F N 1.381 121.476 119.950 0.242 0.000 2.365 109 F HA -0.230 4.296 4.527 -0.002 0.000 0.300 109 F C 2.085 177.983 175.800 0.162 0.000 1.090 109 F CA 1.378 59.522 58.000 0.239 0.000 1.408 109 F CB -0.182 38.958 39.000 0.234 0.000 1.060 109 F HN 0.105 nan 8.300 nan 0.000 0.534 110 D N -0.977 119.553 120.400 0.217 0.000 2.103 110 D HA -0.135 4.503 4.640 -0.002 0.000 0.199 110 D C 2.255 178.561 176.300 0.010 0.000 0.978 110 D CA 1.334 55.398 54.000 0.106 0.000 0.829 110 D CB 0.040 40.918 40.800 0.129 0.000 0.981 110 D HN 0.352 nan 8.370 nan 0.000 0.464 111 S N -1.304 114.424 115.700 0.048 0.000 2.289 111 S HA -0.068 4.401 4.470 -0.002 0.000 0.193 111 S C 2.100 176.660 174.600 -0.067 0.000 1.002 111 S CA 0.348 58.540 58.200 -0.013 0.000 0.951 111 S CB -0.807 62.400 63.200 0.011 0.000 0.920 111 S HN 0.185 nan 8.310 nan 0.000 0.502 112 Y N 1.742 122.016 120.300 -0.043 0.000 2.165 112 Y HA -0.057 4.492 4.550 -0.002 0.000 0.286 112 Y C 2.438 178.167 175.900 -0.285 0.000 1.155 112 Y CA 1.316 59.341 58.100 -0.125 0.000 1.164 112 Y CB -0.290 38.145 38.460 -0.042 0.000 0.978 112 Y HN 0.285 nan 8.280 nan 0.000 0.513 113 I N -0.236 120.237 120.570 -0.161 0.000 2.248 113 I HA -0.342 3.826 4.170 -0.002 0.000 0.248 113 I C 1.897 177.843 176.117 -0.284 0.000 1.107 113 I CA 1.740 62.830 61.300 -0.350 0.000 1.373 113 I CB -0.759 36.905 38.000 -0.560 0.000 1.055 113 I HN 0.372 nan 8.210 nan 0.000 0.418 114 M N -0.303 119.159 119.600 -0.230 0.000 2.595 114 M HA -0.100 4.378 4.480 -0.002 0.000 0.248 114 M C 2.013 178.232 176.300 -0.134 0.000 1.119 114 M CA 0.744 55.945 55.300 -0.166 0.000 1.079 114 M CB -0.620 31.901 32.600 -0.131 0.000 1.472 114 M HN 0.260 nan 8.290 nan 0.000 0.501 115 K N 0.683 120.994 120.400 -0.148 0.000 2.166 115 K HA -0.056 4.263 4.320 -0.002 0.000 0.201 115 K C 1.521 178.033 176.600 -0.146 0.000 1.052 115 K CA 0.793 56.998 56.287 -0.136 0.000 0.969 115 K CB 0.377 32.793 32.500 -0.140 0.000 0.761 115 K HN 0.131 nan 8.250 nan 0.000 0.459 116 E N 0.948 121.034 120.200 -0.190 0.000 2.158 116 E HA -0.081 4.268 4.350 -0.002 0.000 0.191 116 E C 2.054 178.547 176.600 -0.178 0.000 0.982 116 E CA 0.662 56.920 56.400 -0.237 0.000 0.823 116 E CB 0.096 29.580 29.700 -0.359 0.000 0.766 116 E HN 0.361 nan 8.360 nan 0.000 0.468 117 L N 0.352 121.502 121.223 -0.121 0.000 2.240 117 L HA -0.041 4.298 4.340 -0.002 0.000 0.211 117 L C 2.261 179.101 176.870 -0.050 0.000 1.106 117 L CA 0.496 55.302 54.840 -0.056 0.000 0.793 117 L CB -0.155 41.883 42.059 -0.034 0.000 0.927 117 L HN 0.046 nan 8.230 nan 0.000 0.446 118 L N -0.655 120.528 121.223 -0.066 0.000 2.509 118 L HA 0.154 4.492 4.340 -0.002 0.000 0.222 118 L C 1.531 178.371 176.870 -0.049 0.000 1.123 118 L CA -0.428 54.382 54.840 -0.050 0.000 0.856 118 L CB -0.326 41.701 42.059 -0.054 0.000 0.985 118 L HN 0.137 nan 8.230 nan 0.000 0.456 123 P HA 0.302 nan 4.420 nan 0.000 0.280 123 P C 0.035 177.237 177.300 -0.164 0.000 1.272 123 P CA -0.371 62.662 63.100 -0.112 0.000 0.819 123 P CB 1.368 33.056 31.700 -0.020 0.000 1.122 124 F N -0.273 119.688 119.950 0.019 0.000 2.380 124 F HA 0.242 4.768 4.527 -0.002 0.000 0.321 124 F C 1.644 177.510 175.800 0.109 0.000 1.103 124 F CA -0.226 57.827 58.000 0.087 0.000 1.067 124 F CB 0.921 40.002 39.000 0.135 0.000 1.265 124 F HN 0.258 nan 8.300 nan 0.000 0.517 125 S N 0.796 116.729 115.700 0.387 0.000 2.592 125 S HA 0.225 4.694 4.470 -0.002 0.000 0.271 125 S C 0.681 175.404 174.600 0.205 0.000 1.326 125 S CA -0.767 57.567 58.200 0.223 0.000 1.024 125 S CB 1.392 64.696 63.200 0.172 0.000 0.921 125 S HN 0.701 nan 8.310 nan 0.000 0.527 126 K N 1.466 121.947 120.400 0.135 0.000 2.002 126 K HA -0.107 4.212 4.320 -0.002 0.000 0.209 126 K C 2.490 179.142 176.600 0.086 0.000 1.048 126 K CA 1.465 57.817 56.287 0.108 0.000 0.930 126 K CB -0.739 31.805 32.500 0.074 0.000 0.714 126 K HN 0.638 nan 8.250 nan 0.000 0.438 127 S N 0.480 116.220 115.700 0.067 0.000 2.381 127 S HA -0.290 4.179 4.470 -0.002 0.000 0.230 127 S C 1.992 176.607 174.600 0.025 0.000 1.052 127 S CA 1.718 59.941 58.200 0.038 0.000 1.068 127 S CB -0.285 62.934 63.200 0.032 0.000 0.918 127 S HN 0.441 nan 8.310 nan 0.000 0.448 128 A N -0.108 122.745 122.820 0.054 0.000 1.872 128 A HA 0.005 4.324 4.320 -0.002 0.000 0.214 128 A C 2.349 179.881 177.584 -0.088 0.000 1.187 128 A CA 1.938 53.968 52.037 -0.012 0.000 0.614 128 A CB -1.325 17.725 19.000 0.084 0.000 0.826 128 A HN 0.585 nan 8.150 nan 0.000 0.442 129 T N -0.306 114.287 114.554 0.065 0.000 2.915 129 T HA -0.109 4.240 4.350 -0.002 0.000 0.269 129 T C 1.712 176.415 174.700 0.004 0.000 1.071 129 T CA 1.409 63.571 62.100 0.102 0.000 1.132 129 T CB -0.150 68.877 68.868 0.266 0.000 0.878 129 T HN 0.646 nan 8.240 nan 0.000 0.479 130 E N 0.402 120.601 120.200 -0.001 0.000 2.023 130 E HA -0.239 4.110 4.350 -0.002 0.000 0.196 130 E C 2.086 178.624 176.600 -0.102 0.000 1.003 130 E CA 1.434 57.816 56.400 -0.031 0.000 0.809 130 E CB -0.103 29.593 29.700 -0.007 0.000 0.755 130 E HN 0.648 nan 8.360 nan 0.000 0.449 131 H N -0.388 118.549 119.070 -0.222 0.000 2.321 131 H HA -0.098 4.457 4.556 -0.002 0.000 0.300 131 H C 1.959 176.993 175.328 -0.489 0.000 1.087 131 H CA 1.992 57.823 56.048 -0.360 0.000 1.319 131 H CB -0.228 29.331 29.762 -0.338 0.000 1.379 131 H HN 0.025 nan 8.280 nan 0.000 0.501 132 V N 0.569 120.250 119.914 -0.388 0.000 2.255 132 V HA -0.295 3.823 4.120 -0.002 0.000 0.247 132 V C 2.475 178.326 176.094 -0.405 0.000 1.051 132 V CA 2.386 64.410 62.300 -0.461 0.000 1.018 132 V CB -0.633 30.910 31.823 -0.467 0.000 0.641 132 V HN 0.518 nan 8.190 nan 0.000 0.445 133 Q N -0.443 119.179 119.800 -0.298 0.000 2.230 133 Q HA -0.078 4.260 4.340 -0.002 0.000 0.202 133 Q C 2.199 178.047 176.000 -0.253 0.000 0.963 133 Q CA 1.309 56.936 55.803 -0.293 0.000 0.866 133 Q CB -0.312 28.313 28.738 -0.188 0.000 0.931 133 Q HN 0.708 nan 8.270 nan 0.000 0.452 134 G N -0.386 108.246 108.800 -0.280 0.000 2.421 134 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.216 134 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.216 134 G C 0.956 175.755 174.900 -0.169 0.000 1.171 134 G CA 0.869 45.828 45.100 -0.234 0.000 0.775 134 G HN 0.362 nan 8.290 nan 0.000 0.543 135 H N 0.116 118.983 119.070 -0.339 0.000 2.321 135 H HA 0.078 4.633 4.556 -0.002 0.000 0.300 135 H C 2.659 177.846 175.328 -0.235 0.000 1.087 135 H CA 0.775 56.644 56.048 -0.299 0.000 1.319 135 H CB -0.723 28.814 29.762 -0.375 0.000 1.379 135 H HN 0.232 nan 8.280 nan 0.000 0.501 136 L N -0.093 121.044 121.223 -0.142 0.000 2.012 136 L HA -0.132 4.207 4.340 -0.002 0.000 0.210 136 L C 2.639 179.431 176.870 -0.131 0.000 1.073 136 L CA 1.394 56.132 54.840 -0.171 0.000 0.748 136 L CB -0.716 41.166 42.059 -0.296 0.000 0.891 136 L HN 0.379 nan 8.230 nan 0.000 0.431 137 G N -0.512 108.207 108.800 -0.136 0.000 2.469 137 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.220 137 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.220 137 G C 1.565 176.428 174.900 -0.063 0.000 1.136 137 G CA 0.749 45.792 45.100 -0.094 0.000 0.759 137 G HN 0.355 nan 8.290 nan 0.000 0.562 138 K N 0.031 120.396 120.400 -0.059 0.000 2.459 138 K HA 0.137 4.456 4.320 -0.002 0.000 0.193 138 K C 0.770 177.344 176.600 -0.045 0.000 1.030 138 K CA 0.277 56.537 56.287 -0.045 0.000 1.026 138 K CB 0.152 32.627 32.500 -0.041 0.000 0.809 138 K HN 0.226 nan 8.250 nan 0.000 0.504 139 K N 0.762 121.134 120.400 -0.048 0.000 3.446 139 K HA -0.213 4.105 4.320 -0.002 0.000 0.312 139 K C -0.377 176.197 176.600 -0.043 0.000 1.329 139 K CA 0.884 57.150 56.287 -0.036 0.000 0.935 139 K CB -1.696 30.791 32.500 -0.022 0.000 1.281 139 K HN 0.469 nan 8.250 nan 0.000 0.457 140 Q N 0.724 120.481 119.800 -0.071 0.000 2.256 140 Q HA 0.438 4.776 4.340 -0.002 0.000 0.254 140 Q C -0.020 175.912 176.000 -0.113 0.000 0.916 140 Q CA -0.564 55.176 55.803 -0.105 0.000 0.932 140 Q CB 1.676 30.315 28.738 -0.164 0.000 1.207 140 Q HN 0.179 nan 8.270 nan 0.000 0.426 141 V N 0.050 119.921 119.914 -0.072 0.000 2.465 141 V HA 0.459 4.577 4.120 -0.002 0.000 0.263 141 V C -2.763 173.341 176.094 0.016 0.000 0.981 141 V CA -1.892 60.409 62.300 0.002 0.000 0.838 141 V CB 0.367 32.247 31.823 0.095 0.000 1.068 141 V HN 0.722 nan 8.190 nan 0.000 0.458 142 P HA 0.461 nan 4.420 nan 0.000 0.279 142 P C -2.078 175.297 177.300 0.125 0.000 1.276 142 P CA -1.806 61.296 63.100 0.003 0.000 0.801 142 P CB 0.795 32.468 31.700 -0.046 0.000 1.127 143 P HA -0.144 nan 4.420 nan 0.000 0.219 143 P C 0.849 178.301 177.300 0.253 0.000 1.150 143 P CA 1.369 64.580 63.100 0.184 0.000 0.814 143 P CB -0.019 31.711 31.700 0.051 0.000 0.787 144 D N 0.089 120.572 120.400 0.139 0.000 2.190 144 D HA -0.155 4.483 4.640 -0.002 0.000 0.200 144 D C 2.043 178.409 176.300 0.109 0.000 0.992 144 D CA 0.695 54.767 54.000 0.120 0.000 0.854 144 D CB -0.575 40.290 40.800 0.108 0.000 0.936 144 D HN 0.001 nan 8.370 nan 0.000 0.462 145 L N 0.489 121.749 121.223 0.061 0.000 2.143 145 L HA -0.289 4.049 4.340 -0.002 0.000 0.231 145 L C 1.621 178.246 176.870 -0.409 0.000 1.106 145 L CA 1.912 56.629 54.840 -0.205 0.000 0.827 145 L CB -0.945 40.819 42.059 -0.491 0.000 0.915 145 L HN -0.008 nan 8.230 nan 0.000 0.448 146 F N -1.831 118.079 119.950 -0.066 0.000 2.695 146 F HA 0.156 4.682 4.527 -0.002 0.000 0.303 146 F C 2.223 177.984 175.800 -0.065 0.000 1.091 146 F CA 0.484 58.416 58.000 -0.115 0.000 1.300 146 F CB -0.423 38.489 39.000 -0.147 0.000 1.071 146 F HN 0.171 nan 8.300 nan 0.000 0.578 147 Q N 1.877 121.741 119.800 0.106 0.000 2.173 147 Q HA -0.166 4.173 4.340 -0.002 0.000 0.208 147 Q C -0.889 175.143 176.000 0.054 0.000 0.989 147 Q CA 2.168 58.021 55.803 0.084 0.000 0.872 147 Q CB -1.458 27.312 28.738 0.054 0.000 0.909 147 Q HN 0.156 nan 8.270 nan 0.000 0.420 148 P HA -0.176 nan 4.420 nan 0.000 0.216 148 P C 0.602 177.947 177.300 0.075 0.000 1.153 148 P CA 1.454 64.516 63.100 -0.064 0.000 0.858 148 P CB -0.262 31.303 31.700 -0.225 0.000 0.789 149 Y N -1.488 118.847 120.300 0.058 0.000 2.293 149 Y HA -0.141 4.408 4.550 -0.002 0.000 0.291 149 Y C 2.340 178.407 175.900 0.279 0.000 1.137 149 Y CA -0.201 57.945 58.100 0.077 0.000 1.202 149 Y CB -0.429 38.019 38.460 -0.021 0.000 0.990 149 Y HN -0.119 nan 8.280 nan 0.000 0.537 150 I N 0.808 121.591 120.570 0.356 0.000 2.127 150 I HA -0.314 3.855 4.170 -0.002 0.000 0.241 150 I C 2.057 178.359 176.117 0.308 0.000 1.075 150 I CA 1.789 63.290 61.300 0.335 0.000 1.334 150 I CB -1.058 37.086 38.000 0.240 0.000 1.040 150 I HN 0.339 nan 8.210 nan 0.000 0.405 151 E N 0.407 120.742 120.200 0.225 0.000 2.085 151 E HA -0.225 4.124 4.350 -0.002 0.000 0.194 151 E C 2.058 178.754 176.600 0.161 0.000 0.994 151 E CA 1.281 57.775 56.400 0.157 0.000 0.801 151 E CB -0.055 29.707 29.700 0.103 0.000 0.743 151 E HN 0.530 nan 8.360 nan 0.000 0.453 152 E N 0.198 120.553 120.200 0.258 0.000 2.208 152 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 152 E C 2.110 178.845 176.600 0.226 0.000 0.988 152 E CA 0.566 57.127 56.400 0.268 0.000 0.828 152 E CB -0.011 29.962 29.700 0.455 0.000 0.763 152 E HN 0.337 nan 8.360 nan 0.000 0.478 153 I N 0.785 121.541 120.570 0.310 0.000 2.202 153 I HA -0.295 3.874 4.170 -0.002 0.000 0.242 153 I C 2.470 178.620 176.117 0.054 0.000 1.091 153 I CA 0.733 62.172 61.300 0.233 0.000 1.368 153 I CB -0.262 37.968 38.000 0.383 0.000 1.058 153 I HN 0.196 nan 8.210 nan 0.000 0.410 154 C N 0.165 119.467 119.300 0.002 0.000 2.413 154 C HA -0.208 4.251 4.460 -0.002 0.000 0.276 154 C C 2.862 177.631 174.990 -0.369 0.000 1.236 154 C CA 1.179 60.039 59.018 -0.264 0.000 1.735 154 C CB -1.069 26.577 27.740 -0.157 0.000 2.031 154 C HN 0.545 nan 8.230 nan 0.000 0.474 155 Q N 1.887 121.582 119.800 -0.175 0.000 2.133 155 Q HA -0.199 4.140 4.340 -0.002 0.000 0.208 155 Q C 1.591 177.492 176.000 -0.166 0.000 0.991 155 Q CA 2.100 57.809 55.803 -0.156 0.000 0.867 155 Q CB -0.585 28.121 28.738 -0.054 0.000 0.911 155 Q HN 0.628 nan 8.270 nan 0.000 0.417 156 N N -0.927 117.706 118.700 -0.111 0.000 2.424 156 N HA 0.061 4.799 4.740 -0.002 0.000 0.178 156 N C 1.291 176.762 175.510 -0.064 0.000 1.060 156 N CA 0.545 53.555 53.050 -0.066 0.000 0.901 156 N CB 0.152 38.640 38.487 0.001 0.000 0.979 156 N HN 0.324 nan 8.380 nan 0.000 0.451 157 L N 0.723 121.838 121.223 -0.180 0.000 2.209 157 L HA 0.066 4.405 4.340 -0.002 0.000 0.207 157 L C 2.143 178.812 176.870 -0.336 0.000 1.094 157 L CA 0.506 55.264 54.840 -0.137 0.000 0.790 157 L CB -0.030 41.963 42.059 -0.110 0.000 0.932 157 L HN 0.156 nan 8.230 nan 0.000 0.447 158 R N 0.024 120.052 120.500 -0.787 0.000 2.317 158 R HA 0.130 4.468 4.340 -0.002 0.000 0.208 158 R C 1.291 177.468 176.300 -0.205 0.000 0.914 158 R CA 0.574 56.163 56.100 -0.853 0.000 1.060 158 R CB -0.132 29.431 30.300 -1.229 0.000 1.015 158 R HN 0.147 nan 8.270 nan 0.000 0.498 159 G N 1.142 109.888 108.800 -0.089 0.000 3.287 159 G HA2 -0.079 3.879 3.960 -0.002 0.000 0.172 159 G HA3 -0.079 3.879 3.960 -0.002 0.000 0.172 159 G C 0.359 175.326 174.900 0.112 0.000 1.922 159 G CA 0.192 45.298 45.100 0.009 0.000 0.952 159 G HN 0.038 nan 8.290 nan 0.000 0.520 160 D N -0.314 120.140 120.400 0.090 0.000 2.104 160 D HA -0.135 4.503 4.640 -0.002 0.000 0.194 160 D C 2.798 179.206 176.300 0.181 0.000 0.994 160 D CA 1.176 55.244 54.000 0.113 0.000 0.830 160 D CB -0.376 40.474 40.800 0.084 0.000 0.959 160 D HN 0.013 nan 8.370 nan 0.000 0.452 161 V N 1.139 121.181 119.914 0.213 0.000 2.317 161 V HA -0.274 3.845 4.120 -0.002 0.000 0.251 161 V C 2.221 178.593 176.094 0.463 0.000 1.065 161 V CA 1.535 64.024 62.300 0.315 0.000 1.049 161 V CB -0.597 31.400 31.823 0.291 0.000 0.651 161 V HN 0.116 nan 8.190 nan 0.000 0.450 162 F N 0.792 120.934 119.950 0.319 0.000 2.113 162 F HA -0.154 4.371 4.527 -0.002 0.000 0.297 162 F C 2.559 178.522 175.800 0.271 0.000 1.103 162 F CA 1.726 59.976 58.000 0.417 0.000 1.248 162 F CB -0.374 38.808 39.000 0.303 0.000 0.999 162 F HN 0.103 nan 8.300 nan 0.000 0.475 163 Q N 0.616 120.484 119.800 0.112 0.000 2.226 163 Q HA -0.165 4.174 4.340 -0.002 0.000 0.204 163 Q C 2.083 178.022 176.000 -0.103 0.000 0.975 163 Q CA 1.293 57.048 55.803 -0.080 0.000 0.866 163 Q CB -0.389 28.364 28.738 0.024 0.000 0.915 163 Q HN 0.510 nan 8.270 nan 0.000 0.440 164 K N -0.395 120.021 120.400 0.027 0.000 2.155 164 K HA -0.071 4.248 4.320 -0.002 0.000 0.203 164 K C 1.824 178.318 176.600 -0.176 0.000 1.052 164 K CA 0.656 56.974 56.287 0.051 0.000 0.948 164 K CB -0.117 32.540 32.500 0.261 0.000 0.728 164 K HN 0.101 nan 8.250 nan 0.000 0.448 165 F N 1.706 121.380 119.950 -0.460 0.000 2.206 165 F HA -0.114 4.412 4.527 -0.002 0.000 0.298 165 F C 1.694 177.138 175.800 -0.593 0.000 1.090 165 F CA 0.894 58.363 58.000 -0.886 0.000 1.323 165 F CB -0.001 38.736 39.000 -0.438 0.000 1.028 165 F HN -0.167 nan 8.300 nan 0.000 0.492 166 I N 1.061 121.114 120.570 -0.861 0.000 2.226 166 I HA -0.246 3.922 4.170 -0.002 0.000 0.245 166 I C 2.248 178.015 176.117 -0.583 0.000 1.100 166 I CA 1.443 62.099 61.300 -1.074 0.000 1.374 166 I CB -1.476 35.906 38.000 -1.030 0.000 1.057 166 I HN 0.297 nan 8.210 nan 0.000 0.413 167 E N 0.797 120.772 120.200 -0.375 0.000 2.153 167 E HA -0.124 4.225 4.350 -0.002 0.000 0.194 167 E C 1.188 177.691 176.600 -0.162 0.000 0.988 167 E CA 0.867 57.152 56.400 -0.190 0.000 0.811 167 E CB -0.061 29.571 29.700 -0.112 0.000 0.746 167 E HN 0.530 nan 8.360 nan 0.000 0.466 168 S N 1.232 116.766 115.700 -0.277 0.000 2.600 168 S HA -0.032 4.437 4.470 -0.002 0.000 0.265 168 S C 0.661 175.180 174.600 -0.136 0.000 1.325 168 S CA -0.090 57.990 58.200 -0.199 0.000 1.002 168 S CB 1.139 64.128 63.200 -0.353 0.000 0.921 168 S HN 0.173 nan 8.310 nan 0.000 0.554 169 D N 0.678 121.048 120.400 -0.051 0.000 2.311 169 D HA -0.131 4.508 4.640 -0.002 0.000 0.212 169 D C 1.406 177.723 176.300 0.028 0.000 0.972 169 D CA 0.831 54.824 54.000 -0.011 0.000 0.887 169 D CB 0.050 40.844 40.800 -0.010 0.000 0.915 169 D HN 0.349 nan 8.370 nan 0.000 0.497 170 K N -0.172 120.255 120.400 0.045 0.000 2.137 170 K HA -0.010 4.308 4.320 -0.002 0.000 0.202 170 K C 1.677 178.370 176.600 0.155 0.000 1.052 170 K CA 0.332 56.738 56.287 0.199 0.000 0.961 170 K CB -0.635 32.122 32.500 0.428 0.000 0.741 170 K HN 0.285 nan 8.250 nan 0.000 0.452 171 F N 2.747 122.452 119.950 -0.409 0.000 2.234 171 F HA -0.157 4.368 4.527 -0.002 0.000 0.299 171 F C 1.902 177.682 175.800 -0.033 0.000 1.087 171 F CA 1.313 59.068 58.000 -0.409 0.000 1.340 171 F CB -0.340 38.159 39.000 -0.836 0.000 1.031 171 F HN -0.059 nan 8.300 nan 0.000 0.500 172 T N 0.230 114.719 114.554 -0.109 0.000 2.720 172 T HA -0.230 4.119 4.350 -0.002 0.000 0.268 172 T C 1.974 176.625 174.700 -0.081 0.000 1.037 172 T CA 1.665 63.691 62.100 -0.124 0.000 1.144 172 T CB -0.291 68.560 68.868 -0.028 0.000 0.864 172 T HN 0.086 nan 8.240 nan 0.000 0.444 173 R N 0.719 121.252 120.500 0.054 0.000 2.090 173 R HA 0.110 4.448 4.340 -0.002 0.000 0.228 173 R C 1.929 178.427 176.300 0.331 0.000 1.110 173 R CA 1.074 57.281 56.100 0.179 0.000 0.973 173 R CB -1.117 29.344 30.300 0.270 0.000 0.869 173 R HN 0.505 nan 8.270 nan 0.000 0.440 174 F N -0.372 119.666 119.950 0.147 0.000 2.126 174 F HA -0.276 4.250 4.527 -0.002 0.000 0.299 174 F C 1.952 177.765 175.800 0.023 0.000 1.096 174 F CA 1.693 59.798 58.000 0.175 0.000 1.255 174 F CB -0.287 38.798 39.000 0.143 0.000 0.997 174 F HN 0.056 nan 8.300 nan 0.000 0.479 175 C N 0.454 119.546 119.300 -0.346 0.000 2.435 175 C HA -0.151 4.307 4.460 -0.002 0.000 0.279 175 C C 2.636 177.462 174.990 -0.273 0.000 1.321 175 C CA 1.054 59.804 59.018 -0.448 0.000 1.752 175 C CB -1.259 26.196 27.740 -0.475 0.000 1.959 175 C HN 0.577 nan 8.230 nan 0.000 0.500 176 Q N -1.041 118.655 119.800 -0.174 0.000 2.050 176 Q HA -0.226 4.113 4.340 -0.002 0.000 0.202 176 Q C 2.001 177.880 176.000 -0.202 0.000 0.980 176 Q CA 1.932 57.617 55.803 -0.198 0.000 0.840 176 Q CB -0.173 28.432 28.738 -0.222 0.000 0.898 176 Q HN 0.805 nan 8.270 nan 0.000 0.424 177 W N 0.532 121.810 121.300 -0.037 0.000 2.418 177 W HA -0.111 4.547 4.660 -0.002 0.000 0.292 177 W C 2.323 178.814 176.519 -0.048 0.000 1.213 177 W CA 0.625 58.016 57.345 0.077 0.000 1.283 177 W CB 0.159 29.757 29.460 0.230 0.000 1.119 177 W HN 0.017 nan 8.180 nan 0.000 0.542 178 K N 0.690 121.036 120.400 -0.091 0.000 2.103 178 K HA -0.150 4.169 4.320 -0.002 0.000 0.204 178 K C 1.800 178.244 176.600 -0.260 0.000 1.052 178 K CA 1.276 57.406 56.287 -0.262 0.000 0.945 178 K CB -0.752 31.417 32.500 -0.551 0.000 0.722 178 K HN 0.003 nan 8.250 nan 0.000 0.443 179 N N 0.144 118.692 118.700 -0.254 0.000 2.037 179 N HA -0.193 4.546 4.740 -0.002 0.000 0.196 179 N C 1.560 176.925 175.510 -0.242 0.000 1.034 179 N CA 2.126 55.023 53.050 -0.256 0.000 0.861 179 N CB -0.051 38.307 38.487 -0.215 0.000 1.039 179 N HN 0.014 nan 8.380 nan 0.000 0.427 180 V N 1.525 121.328 119.914 -0.184 0.000 2.255 180 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 180 V C 2.486 178.360 176.094 -0.366 0.000 1.051 180 V CA 2.077 64.272 62.300 -0.174 0.000 1.018 180 V CB -0.865 30.969 31.823 0.018 0.000 0.641 180 V HN 0.428 nan 8.190 nan 0.000 0.445 181 E N 0.042 119.905 120.200 -0.562 0.000 2.114 181 E HA -0.253 4.095 4.350 -0.002 0.000 0.199 181 E C 1.739 177.987 176.600 -0.587 0.000 1.008 181 E CA 1.592 57.407 56.400 -0.974 0.000 0.810 181 E CB -0.137 29.087 29.700 -0.792 0.000 0.739 181 E HN 0.594 nan 8.360 nan 0.000 0.456 182 L N 0.758 121.738 121.223 -0.407 0.000 2.645 182 L HA 0.098 4.436 4.340 -0.002 0.000 0.234 182 L C 1.082 177.763 176.870 -0.315 0.000 1.165 182 L CA -0.072 54.577 54.840 -0.319 0.000 0.944 182 L CB 0.133 42.010 42.059 -0.305 0.000 1.149 182 L HN 0.012 nan 8.230 nan 0.000 0.446 183 N N 0.182 118.667 118.700 -0.358 0.000 2.291 183 N HA 0.234 4.972 4.740 -0.002 0.000 0.244 183 N C -0.036 175.127 175.510 -0.579 0.000 1.216 183 N CA -0.125 52.698 53.050 -0.378 0.000 0.879 183 N CB 0.459 38.806 38.487 -0.233 0.000 1.167 183 N HN 0.115 nan 8.380 nan 0.000 0.515 184 I N 2.253 122.495 120.570 -0.546 0.000 2.329 184 I HA 0.053 4.222 4.170 -0.002 0.000 0.295 184 I C -0.220 175.600 176.117 -0.495 0.000 1.109 184 I CA -0.043 60.999 61.300 -0.430 0.000 1.297 184 I CB 0.057 37.882 38.000 -0.290 0.000 1.433 184 I HN 0.041 nan 8.210 nan 0.000 0.509 185 H N 7.665 126.675 119.070 -0.100 0.000 2.595 185 H HA 0.455 5.009 4.556 -0.002 0.000 0.313 185 H C -0.338 174.897 175.328 -0.156 0.000 1.023 185 H CA -0.592 55.407 56.048 -0.082 0.000 1.218 185 H CB 1.380 31.101 29.762 -0.068 0.000 1.403 185 H HN 0.416 nan 8.280 nan 0.000 0.477 186 L N 2.868 124.014 121.223 -0.127 0.000 2.343 186 L HA 0.451 4.790 4.340 -0.002 0.000 0.275 186 L C 0.660 177.322 176.870 -0.347 0.000 1.056 186 L CA -0.382 54.170 54.840 -0.479 0.000 0.804 186 L CB 1.595 43.029 42.059 -1.042 0.000 1.203 186 L HN 0.679 nan 8.230 nan 0.000 0.440 187 T N -2.115 112.268 114.554 -0.285 0.000 2.754 187 T HA 0.328 4.677 4.350 -0.002 0.000 0.296 187 T C 0.637 175.469 174.700 0.219 0.000 1.205 187 T CA -0.935 61.230 62.100 0.109 0.000 1.009 187 T CB 1.175 70.076 68.868 0.054 0.000 1.368 187 T HN 0.264 nan 8.240 nan 0.000 0.509 188 M N 0.920 120.692 119.600 0.287 0.000 2.296 188 M HA 0.021 4.499 4.480 -0.002 0.000 0.265 188 M C 1.839 178.222 176.300 0.138 0.000 1.064 188 M CA 1.162 56.617 55.300 0.257 0.000 1.109 188 M CB -1.872 30.807 32.600 0.132 0.000 1.396 188 M HN 0.656 nan 8.290 nan 0.000 0.430 189 N N 0.596 119.324 118.700 0.047 0.000 2.192 189 N HA -0.182 4.557 4.740 -0.002 0.000 0.188 189 N C 0.905 176.366 175.510 -0.082 0.000 1.013 189 N CA 1.064 54.104 53.050 -0.017 0.000 0.863 189 N CB -0.040 38.425 38.487 -0.037 0.000 0.990 189 N HN 0.420 nan 8.380 nan 0.000 0.430 190 D N -0.218 120.078 120.400 -0.175 0.000 2.269 190 D HA -0.027 4.612 4.640 -0.002 0.000 0.208 190 D C -0.107 175.833 176.300 -0.600 0.000 0.963 190 D CA 0.883 54.615 54.000 -0.445 0.000 0.864 190 D CB 0.137 40.509 40.800 -0.713 0.000 0.936 190 D HN 0.130 nan 8.370 nan 0.000 0.505 191 F N 0.035 119.940 119.950 -0.075 0.000 2.480 191 F HA 0.268 4.794 4.527 -0.002 0.000 0.329 191 F C 0.620 176.374 175.800 -0.077 0.000 1.091 191 F CA -0.966 57.000 58.000 -0.058 0.000 0.972 191 F CB 1.977 40.961 39.000 -0.028 0.000 1.150 191 F HN -0.435 nan 8.300 nan 0.000 0.467 192 S N 2.672 118.413 115.700 0.068 0.000 2.543 192 S HA 0.478 4.947 4.470 -0.002 0.000 0.299 192 S C -0.692 173.719 174.600 -0.315 0.000 1.125 192 S CA -0.536 57.623 58.200 -0.069 0.000 1.098 192 S CB -0.233 62.951 63.200 -0.027 0.000 1.063 192 S HN 0.378 nan 8.310 nan 0.000 0.493 193 V N 6.945 126.738 119.914 -0.203 0.000 2.614 193 V HA 0.248 4.367 4.120 -0.002 0.000 0.291 193 V C 0.798 176.776 176.094 -0.193 0.000 1.049 193 V CA -0.014 62.145 62.300 -0.235 0.000 1.038 193 V CB 0.711 32.401 31.823 -0.222 0.000 0.980 193 V HN 0.820 nan 8.190 nan 0.000 0.481 194 H N 3.751 122.883 119.070 0.104 0.000 3.500 194 H HA 0.477 5.032 4.556 -0.002 0.000 0.231 194 H C 0.450 175.867 175.328 0.148 0.000 1.357 194 H CA -0.035 56.077 56.048 0.107 0.000 1.785 194 H CB 0.340 30.160 29.762 0.097 0.000 1.552 194 H HN 0.415 nan 8.280 nan 0.000 0.522 195 R N 0.625 121.312 120.500 0.311 0.000 2.732 195 R HA 0.418 4.756 4.340 -0.002 0.000 0.278 195 R C -0.505 175.909 176.300 0.190 0.000 0.976 195 R CA -0.932 55.297 56.100 0.214 0.000 0.963 195 R CB 1.707 32.087 30.300 0.134 0.000 1.150 195 R HN 0.079 nan 8.270 nan 0.000 0.478 196 I N 2.931 123.550 120.570 0.082 0.000 2.575 196 I HA 0.102 4.271 4.170 -0.002 0.000 0.285 196 I C 1.245 177.316 176.117 -0.075 0.000 1.085 196 I CA 0.396 61.627 61.300 -0.115 0.000 1.403 196 I CB 0.478 38.375 38.000 -0.172 0.000 1.409 196 I HN 0.608 nan 8.210 nan 0.000 0.557 197 I N 1.955 122.459 120.570 -0.110 0.000 3.297 197 I HA 0.715 4.884 4.170 -0.002 0.000 0.321 197 I C -0.002 176.065 176.117 -0.083 0.000 1.503 197 I CA -0.266 60.993 61.300 -0.068 0.000 0.929 197 I CB 0.510 38.499 38.000 -0.017 0.000 1.531 197 I HN 0.679 nan 8.210 nan 0.000 0.599 198 G N 1.620 110.349 108.800 -0.118 0.000 2.046 198 G HA2 0.289 4.248 3.960 -0.002 0.000 0.245 198 G HA3 0.289 4.248 3.960 -0.002 0.000 0.245 198 G C -1.306 173.517 174.900 -0.128 0.000 1.723 198 G CA -0.994 44.046 45.100 -0.100 0.000 0.909 198 G HN 0.262 nan 8.290 nan 0.000 0.737 199 R N 0.119 120.561 120.500 -0.097 0.000 2.691 199 R HA 0.897 5.235 4.340 -0.002 0.000 0.259 199 R C 0.785 177.038 176.300 -0.079 0.000 1.048 199 R CA 0.190 56.235 56.100 -0.091 0.000 1.086 199 R CB 1.861 32.118 30.300 -0.071 0.000 1.166 199 R HN 0.949 nan 8.270 nan 0.000 0.526 200 G N -1.192 107.558 108.800 -0.083 0.000 2.753 200 G HA2 0.364 4.323 3.960 -0.002 0.000 0.303 200 G HA3 0.364 4.323 3.960 -0.002 0.000 0.303 200 G C 0.050 174.857 174.900 -0.155 0.000 1.242 200 G CA -0.235 44.795 45.100 -0.118 0.000 0.810 200 G HN 0.569 nan 8.290 nan 0.000 0.515 201 G N -0.769 107.850 108.800 -0.302 0.000 2.417 201 G HA2 0.149 4.107 3.960 -0.002 0.000 0.212 201 G HA3 0.149 4.107 3.960 -0.002 0.000 0.212 201 G C 1.229 175.972 174.900 -0.260 0.000 1.187 201 G CA 0.705 45.561 45.100 -0.407 0.000 0.804 201 G HN 0.365 nan 8.290 nan 0.000 0.534 202 F N 0.615 120.575 119.950 0.017 0.000 2.698 202 F HA 0.418 4.944 4.527 -0.002 0.000 0.295 202 F C 1.539 177.348 175.800 0.015 0.000 1.124 202 F CA 0.040 58.050 58.000 0.018 0.000 1.426 202 F CB 0.673 39.690 39.000 0.028 0.000 1.120 202 F HN 0.408 nan 8.300 nan 0.000 0.583 203 G N 0.131 109.008 108.800 0.128 0.000 2.435 203 G HA2 0.414 4.373 3.960 -0.002 0.000 0.296 203 G HA3 0.414 4.373 3.960 -0.002 0.000 0.296 203 G C -1.901 173.013 174.900 0.024 0.000 1.240 203 G CA -0.762 44.393 45.100 0.091 0.000 0.872 203 G HN -0.065 nan 8.290 nan 0.000 0.480 204 E N -0.362 119.844 120.200 0.011 0.000 2.340 204 E HA 0.587 4.936 4.350 -0.002 0.000 0.273 204 E C -1.279 175.221 176.600 -0.167 0.000 0.891 204 E CA -0.823 55.496 56.400 -0.135 0.000 0.757 204 E CB 2.166 31.695 29.700 -0.284 0.000 1.231 204 E HN 0.414 nan 8.360 nan 0.000 0.439 205 V N 2.627 122.429 119.914 -0.186 0.000 2.498 205 V HA 0.275 4.394 4.120 -0.002 0.000 0.279 205 V C -0.724 175.228 176.094 -0.237 0.000 1.048 205 V CA -0.182 62.065 62.300 -0.088 0.000 0.967 205 V CB -0.203 31.607 31.823 -0.022 0.000 0.988 205 V HN 0.576 nan 8.190 nan 0.000 0.473 206 Y N 1.683 122.005 120.300 0.036 0.000 2.675 206 Y HA 0.791 5.340 4.550 -0.002 0.000 0.328 206 Y C 0.751 176.686 175.900 0.059 0.000 1.092 206 Y CA -0.755 57.369 58.100 0.040 0.000 1.190 206 Y CB 1.661 40.135 38.460 0.024 0.000 1.350 206 Y HN 0.659 nan 8.280 nan 0.000 0.525 207 G N -0.292 108.670 108.800 0.270 0.000 2.530 207 G HA2 0.590 4.549 3.960 -0.002 0.000 0.316 207 G HA3 0.590 4.549 3.960 -0.002 0.000 0.316 207 G C -1.447 173.566 174.900 0.189 0.000 1.298 207 G CA -0.677 44.554 45.100 0.218 0.000 0.948 207 G HN 0.960 nan 8.290 nan 0.000 0.486 208 C N 0.816 120.215 119.300 0.165 0.000 3.239 208 C HA 0.858 5.316 4.460 -0.002 0.000 0.317 208 C C -0.586 174.517 174.990 0.188 0.000 1.310 208 C CA -1.369 57.675 59.018 0.043 0.000 1.371 208 C CB 1.497 29.257 27.740 0.034 0.000 1.714 208 C HN 0.916 nan 8.230 nan 0.000 0.473 209 R N 1.326 121.901 120.500 0.126 0.000 2.338 209 R HA 0.479 4.818 4.340 -0.002 0.000 0.317 209 R C -0.455 175.990 176.300 0.242 0.000 0.968 209 R CA -0.330 55.899 56.100 0.216 0.000 0.849 209 R CB 1.009 31.433 30.300 0.207 0.000 1.128 209 R HN 0.912 nan 8.270 nan 0.000 0.448 210 K N 3.478 124.055 120.400 0.295 0.000 2.363 210 K HA 0.105 4.424 4.320 -0.002 0.000 0.289 210 K C 0.752 177.318 176.600 -0.056 0.000 1.063 210 K CA 0.209 56.517 56.287 0.035 0.000 0.967 210 K CB 0.995 33.576 32.500 0.136 0.000 0.987 210 K HN 0.761 nan 8.250 nan 0.000 0.473 211 A N 3.863 126.591 122.820 -0.153 0.000 2.019 211 A HA -0.196 4.122 4.320 -0.002 0.000 0.219 211 A C 1.695 179.236 177.584 -0.071 0.000 1.164 211 A CA 1.891 53.877 52.037 -0.085 0.000 0.644 211 A CB -0.491 18.448 19.000 -0.101 0.000 0.805 211 A HN 1.018 nan 8.150 nan 0.000 0.449 212 D N -0.436 119.895 120.400 -0.115 0.000 2.126 212 D HA -0.167 4.472 4.640 -0.002 0.000 0.190 212 D C 2.004 178.313 176.300 0.014 0.000 1.001 212 D CA 2.681 56.651 54.000 -0.049 0.000 0.841 212 D CB 0.022 40.789 40.800 -0.054 0.000 0.949 212 D HN 0.521 nan 8.370 nan 0.000 0.446 213 T N -5.468 109.102 114.554 0.026 0.000 2.975 213 T HA 0.366 4.714 4.350 -0.002 0.000 0.261 213 T C 1.419 176.139 174.700 0.034 0.000 0.984 213 T CA 0.529 62.654 62.100 0.041 0.000 0.911 213 T CB 0.676 69.572 68.868 0.047 0.000 1.127 213 T HN 0.262 nan 8.240 nan 0.000 0.514 214 G N 1.752 110.575 108.800 0.039 0.000 2.182 214 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.248 214 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.248 214 G C -0.170 174.748 174.900 0.031 0.000 1.042 214 G CA 0.233 45.359 45.100 0.044 0.000 0.775 214 G HN 0.844 nan 8.290 nan 0.000 0.501 215 K N 0.423 120.841 120.400 0.031 0.000 2.205 215 K HA 0.647 4.965 4.320 -0.002 0.000 0.279 215 K C 0.955 177.497 176.600 -0.096 0.000 1.027 215 K CA -0.718 55.521 56.287 -0.080 0.000 0.932 215 K CB 0.286 32.700 32.500 -0.144 0.000 1.032 215 K HN 0.053 nan 8.250 nan 0.000 0.466 216 M N 4.916 124.420 119.600 -0.161 0.000 2.162 216 M HA 0.228 4.707 4.480 -0.002 0.000 0.356 216 M C -0.802 175.407 176.300 -0.152 0.000 1.303 216 M CA 0.107 55.374 55.300 -0.054 0.000 1.116 216 M CB 0.010 32.602 32.600 -0.013 0.000 1.632 216 M HN 0.613 nan 8.290 nan 0.000 0.469 217 Y N 0.084 120.478 120.300 0.156 0.000 2.669 217 Y HA 0.714 5.263 4.550 -0.002 0.000 0.335 217 Y C -0.277 175.699 175.900 0.126 0.000 1.116 217 Y CA -1.325 56.866 58.100 0.152 0.000 1.081 217 Y CB 1.974 40.553 38.460 0.199 0.000 1.297 217 Y HN 0.657 nan 8.280 nan 0.000 0.484 218 A N 1.815 124.834 122.820 0.331 0.000 2.331 218 A HA 0.679 4.998 4.320 -0.002 0.000 0.320 218 A C -1.207 176.471 177.584 0.157 0.000 1.138 218 A CA -0.653 51.510 52.037 0.209 0.000 0.790 218 A CB 0.901 20.003 19.000 0.171 0.000 1.206 218 A HN 0.745 nan 8.150 nan 0.000 0.470 219 M N 3.031 122.710 119.600 0.130 0.000 2.149 219 M HA 0.414 4.893 4.480 -0.002 0.000 0.342 219 M C -0.375 176.038 176.300 0.187 0.000 1.068 219 M CA -0.301 55.045 55.300 0.078 0.000 0.991 219 M CB 0.787 33.356 32.600 -0.050 0.000 1.596 219 M HN 0.625 nan 8.290 nan 0.000 0.439 220 K N 5.344 125.866 120.400 0.204 0.000 2.300 220 K HA 0.361 4.679 4.320 -0.002 0.000 0.264 220 K C -1.800 174.953 176.600 0.254 0.000 1.083 220 K CA -0.525 55.910 56.287 0.247 0.000 0.958 220 K CB 0.468 33.131 32.500 0.273 0.000 1.318 220 K HN 0.785 nan 8.250 nan 0.000 0.448 221 C N 6.294 125.718 119.300 0.207 0.000 2.200 221 C HA 0.320 4.778 4.460 -0.002 0.000 0.328 221 C C -0.477 174.582 174.990 0.115 0.000 1.148 221 C CA -1.002 58.084 59.018 0.114 0.000 1.624 221 C CB -1.102 26.719 27.740 0.134 0.000 2.167 221 C HN 0.660 nan 8.230 nan 0.000 0.484 222 L N 3.564 124.840 121.223 0.089 0.000 2.319 222 L HA 0.290 4.628 4.340 -0.002 0.000 0.280 222 L C 0.335 177.194 176.870 -0.018 0.000 1.099 222 L CA 0.479 55.379 54.840 0.100 0.000 0.828 222 L CB 0.096 42.242 42.059 0.146 0.000 1.150 222 L HN 0.549 nan 8.230 nan 0.000 0.442 223 D N 1.680 122.098 120.400 0.030 0.000 2.308 223 D HA 0.132 4.771 4.640 -0.002 0.000 0.251 223 D C 0.922 177.181 176.300 -0.069 0.000 1.127 223 D CA -0.041 53.947 54.000 -0.020 0.000 0.876 223 D CB 1.030 41.847 40.800 0.027 0.000 1.176 223 D HN 0.407 nan 8.370 nan 0.000 0.446 224 K N 2.066 122.391 120.400 -0.124 0.000 2.155 224 K HA -0.071 4.247 4.320 -0.002 0.000 0.203 224 K C 1.431 177.992 176.600 -0.065 0.000 1.052 224 K CA 0.824 57.021 56.287 -0.149 0.000 0.948 224 K CB 0.217 32.616 32.500 -0.169 0.000 0.728 224 K HN 0.370 nan 8.250 nan 0.000 0.448 225 K N 0.435 120.815 120.400 -0.034 0.000 2.217 225 K HA -0.042 4.277 4.320 -0.002 0.000 0.202 225 K C 2.074 178.681 176.600 0.012 0.000 1.051 225 K CA 0.766 57.050 56.287 -0.006 0.000 0.952 225 K CB 0.064 32.564 32.500 0.001 0.000 0.736 225 K HN 0.066 nan 8.250 nan 0.000 0.453 226 R N 0.576 121.094 120.500 0.030 0.000 2.090 226 R HA 0.004 4.343 4.340 -0.002 0.000 0.228 226 R C 2.201 178.543 176.300 0.069 0.000 1.110 226 R CA 0.957 57.112 56.100 0.092 0.000 0.973 226 R CB -0.205 30.193 30.300 0.164 0.000 0.869 226 R HN 0.138 nan 8.270 nan 0.000 0.440 227 I N 0.774 121.299 120.570 -0.076 0.000 2.252 227 I HA -0.264 3.904 4.170 -0.002 0.000 0.245 227 I C 2.495 178.523 176.117 -0.149 0.000 1.102 227 I CA 1.257 62.375 61.300 -0.304 0.000 1.385 227 I CB -0.154 37.654 38.000 -0.320 0.000 1.064 227 I HN 0.062 nan 8.210 nan 0.000 0.414 228 K N 0.782 121.150 120.400 -0.054 0.000 2.148 228 K HA -0.161 4.158 4.320 -0.002 0.000 0.204 228 K C 2.233 178.833 176.600 -0.001 0.000 1.050 228 K CA 1.207 57.483 56.287 -0.019 0.000 0.942 228 K CB -0.014 32.487 32.500 0.001 0.000 0.724 228 K HN 0.209 nan 8.250 nan 0.000 0.446 229 M N 0.203 119.814 119.600 0.018 0.000 2.319 229 M HA -0.082 4.397 4.480 -0.002 0.000 0.265 229 M C 0.639 176.976 176.300 0.062 0.000 1.068 229 M CA 1.391 56.716 55.300 0.041 0.000 1.118 229 M CB 0.419 33.052 32.600 0.054 0.000 1.395 229 M HN -0.094 nan 8.290 nan 0.000 0.435 230 K N -0.070 120.378 120.400 0.080 0.000 2.387 230 K HA 0.180 4.499 4.320 -0.002 0.000 0.203 230 K C 0.184 176.831 176.600 0.077 0.000 1.030 230 K CA 0.116 56.483 56.287 0.133 0.000 1.099 230 K CB 0.433 33.139 32.500 0.343 0.000 0.863 230 K HN 0.424 nan 8.250 nan 0.000 0.529 231 Q N -0.545 119.261 119.800 0.011 0.000 2.439 231 Q HA -0.152 4.187 4.340 -0.002 0.000 0.247 231 Q C 0.464 176.440 176.000 -0.039 0.000 0.899 231 Q CA 0.785 56.581 55.803 -0.010 0.000 1.201 231 Q CB -1.805 26.942 28.738 0.014 0.000 1.608 231 Q HN 0.466 nan 8.270 nan 0.000 0.563 232 G N 0.233 108.958 108.800 -0.124 0.000 3.090 232 G HA2 0.139 4.098 3.960 -0.002 0.000 0.259 232 G HA3 0.139 4.098 3.960 -0.002 0.000 0.259 232 G C 0.535 175.335 174.900 -0.167 0.000 0.797 232 G CA 0.090 45.079 45.100 -0.186 0.000 2.032 232 G HN 0.419 nan 8.290 nan 0.000 0.614 233 E N -0.067 120.090 120.200 -0.071 0.000 2.057 233 E HA -0.047 4.302 4.350 -0.002 0.000 0.190 233 E C 2.307 178.893 176.600 -0.024 0.000 0.969 233 E CA 0.975 57.339 56.400 -0.060 0.000 0.812 233 E CB 0.176 29.820 29.700 -0.093 0.000 0.777 233 E HN 0.299 nan 8.360 nan 0.000 0.455 234 T N 1.603 116.152 114.554 -0.008 0.000 2.985 234 T HA -0.039 4.310 4.350 -0.002 0.000 0.266 234 T C 1.678 176.414 174.700 0.059 0.000 1.076 234 T CA 0.315 62.428 62.100 0.020 0.000 1.135 234 T CB -0.025 68.852 68.868 0.014 0.000 0.890 234 T HN -0.030 nan 8.240 nan 0.000 0.480 235 L N 1.700 122.961 121.223 0.063 0.000 2.056 235 L HA 0.181 4.520 4.340 -0.002 0.000 0.207 235 L C 2.493 179.454 176.870 0.151 0.000 1.078 235 L CA 1.730 56.636 54.840 0.109 0.000 0.749 235 L CB -1.096 41.053 42.059 0.150 0.000 0.901 235 L HN 0.200 nan 8.230 nan 0.000 0.433 236 A N -1.062 121.839 122.820 0.135 0.000 1.898 236 A HA -0.089 4.230 4.320 -0.002 0.000 0.214 236 A C 2.116 179.896 177.584 0.326 0.000 1.183 236 A CA 1.365 53.537 52.037 0.225 0.000 0.622 236 A CB -0.862 18.219 19.000 0.136 0.000 0.824 236 A HN 0.410 nan 8.150 nan 0.000 0.444 237 L N 0.657 122.047 121.223 0.278 0.000 2.362 237 L HA -0.061 4.277 4.340 -0.002 0.000 0.219 237 L C 1.762 178.752 176.870 0.199 0.000 1.134 237 L CA 2.000 57.012 54.840 0.287 0.000 0.807 237 L CB -1.058 41.108 42.059 0.177 0.000 0.927 237 L HN 0.536 nan 8.230 nan 0.000 0.447 238 N N -0.049 118.744 118.700 0.155 0.000 2.062 238 N HA -0.257 4.481 4.740 -0.002 0.000 0.191 238 N C 1.920 177.502 175.510 0.119 0.000 1.042 238 N CA 1.712 54.830 53.050 0.114 0.000 0.845 238 N CB -0.209 38.332 38.487 0.090 0.000 1.024 238 N HN 0.480 nan 8.380 nan 0.000 0.424 239 E N 0.121 120.399 120.200 0.131 0.000 2.086 239 E HA -0.326 4.022 4.350 -0.002 0.000 0.200 239 E C 2.089 178.742 176.600 0.088 0.000 1.012 239 E CA 1.063 57.507 56.400 0.073 0.000 0.812 239 E CB -0.125 29.585 29.700 0.018 0.000 0.743 239 E HN 0.210 nan 8.360 nan 0.000 0.453 240 R N 0.496 121.138 120.500 0.237 0.000 2.096 240 R HA -0.166 4.173 4.340 -0.002 0.000 0.240 240 R C 2.222 178.581 176.300 0.099 0.000 1.139 240 R CA 1.477 57.723 56.100 0.243 0.000 0.952 240 R CB -0.444 29.951 30.300 0.160 0.000 0.854 240 R HN 0.356 nan 8.270 nan 0.000 0.436 241 I N 0.462 121.084 120.570 0.087 0.000 2.439 241 I HA -0.225 3.943 4.170 -0.002 0.000 0.251 241 I C 2.259 178.410 176.117 0.057 0.000 1.139 241 I CA 0.830 62.164 61.300 0.056 0.000 1.438 241 I CB -0.764 37.268 38.000 0.053 0.000 1.085 241 I HN 0.124 nan 8.210 nan 0.000 0.427 242 M N 0.201 119.841 119.600 0.066 0.000 2.160 242 M HA -0.071 4.408 4.480 -0.002 0.000 0.264 242 M C 2.509 178.847 176.300 0.063 0.000 1.073 242 M CA 1.408 56.751 55.300 0.071 0.000 1.142 242 M CB -1.201 31.447 32.600 0.080 0.000 1.358 242 M HN 0.144 nan 8.290 nan 0.000 0.422 243 L N -0.374 120.873 121.223 0.040 0.000 2.013 243 L HA -0.276 4.063 4.340 -0.002 0.000 0.212 243 L C 2.788 179.688 176.870 0.051 0.000 1.073 243 L CA 1.580 56.438 54.840 0.031 0.000 0.753 243 L CB -0.709 41.348 42.059 -0.003 0.000 0.890 243 L HN 0.377 nan 8.230 nan 0.000 0.432 244 S N 0.097 115.827 115.700 0.050 0.000 2.359 244 S HA -0.225 4.243 4.470 -0.002 0.000 0.223 244 S C 1.969 176.597 174.600 0.046 0.000 1.039 244 S CA 1.572 59.796 58.200 0.040 0.000 1.042 244 S CB -0.319 62.896 63.200 0.025 0.000 0.915 244 S HN 0.345 nan 8.310 nan 0.000 0.439 245 L N 0.980 122.233 121.223 0.051 0.000 2.191 245 L HA -0.015 4.323 4.340 -0.002 0.000 0.212 245 L C 2.002 178.917 176.870 0.075 0.000 1.103 245 L CA 0.746 55.618 54.840 0.054 0.000 0.769 245 L CB -0.214 41.878 42.059 0.054 0.000 0.908 245 L HN 0.289 nan 8.230 nan 0.000 0.438 246 V N -3.139 116.833 119.914 0.096 0.000 3.590 246 V HA 0.031 4.150 4.120 -0.002 0.000 0.265 246 V C 2.025 178.222 176.094 0.172 0.000 1.239 246 V CA 0.659 63.052 62.300 0.154 0.000 1.117 246 V CB 0.606 32.510 31.823 0.135 0.000 0.818 246 V HN 0.225 nan 8.190 nan 0.000 0.451 247 S N 0.500 116.264 115.700 0.106 0.000 2.527 247 S HA -0.006 4.463 4.470 -0.002 0.000 0.222 247 S C 1.219 175.872 174.600 0.088 0.000 0.985 247 S CA 0.759 59.005 58.200 0.078 0.000 0.921 247 S CB -0.153 63.077 63.200 0.050 0.000 0.772 247 S HN 0.813 nan 8.310 nan 0.000 0.529 248 T N -1.218 113.403 114.554 0.112 0.000 2.882 248 T HA 0.594 4.943 4.350 -0.002 0.000 0.287 248 T C 1.267 176.071 174.700 0.173 0.000 1.014 248 T CA 0.101 62.261 62.100 0.101 0.000 1.049 248 T CB 1.378 70.287 68.868 0.068 0.000 1.001 248 T HN 0.302 nan 8.240 nan 0.000 0.525 249 G N 0.478 109.356 108.800 0.131 0.000 2.278 249 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.210 249 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.210 249 G C 0.132 175.116 174.900 0.140 0.000 1.000 249 G CA 0.392 45.600 45.100 0.180 0.000 0.635 249 G HN 1.287 nan 8.290 nan 0.000 0.495 250 D N -0.537 119.906 120.400 0.072 0.000 3.026 250 D HA -0.150 4.489 4.640 -0.002 0.000 0.248 250 D C 0.170 176.451 176.300 -0.032 0.000 1.100 250 D CA 1.335 55.336 54.000 0.001 0.000 0.855 250 D CB -1.500 39.302 40.800 0.003 0.000 1.011 250 D HN 1.234 nan 8.370 nan 0.000 0.423 251 C N 3.709 122.916 119.300 -0.155 0.000 2.341 251 C HA 0.710 5.168 4.460 -0.002 0.000 0.338 251 C C -0.839 173.905 174.990 -0.410 0.000 1.257 251 C CA -1.267 57.573 59.018 -0.297 0.000 1.883 251 C CB 0.965 28.279 27.740 -0.711 0.000 2.334 251 C HN 0.425 nan 8.230 nan 0.000 0.524 252 P HA 0.160 nan 4.420 nan 0.000 0.255 252 P C 0.077 176.934 177.300 -0.739 0.000 1.248 252 P CA 0.690 63.280 63.100 -0.850 0.000 0.807 252 P CB -0.022 30.894 31.700 -1.306 0.000 1.150 253 F N 0.019 119.890 119.950 -0.131 0.000 2.735 253 F HA 0.404 4.930 4.527 -0.002 0.000 0.308 253 F C 0.795 176.533 175.800 -0.104 0.000 1.112 253 F CA -0.745 57.202 58.000 -0.088 0.000 1.235 253 F CB 0.167 39.133 39.000 -0.057 0.000 1.027 253 F HN -0.254 nan 8.300 nan 0.000 0.528 254 I N -0.181 120.378 120.570 -0.017 0.000 2.619 254 I HA 0.327 4.495 4.170 -0.002 0.000 0.292 254 I C -0.636 175.462 176.117 -0.031 0.000 1.100 254 I CA -1.339 59.933 61.300 -0.046 0.000 1.043 254 I CB 2.452 40.400 38.000 -0.088 0.000 1.239 254 I HN -0.435 nan 8.210 nan 0.000 0.420 255 V N 4.246 124.156 119.914 -0.006 0.000 2.421 255 V HA 0.056 4.175 4.120 -0.002 0.000 0.271 255 V C 0.233 176.341 176.094 0.024 0.000 1.031 255 V CA -0.004 62.310 62.300 0.023 0.000 1.032 255 V CB 0.139 31.984 31.823 0.038 0.000 1.009 255 V HN 0.778 nan 8.190 nan 0.000 0.477 256 C N 5.928 125.250 119.300 0.037 0.000 2.335 256 C HA 0.582 5.041 4.460 -0.002 0.000 0.363 256 C C 0.464 175.501 174.990 0.079 0.000 1.198 256 C CA -0.695 58.349 59.018 0.044 0.000 2.279 256 C CB 1.356 29.115 27.740 0.030 0.000 2.334 256 C HN 0.905 nan 8.230 nan 0.000 0.559 257 M N 1.252 120.894 119.600 0.070 0.000 2.423 257 M HA 0.265 4.744 4.480 -0.002 0.000 0.335 257 M C 0.502 176.827 176.300 0.042 0.000 1.177 257 M CA 0.183 55.536 55.300 0.089 0.000 1.038 257 M CB 1.494 34.160 32.600 0.109 0.000 1.641 257 M HN 0.811 nan 8.290 nan 0.000 0.455 258 S N 2.128 117.828 115.700 0.001 0.000 2.599 258 S HA 0.262 4.730 4.470 -0.002 0.000 0.236 258 S C -0.936 173.387 174.600 -0.461 0.000 1.077 258 S CA 0.099 58.164 58.200 -0.226 0.000 0.906 258 S CB 0.434 63.492 63.200 -0.237 0.000 0.804 258 S HN 0.720 nan 8.310 nan 0.000 0.497 259 Y N 0.047 120.376 120.300 0.049 0.000 2.609 259 Y HA 0.766 5.315 4.550 -0.002 0.000 0.342 259 Y C -0.405 175.570 175.900 0.125 0.000 1.058 259 Y CA -1.333 56.820 58.100 0.090 0.000 1.055 259 Y CB 1.620 40.148 38.460 0.114 0.000 1.292 259 Y HN 0.066 nan 8.280 nan 0.000 0.476 260 A N 2.022 125.006 122.820 0.273 0.000 2.488 260 A HA 0.875 5.194 4.320 -0.002 0.000 0.298 260 A C -1.576 176.180 177.584 0.287 0.000 1.044 260 A CA -0.615 51.471 52.037 0.082 0.000 0.693 260 A CB 0.881 19.682 19.000 -0.332 0.000 1.272 260 A HN 0.837 nan 8.150 nan 0.000 0.402 261 F N 0.009 120.033 119.950 0.122 0.000 2.779 261 F HA 0.868 5.394 4.527 -0.002 0.000 0.316 261 F C -0.881 175.135 175.800 0.360 0.000 1.164 261 F CA -0.883 57.291 58.000 0.289 0.000 0.924 261 F CB 1.107 40.221 39.000 0.190 0.000 1.348 261 F HN 0.901 nan 8.300 nan 0.000 0.467 262 H N -1.372 117.730 119.070 0.053 0.000 2.974 262 H HA 0.725 5.280 4.556 -0.002 0.000 0.366 262 H C -1.407 173.878 175.328 -0.072 0.000 1.155 262 H CA -0.676 55.236 56.048 -0.227 0.000 1.186 262 H CB 2.000 31.549 29.762 -0.355 0.000 1.799 262 H HN 0.891 nan 8.280 nan 0.000 0.541 263 T N -0.158 114.253 114.554 -0.238 0.000 2.923 263 T HA 0.256 4.605 4.350 -0.002 0.000 0.281 263 T C -1.800 172.763 174.700 -0.229 0.000 0.995 263 T CA -2.344 59.630 62.100 -0.209 0.000 0.985 263 T CB 1.242 70.049 68.868 -0.103 0.000 1.114 263 T HN 0.402 nan 8.240 nan 0.000 0.548 264 P HA -0.084 nan 4.420 nan 0.000 0.218 264 P C 0.424 177.670 177.300 -0.090 0.000 1.146 264 P CA 1.339 64.370 63.100 -0.114 0.000 0.820 264 P CB -0.073 31.580 31.700 -0.079 0.000 0.778 265 D N -3.895 116.443 120.400 -0.103 0.000 2.539 265 D HA 0.141 4.779 4.640 -0.002 0.000 0.232 265 D C 0.130 176.350 176.300 -0.133 0.000 1.256 265 D CA -0.089 53.854 54.000 -0.096 0.000 0.810 265 D CB 0.159 40.922 40.800 -0.062 0.000 1.090 265 D HN 0.030 nan 8.370 nan 0.000 0.519 266 K N 0.463 120.753 120.400 -0.183 0.000 2.525 266 K HA 0.450 4.769 4.320 -0.002 0.000 0.254 266 K C -0.901 175.486 176.600 -0.354 0.000 0.934 266 K CA -0.675 55.473 56.287 -0.231 0.000 0.802 266 K CB 2.772 35.166 32.500 -0.175 0.000 1.295 266 K HN -0.092 nan 8.250 nan 0.000 0.433 267 L N 0.738 121.685 121.223 -0.460 0.000 2.416 267 L HA 0.533 4.872 4.340 -0.002 0.000 0.262 267 L C 0.149 176.729 176.870 -0.483 0.000 1.093 267 L CA -0.527 53.925 54.840 -0.646 0.000 0.801 267 L CB 1.598 43.136 42.059 -0.869 0.000 1.191 267 L HN 0.551 nan 8.230 nan 0.000 0.459 268 S N 0.499 115.860 115.700 -0.566 0.000 2.584 268 S HA 0.585 5.054 4.470 -0.002 0.000 0.280 268 S C -1.358 172.927 174.600 -0.524 0.000 1.162 268 S CA -0.548 57.309 58.200 -0.571 0.000 0.951 268 S CB 0.630 63.193 63.200 -1.061 0.000 1.108 268 S HN 0.307 nan 8.310 nan 0.000 0.464 269 F N 4.144 124.093 119.950 -0.002 0.000 2.482 269 F HA 0.598 5.124 4.527 -0.002 0.000 0.331 269 F C 0.161 175.980 175.800 0.033 0.000 1.115 269 F CA -1.002 57.035 58.000 0.061 0.000 0.955 269 F CB 1.208 40.251 39.000 0.073 0.000 1.136 269 F HN 0.322 nan 8.300 nan 0.000 0.452 270 I N 5.294 126.000 120.570 0.227 0.000 2.315 270 I HA 0.402 4.571 4.170 -0.002 0.000 0.291 270 I C -0.232 175.943 176.117 0.096 0.000 1.006 270 I CA -0.406 60.927 61.300 0.054 0.000 1.265 270 I CB 0.551 38.531 38.000 -0.034 0.000 1.387 270 I HN 0.504 nan 8.210 nan 0.000 0.475 271 L N 4.242 125.551 121.223 0.144 0.000 2.327 271 L HA 0.521 4.860 4.340 -0.002 0.000 0.258 271 L C -0.062 177.004 176.870 0.326 0.000 1.024 271 L CA -1.222 53.736 54.840 0.196 0.000 0.825 271 L CB 1.627 43.773 42.059 0.145 0.000 1.386 271 L HN 0.359 nan 8.230 nan 0.000 0.417 272 D N 1.351 121.908 120.400 0.262 0.000 2.515 272 D HA 0.119 4.758 4.640 -0.002 0.000 0.232 272 D C -0.445 175.965 176.300 0.184 0.000 1.157 272 D CA 0.247 54.380 54.000 0.222 0.000 0.871 272 D CB 1.043 41.914 40.800 0.117 0.000 1.200 272 D HN 0.066 nan 8.370 nan 0.000 0.466 273 L N 2.913 124.220 121.223 0.140 0.000 2.289 273 L HA 0.317 4.655 4.340 -0.002 0.000 0.285 273 L C -0.736 176.184 176.870 0.083 0.000 1.049 273 L CA -0.199 54.709 54.840 0.113 0.000 0.804 273 L CB 0.903 43.020 42.059 0.097 0.000 1.195 273 L HN 0.207 nan 8.230 nan 0.000 0.428 274 M N 5.110 124.761 119.600 0.085 0.000 2.151 274 M HA 0.367 4.846 4.480 -0.002 0.000 0.290 274 M C -0.145 176.199 176.300 0.074 0.000 0.965 274 M CA -0.114 55.236 55.300 0.083 0.000 0.930 274 M CB 1.449 34.105 32.600 0.094 0.000 1.560 274 M HN 0.520 nan 8.290 nan 0.000 0.438 275 N N 0.923 119.663 118.700 0.067 0.000 2.280 275 N HA 0.101 4.840 4.740 -0.002 0.000 0.192 275 N C 1.271 176.822 175.510 0.068 0.000 1.109 275 N CA 0.200 53.282 53.050 0.053 0.000 0.855 275 N CB 1.107 39.616 38.487 0.037 0.000 0.974 275 N HN 0.890 nan 8.380 nan 0.000 0.482 276 G N 0.393 109.258 108.800 0.109 0.000 3.042 276 G HA2 0.353 4.311 3.960 -0.002 0.000 0.212 276 G HA3 0.353 4.311 3.960 -0.002 0.000 0.212 276 G C 0.822 175.889 174.900 0.279 0.000 1.166 276 G CA 0.338 45.551 45.100 0.187 0.000 0.767 276 G HN 0.402 nan 8.290 nan 0.000 0.546 277 G N 0.612 109.478 108.800 0.110 0.000 2.829 277 G HA2 -0.065 3.894 3.960 -0.002 0.000 0.628 277 G HA3 -0.065 3.894 3.960 -0.002 0.000 0.628 277 G C -0.468 174.496 174.900 0.107 0.000 1.412 277 G CA -0.173 44.918 45.100 -0.015 0.000 0.864 277 G HN 0.603 nan 8.290 nan 0.000 0.544 278 D N -0.672 119.762 120.400 0.057 0.000 2.340 278 D HA 0.423 5.061 4.640 -0.002 0.000 0.251 278 D C 1.408 177.829 176.300 0.202 0.000 1.080 278 D CA -0.888 53.194 54.000 0.136 0.000 0.971 278 D CB 1.609 42.474 40.800 0.109 0.000 1.137 278 D HN 0.451 nan 8.370 nan 0.000 0.475 279 L N 0.245 121.570 121.223 0.169 0.000 2.478 279 L HA -0.102 4.236 4.340 -0.002 0.000 0.223 279 L C 1.963 178.922 176.870 0.149 0.000 1.140 279 L CA 1.153 56.066 54.840 0.122 0.000 0.842 279 L CB -0.945 41.059 42.059 -0.091 0.000 0.953 279 L HN 0.590 nan 8.230 nan 0.000 0.452 280 H N -2.082 117.040 119.070 0.086 0.000 2.470 280 H HA -0.181 4.373 4.556 -0.002 0.000 0.289 280 H C 1.853 177.244 175.328 0.106 0.000 1.033 280 H CA 1.412 57.516 56.048 0.093 0.000 1.331 280 H CB 0.199 30.006 29.762 0.074 0.000 1.414 280 H HN 0.501 nan 8.280 nan 0.000 0.545 281 Y N 0.920 121.154 120.300 -0.110 0.000 2.243 281 Y HA -0.137 4.411 4.550 -0.002 0.000 0.293 281 Y C 2.371 178.162 175.900 -0.183 0.000 1.124 281 Y CA 1.563 59.536 58.100 -0.211 0.000 1.159 281 Y CB -0.387 37.931 38.460 -0.236 0.000 1.008 281 Y HN 0.216 nan 8.280 nan 0.000 0.527 282 H N -0.455 118.641 119.070 0.044 0.000 2.428 282 H HA -0.100 4.455 4.556 -0.002 0.000 0.296 282 H C 2.182 177.518 175.328 0.013 0.000 1.062 282 H CA 1.382 57.434 56.048 0.007 0.000 1.350 282 H CB -0.369 29.520 29.762 0.211 0.000 1.403 282 H HN 0.399 nan 8.280 nan 0.000 0.533 283 L N 0.527 121.865 121.223 0.190 0.000 2.079 283 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 283 L C 2.369 179.215 176.870 -0.039 0.000 1.081 283 L CA 1.323 56.268 54.840 0.174 0.000 0.752 283 L CB -0.652 41.520 42.059 0.188 0.000 0.896 283 L HN -0.008 nan 8.230 nan 0.000 0.433 284 S N -1.129 114.453 115.700 -0.197 0.000 2.368 284 S HA -0.153 4.316 4.470 -0.002 0.000 0.225 284 S C 1.808 176.273 174.600 -0.225 0.000 1.030 284 S CA 1.229 59.282 58.200 -0.244 0.000 0.999 284 S CB -0.105 62.886 63.200 -0.348 0.000 0.844 284 S HN 0.555 nan 8.310 nan 0.000 0.459 285 Q N -0.338 119.297 119.800 -0.274 0.000 2.302 285 Q HA 0.101 4.439 4.340 -0.002 0.000 0.202 285 Q C 1.722 177.654 176.000 -0.113 0.000 0.936 285 Q CA 0.846 56.527 55.803 -0.204 0.000 0.886 285 Q CB -0.435 28.160 28.738 -0.239 0.000 0.986 285 Q HN 0.649 nan 8.270 nan 0.000 0.487 286 H N -0.059 118.887 119.070 -0.206 0.000 2.547 286 H HA 0.131 4.686 4.556 -0.002 0.000 0.272 286 H C 0.589 175.723 175.328 -0.325 0.000 0.971 286 H CA 1.212 57.082 56.048 -0.296 0.000 1.245 286 H CB 0.648 30.116 29.762 -0.489 0.000 1.440 286 H HN 0.219 nan 8.280 nan 0.000 0.540 287 G N 0.821 109.516 108.800 -0.175 0.000 2.645 287 G HA2 -0.290 3.668 3.960 -0.002 0.000 0.239 287 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.239 287 G C 0.158 174.994 174.900 -0.107 0.000 1.331 287 G CA 0.318 45.333 45.100 -0.141 0.000 0.890 287 G HN 0.669 nan 8.290 nan 0.000 0.572 288 V N -1.811 118.078 119.914 -0.041 0.000 3.139 288 V HA 0.619 4.737 4.120 -0.002 0.000 0.307 288 V C 0.730 176.842 176.094 0.030 0.000 1.095 288 V CA 0.091 62.432 62.300 0.067 0.000 1.160 288 V CB 0.429 32.287 31.823 0.059 0.000 1.003 288 V HN 0.936 nan 8.190 nan 0.000 0.489 289 F N 1.167 121.181 119.950 0.106 0.000 2.497 289 F HA 0.649 5.175 4.527 -0.002 0.000 0.331 289 F C 1.119 176.952 175.800 0.055 0.000 1.060 289 F CA -0.189 57.878 58.000 0.111 0.000 0.989 289 F CB 1.752 40.776 39.000 0.040 0.000 1.245 289 F HN 0.874 nan 8.300 nan 0.000 0.486 290 S N -0.248 115.598 115.700 0.242 0.000 2.617 290 S HA 0.140 4.609 4.470 -0.002 0.000 0.259 290 S C 0.839 175.495 174.600 0.093 0.000 1.301 290 S CA -0.564 57.706 58.200 0.116 0.000 0.984 290 S CB 0.775 64.023 63.200 0.080 0.000 0.954 290 S HN 0.751 nan 8.310 nan 0.000 0.572 291 E N 0.765 120.981 120.200 0.027 0.000 2.051 291 E HA -0.135 4.213 4.350 -0.002 0.000 0.192 291 E C 2.404 179.066 176.600 0.103 0.000 0.991 291 E CA 1.193 57.624 56.400 0.052 0.000 0.799 291 E CB -0.557 29.167 29.700 0.039 0.000 0.748 291 E HN 0.782 nan 8.360 nan 0.000 0.449 292 A N 1.597 124.436 122.820 0.031 0.000 1.948 292 A HA -0.248 4.071 4.320 -0.002 0.000 0.220 292 A C 1.651 179.235 177.584 0.001 0.000 1.177 292 A CA 1.951 53.970 52.037 -0.030 0.000 0.636 292 A CB -0.338 18.631 19.000 -0.051 0.000 0.815 292 A HN 0.129 nan 8.150 nan 0.000 0.449 293 D N -1.198 119.247 120.400 0.076 0.000 2.162 293 D HA -0.074 4.565 4.640 -0.002 0.000 0.205 293 D C 1.925 178.339 176.300 0.190 0.000 0.964 293 D CA 0.946 55.018 54.000 0.119 0.000 0.847 293 D CB -0.369 40.588 40.800 0.262 0.000 0.988 293 D HN 0.338 nan 8.370 nan 0.000 0.480 294 M N 1.108 120.827 119.600 0.198 0.000 2.159 294 M HA -0.159 4.320 4.480 -0.002 0.000 0.263 294 M C 2.135 178.602 176.300 0.277 0.000 1.063 294 M CA 1.161 56.581 55.300 0.201 0.000 1.110 294 M CB -0.251 32.416 32.600 0.112 0.000 1.374 294 M HN -0.091 nan 8.290 nan 0.000 0.411 295 R N -0.506 120.146 120.500 0.253 0.000 2.096 295 R HA -0.252 4.087 4.340 -0.002 0.000 0.240 295 R C 2.199 178.606 176.300 0.178 0.000 1.139 295 R CA 2.382 58.589 56.100 0.177 0.000 0.952 295 R CB -0.900 29.249 30.300 -0.251 0.000 0.854 295 R HN 0.413 nan 8.270 nan 0.000 0.436 296 F N 0.417 120.312 119.950 -0.091 0.000 2.069 296 F HA -0.254 4.272 4.527 -0.002 0.000 0.298 296 F C 1.596 177.292 175.800 -0.173 0.000 1.113 296 F CA 1.659 59.533 58.000 -0.210 0.000 1.214 296 F CB -0.492 38.283 39.000 -0.375 0.000 0.978 296 F HN 0.036 nan 8.300 nan 0.000 0.474 297 Y N 0.561 120.931 120.300 0.117 0.000 2.114 297 Y HA -0.153 4.396 4.550 -0.002 0.000 0.284 297 Y C 2.720 178.575 175.900 -0.074 0.000 1.143 297 Y CA 1.417 59.505 58.100 -0.020 0.000 1.135 297 Y CB -1.477 36.977 38.460 -0.012 0.000 0.980 297 Y HN 0.181 nan 8.280 nan 0.000 0.499 298 A N 0.357 123.315 122.820 0.230 0.000 1.903 298 A HA -0.276 4.042 4.320 -0.002 0.000 0.219 298 A C 2.483 180.133 177.584 0.110 0.000 1.191 298 A CA 2.433 54.627 52.037 0.263 0.000 0.638 298 A CB -1.453 17.871 19.000 0.540 0.000 0.823 298 A HN 0.457 nan 8.150 nan 0.000 0.451 299 A N -0.237 122.576 122.820 -0.011 0.000 1.849 299 A HA -0.254 4.065 4.320 -0.002 0.000 0.217 299 A C 1.938 179.347 177.584 -0.293 0.000 1.202 299 A CA 1.851 53.752 52.037 -0.227 0.000 0.629 299 A CB -0.794 17.931 19.000 -0.459 0.000 0.834 299 A HN 0.651 nan 8.150 nan 0.000 0.447 300 E N -0.556 119.308 120.200 -0.559 0.000 2.118 300 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 300 E C 1.960 178.198 176.600 -0.603 0.000 0.992 300 E CA 1.348 57.187 56.400 -0.935 0.000 0.804 300 E CB -0.353 28.864 29.700 -0.806 0.000 0.741 300 E HN 0.728 nan 8.360 nan 0.000 0.458 301 I N 0.814 121.242 120.570 -0.237 0.000 2.315 301 I HA -0.239 3.929 4.170 -0.002 0.000 0.248 301 I C 2.368 178.456 176.117 -0.048 0.000 1.117 301 I CA 0.774 62.020 61.300 -0.091 0.000 1.404 301 I CB -0.130 37.876 38.000 0.010 0.000 1.071 301 I HN 0.070 nan 8.210 nan 0.000 0.419 302 I N 0.462 121.033 120.570 0.002 0.000 2.090 302 I HA -0.322 3.847 4.170 -0.002 0.000 0.236 302 I C 2.477 178.635 176.117 0.069 0.000 1.064 302 I CA 1.584 62.949 61.300 0.109 0.000 1.324 302 I CB -0.290 37.760 38.000 0.085 0.000 1.044 302 I HN 0.145 nan 8.210 nan 0.000 0.399 303 L N 0.304 121.535 121.223 0.014 0.000 1.997 303 L HA -0.255 4.084 4.340 -0.002 0.000 0.216 303 L C 2.680 179.658 176.870 0.179 0.000 1.074 303 L CA 1.901 56.810 54.840 0.116 0.000 0.763 303 L CB -1.631 40.552 42.059 0.207 0.000 0.890 303 L HN 0.418 nan 8.230 nan 0.000 0.434 304 G N 0.329 109.202 108.800 0.122 0.000 2.553 304 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.218 304 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.218 304 G C 1.599 176.489 174.900 -0.016 0.000 1.195 304 G CA 1.176 46.341 45.100 0.109 0.000 0.779 304 G HN 0.267 nan 8.290 nan 0.000 0.577 305 L N 0.171 121.320 121.223 -0.123 0.000 2.012 305 L HA -0.106 4.233 4.340 -0.002 0.000 0.210 305 L C 2.807 179.458 176.870 -0.364 0.000 1.073 305 L CA 1.715 56.335 54.840 -0.365 0.000 0.748 305 L CB -0.472 41.319 42.059 -0.446 0.000 0.891 305 L HN 0.423 nan 8.230 nan 0.000 0.431 306 E N -0.313 119.882 120.200 -0.009 0.000 2.070 306 E HA -0.355 3.994 4.350 -0.002 0.000 0.197 306 E C 2.102 178.741 176.600 0.065 0.000 1.004 306 E CA 1.919 58.390 56.400 0.119 0.000 0.805 306 E CB -0.116 29.664 29.700 0.134 0.000 0.744 306 E HN 0.540 nan 8.360 nan 0.000 0.451 307 H N -0.280 118.784 119.070 -0.009 0.000 2.352 307 H HA -0.100 4.454 4.556 -0.002 0.000 0.299 307 H C 2.080 177.393 175.328 -0.025 0.000 1.097 307 H CA 2.426 58.476 56.048 0.004 0.000 1.311 307 H CB 0.022 29.810 29.762 0.043 0.000 1.377 307 H HN 0.199 nan 8.280 nan 0.000 0.504 308 M N -1.374 118.233 119.600 0.012 0.000 2.200 308 M HA -0.094 4.385 4.480 -0.002 0.000 0.265 308 M C 1.887 178.211 176.300 0.040 0.000 1.066 308 M CA 1.534 56.825 55.300 -0.015 0.000 1.127 308 M CB -0.282 32.261 32.600 -0.095 0.000 1.379 308 M HN 0.487 nan 8.290 nan 0.000 0.420 309 H N 0.057 119.154 119.070 0.046 0.000 2.363 309 H HA 0.001 4.556 4.556 -0.002 0.000 0.301 309 H C 1.715 176.975 175.328 -0.113 0.000 1.074 309 H CA 1.087 57.180 56.048 0.075 0.000 1.354 309 H CB -0.075 29.737 29.762 0.084 0.000 1.397 309 H HN 0.491 nan 8.280 nan 0.000 0.516 310 N N 0.859 119.537 118.700 -0.036 0.000 2.289 310 N HA -0.111 4.628 4.740 -0.002 0.000 0.184 310 N C 1.057 176.394 175.510 -0.288 0.000 1.016 310 N CA 0.486 53.411 53.050 -0.208 0.000 0.872 310 N CB 0.047 38.451 38.487 -0.137 0.000 0.973 310 N HN 0.275 nan 8.380 nan 0.000 0.433 311 R N 0.229 120.636 120.500 -0.154 0.000 2.426 311 R HA 0.117 4.455 4.340 -0.002 0.000 0.263 311 R C -0.571 175.810 176.300 0.136 0.000 0.961 311 R CA -0.198 55.914 56.100 0.020 0.000 1.086 311 R CB -0.058 30.225 30.300 -0.028 0.000 1.186 311 R HN 0.117 nan 8.270 nan 0.000 0.537 312 F N -1.146 118.709 119.950 -0.160 0.000 3.071 312 F HA -0.225 4.300 4.527 -0.002 0.000 0.295 312 F C -0.640 174.888 175.800 -0.453 0.000 0.919 312 F CA 0.108 57.710 58.000 -0.664 0.000 1.050 312 F CB -1.779 36.790 39.000 -0.719 0.000 1.040 312 F HN -0.187 nan 8.300 nan 0.000 0.692 313 V N 0.561 120.636 119.914 0.269 0.000 2.531 313 V HA 0.607 4.726 4.120 -0.002 0.000 0.301 313 V C -0.288 176.152 176.094 0.576 0.000 1.034 313 V CA -1.003 61.530 62.300 0.389 0.000 0.865 313 V CB 2.030 33.985 31.823 0.220 0.000 0.995 313 V HN 0.023 nan 8.190 nan 0.000 0.424 314 V N 5.322 125.558 119.914 0.538 0.000 2.439 314 V HA 0.342 4.460 4.120 -0.002 0.000 0.282 314 V C 0.439 176.703 176.094 0.284 0.000 1.039 314 V CA 0.049 62.556 62.300 0.344 0.000 0.913 314 V CB 1.412 33.339 31.823 0.174 0.000 0.983 314 V HN 0.855 nan 8.190 nan 0.000 0.460 315 Y N 6.292 126.645 120.300 0.088 0.000 2.201 315 Y HA 0.085 4.633 4.550 -0.002 0.000 0.292 315 Y C 1.967 177.889 175.900 0.036 0.000 1.119 315 Y CA 1.675 59.796 58.100 0.036 0.000 1.127 315 Y CB 0.031 38.475 38.460 -0.027 0.000 1.019 315 Y HN 0.793 nan 8.280 nan 0.000 0.514 316 R N -0.827 119.663 120.500 -0.016 0.000 3.922 316 R HA -0.237 4.102 4.340 -0.002 0.000 0.447 316 R C -0.512 175.654 176.300 -0.224 0.000 1.035 316 R CA 1.225 57.270 56.100 -0.093 0.000 1.289 316 R CB -2.063 28.222 30.300 -0.026 0.000 1.906 316 R HN 0.367 nan 8.270 nan 0.000 0.540 317 D N 0.479 120.575 120.400 -0.506 0.000 2.879 317 D HA 0.190 4.829 4.640 -0.002 0.000 0.351 317 D C -1.226 174.897 176.300 -0.295 0.000 1.239 317 D CA -0.449 53.303 54.000 -0.413 0.000 0.771 317 D CB 0.435 40.973 40.800 -0.437 0.000 1.176 317 D HN 0.041 nan 8.370 nan 0.000 0.496 318 L N 2.540 123.753 121.223 -0.017 0.000 2.325 318 L HA 0.377 4.716 4.340 -0.002 0.000 0.284 318 L C -0.219 176.548 176.870 -0.172 0.000 1.089 318 L CA 0.411 55.331 54.840 0.133 0.000 0.836 318 L CB -0.130 42.050 42.059 0.202 0.000 1.184 318 L HN 0.159 nan 8.230 nan 0.000 0.444 319 K N 4.269 124.507 120.400 -0.271 0.000 2.533 319 K HA 0.590 4.908 4.320 -0.002 0.000 0.272 319 K C -2.674 173.791 176.600 -0.225 0.000 0.985 319 K CA -1.578 54.350 56.287 -0.600 0.000 0.876 319 K CB 1.287 33.194 32.500 -0.988 0.000 1.452 319 K HN 0.038 nan 8.250 nan 0.000 0.439 320 P HA -0.183 nan 4.420 nan 0.000 0.221 320 P C 1.190 178.514 177.300 0.040 0.000 1.150 320 P CA 1.434 64.526 63.100 -0.013 0.000 0.800 320 P CB 0.000 31.736 31.700 0.060 0.000 0.787 321 A N 0.612 123.442 122.820 0.017 0.000 2.032 321 A HA -0.188 4.130 4.320 -0.002 0.000 0.221 321 A C 1.959 179.557 177.584 0.023 0.000 1.165 321 A CA 1.667 53.721 52.037 0.029 0.000 0.645 321 A CB -1.220 17.718 19.000 -0.102 0.000 0.807 321 A HN 0.157 nan 8.150 nan 0.000 0.453 322 N N -0.620 118.086 118.700 0.009 0.000 2.336 322 N HA 0.210 4.949 4.740 -0.002 0.000 0.189 322 N C -0.277 175.276 175.510 0.072 0.000 1.113 322 N CA 0.265 53.351 53.050 0.059 0.000 0.858 322 N CB 0.203 38.763 38.487 0.121 0.000 0.970 322 N HN 0.465 nan 8.380 nan 0.000 0.471 323 I N 1.414 122.018 120.570 0.057 0.000 2.339 323 I HA 0.274 4.442 4.170 -0.002 0.000 0.290 323 I C -0.427 175.750 176.117 0.099 0.000 0.994 323 I CA -0.502 60.836 61.300 0.064 0.000 1.191 323 I CB 1.394 39.416 38.000 0.036 0.000 1.343 323 I HN -0.290 nan 8.210 nan 0.000 0.458 324 L N 6.806 128.100 121.223 0.118 0.000 2.333 324 L HA 0.567 4.905 4.340 -0.002 0.000 0.269 324 L C -0.965 176.017 176.870 0.187 0.000 1.010 324 L CA -0.830 54.095 54.840 0.140 0.000 0.818 324 L CB 2.093 44.216 42.059 0.107 0.000 1.306 324 L HN 0.374 nan 8.230 nan 0.000 0.430 325 L N 1.724 123.073 121.223 0.210 0.000 2.329 325 L HA 0.411 4.749 4.340 -0.002 0.000 0.279 325 L C -0.276 176.703 176.870 0.183 0.000 1.014 325 L CA -0.513 54.466 54.840 0.231 0.000 0.814 325 L CB 1.466 43.683 42.059 0.262 0.000 1.257 325 L HN 0.549 nan 8.230 nan 0.000 0.424 326 D N 0.753 121.264 120.400 0.184 0.000 2.451 326 D HA 0.037 4.676 4.640 -0.002 0.000 0.259 326 D C 0.788 177.152 176.300 0.107 0.000 1.201 326 D CA -0.506 53.577 54.000 0.139 0.000 1.028 326 D CB 0.567 41.458 40.800 0.152 0.000 1.095 326 D HN 0.707 nan 8.370 nan 0.000 0.539 327 E N -1.167 119.048 120.200 0.025 0.000 2.338 327 E HA -0.231 4.118 4.350 -0.002 0.000 0.197 327 E C 1.147 177.697 176.600 -0.083 0.000 1.007 327 E CA 0.909 57.279 56.400 -0.051 0.000 0.849 327 E CB -0.295 29.330 29.700 -0.125 0.000 0.774 327 E HN 0.420 nan 8.360 nan 0.000 0.506 328 H N -0.250 118.878 119.070 0.097 0.000 2.482 328 H HA 0.163 4.718 4.556 -0.002 0.000 0.286 328 H C 1.573 176.917 175.328 0.026 0.000 1.017 328 H CA 1.314 57.422 56.048 0.100 0.000 1.322 328 H CB 1.245 31.135 29.762 0.214 0.000 1.426 328 H HN 0.506 nan 8.280 nan 0.000 0.546 329 G N -0.067 108.822 108.800 0.148 0.000 2.296 329 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.188 329 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.188 329 G C 0.120 175.050 174.900 0.050 0.000 1.000 329 G CA -0.361 44.742 45.100 0.004 0.000 0.672 329 G HN 0.395 nan 8.290 nan 0.000 0.483 330 H N 0.433 119.646 119.070 0.239 0.000 2.679 330 H HA 0.525 5.080 4.556 -0.002 0.000 0.369 330 H C 0.653 176.153 175.328 0.288 0.000 1.178 330 H CA 0.916 57.161 56.048 0.329 0.000 1.419 330 H CB 1.813 31.740 29.762 0.275 0.000 1.458 330 H HN 0.618 nan 8.280 nan 0.000 0.605 331 V N -0.028 120.138 119.914 0.420 0.000 3.046 331 V HA 0.749 4.868 4.120 -0.002 0.000 0.316 331 V C -0.265 175.995 176.094 0.277 0.000 1.104 331 V CA -1.064 61.429 62.300 0.322 0.000 1.006 331 V CB 2.545 34.576 31.823 0.347 0.000 1.058 331 V HN 0.733 nan 8.190 nan 0.000 0.440 332 R N 1.251 121.866 120.500 0.192 0.000 2.604 332 R HA 0.603 4.942 4.340 -0.002 0.000 0.270 332 R C -1.354 174.982 176.300 0.059 0.000 1.052 332 R CA -0.749 55.432 56.100 0.135 0.000 0.902 332 R CB 2.386 32.748 30.300 0.103 0.000 1.233 332 R HN 0.777 nan 8.270 nan 0.000 0.455 333 I N 0.969 121.529 120.570 -0.016 0.000 2.634 333 I HA -0.007 4.161 4.170 -0.002 0.000 0.284 333 I C 1.036 177.113 176.117 -0.068 0.000 1.124 333 I CA 0.622 61.848 61.300 -0.123 0.000 1.417 333 I CB 1.480 39.253 38.000 -0.378 0.000 1.396 333 I HN 0.680 nan 8.210 nan 0.000 0.571 334 S N 2.468 118.175 115.700 0.011 0.000 3.334 334 S HA 0.043 4.511 4.470 -0.002 0.000 0.224 334 S C 0.329 175.002 174.600 0.123 0.000 0.959 334 S CA -0.106 58.130 58.200 0.059 0.000 0.815 334 S CB 0.228 63.465 63.200 0.061 0.000 0.861 334 S HN 0.709 nan 8.310 nan 0.000 0.596 335 D N 2.247 122.753 120.400 0.176 0.000 2.348 335 D HA 0.161 4.800 4.640 -0.002 0.000 0.259 335 D C -0.064 176.333 176.300 0.162 0.000 1.296 335 D CA 0.255 54.321 54.000 0.110 0.000 0.931 335 D CB 0.408 41.232 40.800 0.039 0.000 1.067 335 D HN 0.326 nan 8.370 nan 0.000 0.503 336 L N 2.818 124.105 121.223 0.107 0.000 2.741 336 L HA 0.239 4.578 4.340 -0.002 0.000 0.237 336 L C 2.181 179.069 176.870 0.029 0.000 1.178 336 L CA -0.271 54.648 54.840 0.133 0.000 0.973 336 L CB 0.651 42.776 42.059 0.110 0.000 1.255 336 L HN 0.429 nan 8.230 nan 0.000 0.498 337 G N 0.298 109.092 108.800 -0.010 0.000 2.421 337 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.216 337 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.216 337 G C 1.334 176.236 174.900 0.003 0.000 1.171 337 G CA 0.422 45.528 45.100 0.010 0.000 0.775 337 G HN 0.295 nan 8.290 nan 0.000 0.543 338 L N 0.983 122.168 121.223 -0.062 0.000 2.599 338 L HA 0.285 4.624 4.340 -0.002 0.000 0.230 338 L C 1.906 178.740 176.870 -0.059 0.000 1.141 338 L CA -0.268 54.526 54.840 -0.077 0.000 0.877 338 L CB -0.548 41.424 42.059 -0.146 0.000 1.009 338 L HN 0.247 nan 8.230 nan 0.000 0.447 339 A N -0.181 122.624 122.820 -0.024 0.000 2.429 339 A HA 0.238 4.556 4.320 -0.002 0.000 0.242 339 A C -0.127 177.514 177.584 0.095 0.000 1.088 339 A CA 0.000 52.082 52.037 0.074 0.000 0.784 339 A CB 0.443 19.546 19.000 0.171 0.000 1.038 339 A HN 0.410 nan 8.150 nan 0.000 0.501 340 C N 0.947 120.334 119.300 0.146 0.000 3.006 340 C HA 0.538 4.997 4.460 -0.002 0.000 0.359 340 C C -1.137 173.975 174.990 0.203 0.000 1.103 340 C CA -0.848 58.255 59.018 0.141 0.000 1.286 340 C CB 0.877 28.688 27.740 0.117 0.000 1.694 340 C HN 0.983 nan 8.230 nan 0.000 0.511 341 D N 2.356 122.841 120.400 0.142 0.000 2.350 341 D HA 0.388 5.026 4.640 -0.002 0.000 0.249 341 D C 0.248 176.651 176.300 0.171 0.000 1.119 341 D CA -0.353 53.714 54.000 0.112 0.000 0.886 341 D CB 0.576 41.396 40.800 0.033 0.000 1.195 341 D HN 0.572 nan 8.370 nan 0.000 0.437 342 F N 0.932 120.940 119.950 0.096 0.000 2.772 342 F HA 0.241 4.766 4.527 -0.002 0.000 0.316 342 F C 1.523 177.379 175.800 0.094 0.000 1.114 342 F CA -0.161 57.879 58.000 0.066 0.000 1.191 342 F CB -0.540 38.492 39.000 0.053 0.000 1.065 342 F HN 0.226 nan 8.300 nan 0.000 0.534 343 S N 1.362 116.937 115.700 -0.209 0.000 2.335 343 S HA -0.103 4.366 4.470 -0.002 0.000 0.217 343 S C 1.739 176.260 174.600 -0.131 0.000 1.032 343 S CA 0.932 58.966 58.200 -0.277 0.000 0.985 343 S CB -0.535 62.320 63.200 -0.575 0.000 0.896 343 S HN 0.466 nan 8.310 nan 0.000 0.445 344 K N 1.158 121.492 120.400 -0.110 0.000 2.167 344 K HA 0.193 4.512 4.320 -0.002 0.000 0.203 344 K C 0.755 177.344 176.600 -0.018 0.000 1.052 344 K CA 0.696 56.941 56.287 -0.070 0.000 0.956 344 K CB -0.003 32.456 32.500 -0.069 0.000 0.735 344 K HN 0.434 nan 8.250 nan 0.000 0.451 345 K N 0.959 121.366 120.400 0.012 0.000 2.557 345 K HA 0.174 4.492 4.320 -0.002 0.000 0.261 345 K C -1.607 175.031 176.600 0.064 0.000 0.932 345 K CA -0.578 55.729 56.287 0.034 0.000 0.829 345 K CB 1.761 34.274 32.500 0.022 0.000 1.358 345 K HN -0.240 nan 8.250 nan 0.000 0.430 346 K N 4.426 124.860 120.400 0.056 0.000 2.297 346 K HA 0.268 4.587 4.320 -0.002 0.000 0.286 346 K C -2.122 174.438 176.600 -0.068 0.000 1.053 346 K CA -1.661 54.636 56.287 0.017 0.000 0.940 346 K CB 0.959 33.458 32.500 -0.001 0.000 1.019 346 K HN 0.465 nan 8.250 nan 0.000 0.475 347 P HA 0.040 nan 4.420 nan 0.000 0.275 347 P C -0.342 176.739 177.300 -0.365 0.000 1.266 347 P CA 0.076 63.021 63.100 -0.259 0.000 0.793 347 P CB 0.549 32.038 31.700 -0.351 0.000 1.074 348 H N -2.936 116.009 119.070 -0.208 0.000 3.474 348 H HA 0.454 5.009 4.556 -0.002 0.000 0.259 348 H C -0.176 175.272 175.328 0.200 0.000 1.164 348 H CA -0.429 55.644 56.048 0.042 0.000 1.078 348 H CB -0.511 29.260 29.762 0.016 0.000 1.957 348 H HN 0.401 nan 8.280 nan 0.000 0.765 349 A N 1.021 123.759 122.820 -0.135 0.000 2.249 349 A HA 0.417 4.736 4.320 -0.002 0.000 0.281 349 A C 0.627 178.238 177.584 0.045 0.000 1.127 349 A CA 0.044 52.014 52.037 -0.110 0.000 0.833 349 A CB 0.584 19.494 19.000 -0.150 0.000 1.140 349 A HN 0.286 nan 8.150 nan 0.000 0.502 350 S N 0.047 115.740 115.700 -0.012 0.000 2.979 350 S HA 0.411 4.880 4.470 -0.002 0.000 0.210 350 S C -0.517 174.034 174.600 -0.082 0.000 1.364 350 S CA -0.496 57.675 58.200 -0.049 0.000 1.208 350 S CB -1.264 61.918 63.200 -0.030 0.000 1.167 350 S HN 0.496 nan 8.310 nan 0.000 0.519 351 V N 2.361 122.240 119.914 -0.058 0.000 2.509 351 V HA 0.873 4.991 4.120 -0.002 0.000 0.284 351 V C 0.961 176.987 176.094 -0.113 0.000 1.047 351 V CA 0.367 62.628 62.300 -0.065 0.000 0.952 351 V CB 0.616 32.432 31.823 -0.011 0.000 0.988 351 V HN 0.795 nan 8.190 nan 0.000 0.469 352 G N 3.511 112.230 108.800 -0.134 0.000 2.359 352 G HA2 0.167 4.126 3.960 -0.002 0.000 0.303 352 G HA3 0.167 4.126 3.960 -0.002 0.000 0.303 352 G C -0.699 174.112 174.900 -0.147 0.000 1.293 352 G CA -0.527 44.490 45.100 -0.138 0.000 0.964 352 G HN 0.656 nan 8.290 nan 0.000 0.531 353 T N 0.439 114.961 114.554 -0.053 0.000 2.875 353 T HA 0.489 4.837 4.350 -0.002 0.000 0.284 353 T C 1.103 175.852 174.700 0.082 0.000 0.995 353 T CA -0.426 61.696 62.100 0.037 0.000 1.060 353 T CB 1.294 70.254 68.868 0.152 0.000 0.967 353 T HN 0.525 nan 8.240 nan 0.000 0.476 354 H N 1.869 120.992 119.070 0.088 0.000 2.521 354 H HA -0.020 4.535 4.556 -0.002 0.000 0.286 354 H C 2.201 177.520 175.328 -0.015 0.000 1.034 354 H CA 1.058 57.120 56.048 0.023 0.000 1.278 354 H CB 0.016 29.770 29.762 -0.014 0.000 1.386 354 H HN 0.809 nan 8.280 nan 0.000 0.567 355 G N -0.878 107.929 108.800 0.012 0.000 2.623 355 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.214 355 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.214 355 G C 0.382 175.012 174.900 -0.451 0.000 1.138 355 G CA 0.093 44.969 45.100 -0.373 0.000 0.794 355 G HN 0.375 nan 8.290 nan 0.000 0.535 356 Y N -0.684 119.707 120.300 0.151 0.000 2.721 356 Y HA 0.510 5.058 4.550 -0.002 0.000 0.251 356 Y C 0.488 176.474 175.900 0.145 0.000 1.136 356 Y CA -0.685 57.521 58.100 0.176 0.000 1.142 356 Y CB 0.261 38.794 38.460 0.122 0.000 1.212 356 Y HN -0.080 nan 8.280 nan 0.000 0.565 357 M N 1.511 121.207 119.600 0.160 0.000 2.180 357 M HA 0.608 5.087 4.480 -0.002 0.000 0.350 357 M C 0.266 176.447 176.300 -0.197 0.000 1.125 357 M CA -0.688 54.596 55.300 -0.027 0.000 1.031 357 M CB 1.297 33.809 32.600 -0.146 0.000 1.623 357 M HN 0.360 nan 8.290 nan 0.000 0.451 358 A N 5.224 127.845 122.820 -0.331 0.000 2.507 358 A HA 0.237 4.555 4.320 -0.002 0.000 0.235 358 A C -1.825 175.293 177.584 -0.777 0.000 1.070 358 A CA -0.976 50.521 52.037 -0.901 0.000 0.768 358 A CB -0.454 18.248 19.000 -0.498 0.000 1.011 358 A HN 0.626 nan 8.150 nan 0.000 0.502 359 P HA -0.190 nan 4.420 nan 0.000 0.218 359 P C 1.251 178.356 177.300 -0.325 0.000 1.148 359 P CA 1.616 64.413 63.100 -0.505 0.000 0.822 359 P CB 0.100 31.551 31.700 -0.415 0.000 0.784 360 E N -0.251 119.762 120.200 -0.311 0.000 2.285 360 E HA -0.058 4.291 4.350 -0.002 0.000 0.194 360 E C 1.688 178.146 176.600 -0.236 0.000 0.997 360 E CA 0.936 57.223 56.400 -0.189 0.000 0.845 360 E CB -1.126 28.515 29.700 -0.099 0.000 0.782 360 E HN 0.103 nan 8.360 nan 0.000 0.491 361 V N 1.646 121.273 119.914 -0.478 0.000 2.379 361 V HA -0.173 3.946 4.120 -0.002 0.000 0.245 361 V C 2.574 178.536 176.094 -0.220 0.000 1.044 361 V CA 1.179 63.152 62.300 -0.545 0.000 1.036 361 V CB -0.455 30.965 31.823 -0.671 0.000 0.664 361 V HN 0.186 nan 8.190 nan 0.000 0.453 362 L N -0.999 120.097 121.223 -0.212 0.000 2.109 362 L HA -0.043 4.296 4.340 -0.002 0.000 0.207 362 L C 1.343 178.176 176.870 -0.063 0.000 1.086 362 L CA 0.713 55.479 54.840 -0.123 0.000 0.760 362 L CB -0.439 41.536 42.059 -0.140 0.000 0.910 362 L HN 0.319 nan 8.230 nan 0.000 0.437 363 Q N 1.066 120.824 119.800 -0.070 0.000 2.330 363 Q HA -0.077 4.261 4.340 -0.002 0.000 0.279 363 Q C 0.865 176.877 176.000 0.020 0.000 1.024 363 Q CA 0.494 56.279 55.803 -0.029 0.000 0.900 363 Q CB 1.254 29.970 28.738 -0.037 0.000 1.221 363 Q HN 0.170 nan 8.270 nan 0.000 0.396 364 K N 2.252 122.667 120.400 0.025 0.000 1.986 364 K HA -0.221 4.098 4.320 -0.002 0.000 0.230 364 K C 1.031 177.697 176.600 0.109 0.000 1.048 364 K CA 2.094 58.414 56.287 0.054 0.000 1.008 364 K CB -0.378 32.141 32.500 0.031 0.000 0.737 364 K HN 0.746 nan 8.250 nan 0.000 0.447 365 G N 0.442 109.288 108.800 0.077 0.000 3.805 365 G HA2 0.291 4.249 3.960 -0.002 0.000 0.290 365 G HA3 0.291 4.249 3.960 -0.002 0.000 0.290 365 G C -0.756 174.173 174.900 0.048 0.000 1.077 365 G CA -0.464 44.674 45.100 0.063 0.000 0.852 365 G HN 0.144 nan 8.290 nan 0.000 0.531 366 V N 1.463 121.437 119.914 0.100 0.000 2.498 366 V HA 0.600 4.719 4.120 -0.002 0.000 0.279 366 V C 0.804 177.017 176.094 0.198 0.000 1.048 366 V CA -0.658 61.703 62.300 0.101 0.000 0.967 366 V CB 0.899 32.764 31.823 0.070 0.000 0.988 366 V HN 0.427 nan 8.190 nan 0.000 0.473 367 A N 5.433 128.331 122.820 0.131 0.000 2.271 367 A HA 0.890 5.208 4.320 -0.002 0.000 0.288 367 A C -0.665 177.019 177.584 0.167 0.000 1.094 367 A CA -0.253 51.843 52.037 0.099 0.000 0.828 367 A CB 0.650 19.656 19.000 0.011 0.000 1.091 367 A HN 1.170 nan 8.150 nan 0.000 0.493 368 Y N -1.575 118.725 120.300 0.000 0.000 2.750 368 Y HA 0.648 5.197 4.550 -0.002 0.000 0.335 368 Y C -0.691 175.133 175.900 -0.127 0.000 1.252 368 Y CA -0.659 57.406 58.100 -0.059 0.000 1.064 368 Y CB 0.702 39.120 38.460 -0.071 0.000 1.321 368 Y HN 0.724 nan 8.280 nan 0.000 0.451 369 D N -0.891 119.469 120.400 -0.067 0.000 3.719 369 D HA 0.210 4.849 4.640 -0.002 0.000 0.236 369 D C 1.109 177.099 176.300 -0.516 0.000 1.496 369 D CA 0.300 53.981 54.000 -0.531 0.000 1.057 369 D CB -0.386 40.036 40.800 -0.629 0.000 1.296 369 D HN 0.540 nan 8.370 nan 0.000 0.627 370 S N -0.317 114.917 115.700 -0.777 0.000 2.469 370 S HA -0.178 4.291 4.470 -0.002 0.000 0.238 370 S C 1.841 176.207 174.600 -0.390 0.000 0.998 370 S CA 1.489 59.228 58.200 -0.767 0.000 0.957 370 S CB -1.233 61.298 63.200 -1.115 0.000 0.764 370 S HN 0.529 nan 8.310 nan 0.000 0.514 371 S N 3.073 118.711 115.700 -0.104 0.000 2.389 371 S HA -0.207 4.261 4.470 -0.002 0.000 0.231 371 S C 2.109 176.762 174.600 0.089 0.000 1.052 371 S CA 1.256 59.523 58.200 0.112 0.000 1.053 371 S CB -1.355 61.891 63.200 0.077 0.000 0.886 371 S HN 0.926 nan 8.310 nan 0.000 0.456 372 A N 2.592 125.400 122.820 -0.021 0.000 1.865 372 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 372 A C 2.020 179.615 177.584 0.017 0.000 1.191 372 A CA 1.831 53.833 52.037 -0.058 0.000 0.623 372 A CB -1.069 17.835 19.000 -0.161 0.000 0.826 372 A HN 0.489 nan 8.150 nan 0.000 0.444 373 D N -1.366 118.982 120.400 -0.088 0.000 2.263 373 D HA -0.151 4.488 4.640 -0.002 0.000 0.208 373 D C 1.672 177.913 176.300 -0.097 0.000 0.971 373 D CA 0.876 54.810 54.000 -0.111 0.000 0.867 373 D CB -0.317 40.381 40.800 -0.171 0.000 0.929 373 D HN 0.793 nan 8.370 nan 0.000 0.492 374 W N -0.109 121.309 121.300 0.197 0.000 2.418 374 W HA -0.022 4.637 4.660 -0.002 0.000 0.292 374 W C 2.147 178.780 176.519 0.189 0.000 1.213 374 W CA -0.370 57.079 57.345 0.173 0.000 1.283 374 W CB -0.626 28.909 29.460 0.126 0.000 1.119 374 W HN -0.115 nan 8.180 nan 0.000 0.542 375 F N 1.428 121.540 119.950 0.271 0.000 2.134 375 F HA -0.255 4.271 4.527 -0.002 0.000 0.299 375 F C 2.412 178.331 175.800 0.197 0.000 1.097 375 F CA 2.091 60.208 58.000 0.195 0.000 1.264 375 F CB -0.470 38.595 39.000 0.109 0.000 1.001 375 F HN -0.309 nan 8.300 nan 0.000 0.479 376 S N 0.706 116.641 115.700 0.392 0.000 2.383 376 S HA -0.215 4.254 4.470 -0.002 0.000 0.229 376 S C 1.850 176.600 174.600 0.250 0.000 1.030 376 S CA 1.352 59.745 58.200 0.321 0.000 1.002 376 S CB -0.710 62.636 63.200 0.244 0.000 0.829 376 S HN 0.386 nan 8.310 nan 0.000 0.467 377 L N 2.218 123.581 121.223 0.233 0.000 2.017 377 L HA -0.010 4.329 4.340 -0.002 0.000 0.208 377 L C 2.305 179.289 176.870 0.190 0.000 1.073 377 L CA 2.031 57.010 54.840 0.231 0.000 0.745 377 L CB -1.398 40.863 42.059 0.337 0.000 0.894 377 L HN 0.300 nan 8.230 nan 0.000 0.432 378 G N -1.090 107.787 108.800 0.128 0.000 2.514 378 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.217 378 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.217 378 G C 1.623 176.560 174.900 0.061 0.000 1.198 378 G CA 1.165 46.287 45.100 0.038 0.000 0.780 378 G HN 0.558 nan 8.290 nan 0.000 0.565 379 C N 0.096 119.412 119.300 0.026 0.000 2.401 379 C HA -0.042 4.417 4.460 -0.002 0.000 0.276 379 C C 2.770 177.946 174.990 0.309 0.000 1.233 379 C CA 1.270 60.356 59.018 0.112 0.000 1.753 379 C CB -0.903 26.956 27.740 0.198 0.000 2.029 379 C HN 0.536 nan 8.230 nan 0.000 0.478 380 M N 0.098 119.912 119.600 0.357 0.000 2.098 380 M HA -0.061 4.418 4.480 -0.002 0.000 0.262 380 M C 2.221 178.652 176.300 0.220 0.000 1.072 380 M CA 1.708 57.203 55.300 0.326 0.000 1.133 380 M CB -0.318 32.394 32.600 0.186 0.000 1.344 380 M HN 0.355 nan 8.290 nan 0.000 0.414 381 L N -0.448 120.880 121.223 0.174 0.000 2.043 381 L HA -0.283 4.055 4.340 -0.002 0.000 0.212 381 L C 2.490 179.425 176.870 0.108 0.000 1.075 381 L CA 1.748 56.657 54.840 0.114 0.000 0.752 381 L CB -0.963 41.155 42.059 0.098 0.000 0.891 381 L HN 0.339 nan 8.230 nan 0.000 0.432 382 F N 1.110 121.068 119.950 0.014 0.000 2.095 382 F HA -0.305 4.221 4.527 -0.002 0.000 0.298 382 F C 2.706 178.510 175.800 0.007 0.000 1.104 382 F CA 2.074 60.080 58.000 0.009 0.000 1.232 382 F CB -0.099 38.878 39.000 -0.037 0.000 0.987 382 F HN -0.091 nan 8.300 nan 0.000 0.475 383 K N 0.391 120.960 120.400 0.281 0.000 2.097 383 K HA -0.144 4.175 4.320 -0.002 0.000 0.206 383 K C 2.003 178.668 176.600 0.108 0.000 1.049 383 K CA 1.528 57.934 56.287 0.198 0.000 0.933 383 K CB -0.277 32.418 32.500 0.325 0.000 0.717 383 K HN 0.398 nan 8.250 nan 0.000 0.442 384 L N 0.709 121.985 121.223 0.089 0.000 2.191 384 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 384 L C 2.096 179.044 176.870 0.130 0.000 1.103 384 L CA 0.865 55.759 54.840 0.090 0.000 0.769 384 L CB -0.208 41.801 42.059 -0.082 0.000 0.908 384 L HN 0.228 nan 8.230 nan 0.000 0.438 385 L N -1.336 119.876 121.223 -0.019 0.000 2.307 385 L HA 0.035 4.374 4.340 -0.002 0.000 0.211 385 L C 2.042 178.857 176.870 -0.092 0.000 1.099 385 L CA 0.459 55.258 54.840 -0.068 0.000 0.816 385 L CB -0.022 41.902 42.059 -0.226 0.000 0.952 385 L HN 0.159 nan 8.230 nan 0.000 0.455 386 R N -0.646 119.716 120.500 -0.229 0.000 2.541 386 R HA 0.246 4.585 4.340 -0.002 0.000 0.332 386 R C 0.855 177.048 176.300 -0.178 0.000 0.951 386 R CA 0.705 56.642 56.100 -0.271 0.000 1.136 386 R CB 1.257 31.197 30.300 -0.601 0.000 1.449 386 R HN 0.282 nan 8.270 nan 0.000 0.531 387 G N 1.973 110.740 108.800 -0.055 0.000 2.159 387 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.256 387 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.256 387 G C -0.182 174.840 174.900 0.204 0.000 0.977 387 G CA 1.036 46.190 45.100 0.090 0.000 0.652 387 G HN 0.671 nan 8.290 nan 0.000 0.531 388 H N -2.485 116.705 119.070 0.200 0.000 2.987 388 H HA 0.747 5.301 4.556 -0.002 0.000 0.316 388 H C -0.265 175.234 175.328 0.284 0.000 1.380 388 H CA -0.177 56.000 56.048 0.215 0.000 1.160 388 H CB 0.501 30.359 29.762 0.160 0.000 1.865 388 H HN 0.448 nan 8.280 nan 0.000 0.521 389 S N 1.206 117.078 115.700 0.287 0.000 2.560 389 S HA 0.109 4.578 4.470 -0.002 0.000 0.284 389 S C -1.325 173.293 174.600 0.030 0.000 1.327 389 S CA -0.804 57.438 58.200 0.070 0.000 1.055 389 S CB 0.368 63.466 63.200 -0.171 0.000 0.868 389 S HN 0.680 nan 8.310 nan 0.000 0.506 390 P HA -0.032 nan 4.420 nan 0.000 0.222 390 P C 0.511 177.396 177.300 -0.692 0.000 1.147 390 P CA 1.223 63.681 63.100 -1.071 0.000 0.790 390 P CB -0.082 30.502 31.700 -1.861 0.000 0.780 391 F N -0.782 119.083 119.950 -0.141 0.000 2.727 391 F HA 0.234 4.760 4.527 -0.002 0.000 0.302 391 F C 1.358 177.134 175.800 -0.039 0.000 1.097 391 F CA -0.634 57.324 58.000 -0.070 0.000 1.330 391 F CB -0.009 38.964 39.000 -0.045 0.000 1.084 391 F HN -0.232 nan 8.300 nan 0.000 0.578 392 R N 1.800 122.357 120.500 0.095 0.000 2.255 392 R HA 0.440 4.779 4.340 -0.002 0.000 0.326 392 R C -1.110 175.154 176.300 -0.059 0.000 0.986 392 R CA 0.017 56.144 56.100 0.045 0.000 0.847 392 R CB 0.484 30.824 30.300 0.066 0.000 1.111 392 R HN 0.208 nan 8.270 nan 0.000 0.452 393 Q N 1.869 121.636 119.800 -0.055 0.000 2.421 393 Q HA 0.281 4.620 4.340 -0.002 0.000 0.280 393 Q C -0.810 175.218 176.000 0.047 0.000 1.085 393 Q CA -0.978 54.786 55.803 -0.066 0.000 0.807 393 Q CB 2.061 30.782 28.738 -0.028 0.000 1.405 393 Q HN 0.801 nan 8.270 nan 0.000 0.419 394 H N 0.931 119.927 119.070 -0.123 0.000 2.731 394 H HA -0.197 4.358 4.556 -0.002 0.000 0.305 394 H C -0.145 175.142 175.328 -0.069 0.000 1.132 394 H CA 0.703 56.704 56.048 -0.079 0.000 1.148 394 H CB -0.475 29.258 29.762 -0.048 0.000 1.379 394 H HN 0.626 nan 8.280 nan 0.000 0.398 395 K N 0.391 120.782 120.400 -0.016 0.000 3.012 395 K HA -0.187 4.132 4.320 -0.002 0.000 0.259 395 K C 0.215 176.824 176.600 0.015 0.000 0.989 395 K CA 1.136 57.416 56.287 -0.012 0.000 0.728 395 K CB -0.949 31.546 32.500 -0.009 0.000 1.260 395 K HN 0.515 nan 8.250 nan 0.000 0.480 396 T N 0.069 114.635 114.554 0.020 0.000 2.937 396 T HA 0.114 4.462 4.350 -0.002 0.000 0.316 396 T C 0.251 174.953 174.700 0.002 0.000 1.079 396 T CA 0.301 62.410 62.100 0.015 0.000 1.131 396 T CB 0.383 69.255 68.868 0.007 0.000 1.000 396 T HN 0.331 nan 8.240 nan 0.000 0.549 397 K N 3.026 123.420 120.400 -0.010 0.000 3.206 397 K HA 0.243 4.562 4.320 -0.002 0.000 0.180 397 K C -1.132 175.433 176.600 -0.060 0.000 1.088 397 K CA -0.422 55.849 56.287 -0.027 0.000 0.872 397 K CB 0.593 33.084 32.500 -0.015 0.000 0.976 397 K HN 0.412 nan 8.250 nan 0.000 0.564 398 D N 1.500 121.855 120.400 -0.075 0.000 2.389 398 D HA 0.055 4.694 4.640 -0.002 0.000 0.256 398 D C 0.755 176.951 176.300 -0.172 0.000 1.239 398 D CA -0.329 53.605 54.000 -0.109 0.000 0.925 398 D CB 1.026 41.795 40.800 -0.053 0.000 1.145 398 D HN 0.231 nan 8.370 nan 0.000 0.542 399 K N 1.846 122.043 120.400 -0.338 0.000 2.103 399 K HA -0.195 4.124 4.320 -0.002 0.000 0.207 399 K C 1.012 177.412 176.600 -0.333 0.000 1.048 399 K CA 1.343 57.313 56.287 -0.527 0.000 0.930 399 K CB -0.264 31.610 32.500 -1.044 0.000 0.716 399 K HN 0.433 nan 8.250 nan 0.000 0.444 400 H N 0.223 119.203 119.070 -0.151 0.000 2.428 400 H HA 0.005 4.559 4.556 -0.002 0.000 0.296 400 H C 2.086 177.381 175.328 -0.054 0.000 1.062 400 H CA 1.114 57.113 56.048 -0.081 0.000 1.350 400 H CB 0.196 29.921 29.762 -0.061 0.000 1.403 400 H HN 0.421 nan 8.280 nan 0.000 0.533 401 E N 1.049 121.279 120.200 0.049 0.000 2.072 401 E HA -0.132 4.216 4.350 -0.002 0.000 0.190 401 E C 1.933 178.544 176.600 0.019 0.000 0.982 401 E CA 0.759 57.173 56.400 0.024 0.000 0.803 401 E CB 0.088 29.791 29.700 0.005 0.000 0.755 401 E HN 0.458 nan 8.360 nan 0.000 0.453 402 I N 1.532 122.106 120.570 0.007 0.000 2.394 402 I HA -0.239 3.929 4.170 -0.002 0.000 0.251 402 I C 1.665 177.789 176.117 0.011 0.000 1.136 402 I CA 0.910 62.229 61.300 0.033 0.000 1.425 402 I CB -0.129 37.888 38.000 0.028 0.000 1.079 402 I HN 0.044 nan 8.210 nan 0.000 0.425 403 D N 0.408 120.817 120.400 0.015 0.000 2.183 403 D HA -0.142 4.497 4.640 -0.002 0.000 0.203 403 D C 2.210 178.468 176.300 -0.069 0.000 0.969 403 D CA 0.876 54.868 54.000 -0.013 0.000 0.842 403 D CB -0.184 40.661 40.800 0.075 0.000 0.957 403 D HN 0.226 nan 8.370 nan 0.000 0.484 404 R N -0.019 120.466 120.500 -0.026 0.000 2.153 404 R HA 0.019 4.358 4.340 -0.002 0.000 0.218 404 R C 2.097 178.379 176.300 -0.030 0.000 1.072 404 R CA 0.560 56.643 56.100 -0.029 0.000 0.990 404 R CB 0.121 30.419 30.300 -0.003 0.000 0.889 404 R HN 0.070 nan 8.270 nan 0.000 0.452 405 M N -0.487 119.112 119.600 -0.001 0.000 2.132 405 M HA -0.063 4.416 4.480 -0.002 0.000 0.263 405 M C 1.922 178.204 176.300 -0.031 0.000 1.065 405 M CA 1.598 56.962 55.300 0.107 0.000 1.122 405 M CB -1.050 31.732 32.600 0.303 0.000 1.365 405 M HN 0.044 nan 8.290 nan 0.000 0.411 406 T N 2.126 116.375 114.554 -0.509 0.000 2.665 406 T HA -0.127 4.222 4.350 -0.002 0.000 0.268 406 T C 2.084 176.545 174.700 -0.398 0.000 1.035 406 T CA 1.384 62.876 62.100 -1.013 0.000 1.151 406 T CB -0.494 67.891 68.868 -0.804 0.000 0.862 406 T HN 0.316 nan 8.240 nan 0.000 0.438 407 L N 0.122 121.204 121.223 -0.234 0.000 2.313 407 L HA 0.022 4.360 4.340 -0.002 0.000 0.214 407 L C 2.526 179.367 176.870 -0.049 0.000 1.119 407 L CA 0.946 55.706 54.840 -0.133 0.000 0.809 407 L CB -0.290 41.702 42.059 -0.112 0.000 0.933 407 L HN 0.303 nan 8.230 nan 0.000 0.449 408 T N -2.123 112.422 114.554 -0.015 0.000 3.098 408 T HA 0.138 4.487 4.350 -0.002 0.000 0.246 408 T C 0.722 175.462 174.700 0.066 0.000 0.983 408 T CA -0.200 61.913 62.100 0.021 0.000 1.094 408 T CB 0.330 69.205 68.868 0.012 0.000 1.035 408 T HN -0.014 nan 8.240 nan 0.000 0.456 409 M N 2.926 122.596 119.600 0.118 0.000 2.217 409 M HA 0.480 4.959 4.480 -0.002 0.000 0.352 409 M C -0.294 176.110 176.300 0.174 0.000 1.376 409 M CA -0.501 54.887 55.300 0.147 0.000 1.107 409 M CB 0.303 33.023 32.600 0.199 0.000 1.723 409 M HN 0.202 nan 8.290 nan 0.000 0.461 410 A N 5.432 128.308 122.820 0.094 0.000 2.454 410 A HA 0.389 4.707 4.320 -0.002 0.000 0.260 410 A C -0.238 177.357 177.584 0.019 0.000 1.106 410 A CA -0.586 51.493 52.037 0.069 0.000 0.780 410 A CB -0.044 18.980 19.000 0.040 0.000 1.044 410 A HN 0.724 nan 8.150 nan 0.000 0.498 411 V N 3.990 123.893 119.914 -0.018 0.000 2.390 411 V HA 0.038 4.156 4.120 -0.002 0.000 0.260 411 V C 0.827 176.856 176.094 -0.108 0.000 1.043 411 V CA 0.045 62.250 62.300 -0.158 0.000 1.047 411 V CB -0.193 31.474 31.823 -0.260 0.000 1.066 411 V HN 0.941 nan 8.190 nan 0.000 0.481 412 E N 5.236 125.376 120.200 -0.099 0.000 2.265 412 E HA 0.285 4.634 4.350 -0.002 0.000 0.272 412 E C -0.799 175.758 176.600 -0.071 0.000 1.067 412 E CA -0.344 56.018 56.400 -0.064 0.000 0.900 412 E CB 0.531 30.203 29.700 -0.046 0.000 1.017 412 E HN 0.612 nan 8.360 nan 0.000 0.431 413 L N 6.357 127.529 121.223 -0.084 0.000 2.325 413 L HA 0.436 4.775 4.340 -0.002 0.000 0.279 413 L C -1.880 174.814 176.870 -0.292 0.000 1.054 413 L CA -2.212 52.527 54.840 -0.168 0.000 0.804 413 L CB 1.018 43.036 42.059 -0.070 0.000 1.200 413 L HN 0.487 nan 8.230 nan 0.000 0.436 414 P HA 0.060 nan 4.420 nan 0.000 0.271 414 P C -0.490 176.646 177.300 -0.273 0.000 1.244 414 P CA -0.236 62.570 63.100 -0.491 0.000 0.793 414 P CB 0.693 31.924 31.700 -0.783 0.000 0.984 415 D N -1.112 119.210 120.400 -0.130 0.000 2.201 415 D HA -0.103 4.536 4.640 -0.002 0.000 0.209 415 D C 1.905 178.223 176.300 0.029 0.000 0.961 415 D CA 1.353 55.332 54.000 -0.034 0.000 0.861 415 D CB -0.886 39.899 40.800 -0.025 0.000 0.997 415 D HN 0.349 nan 8.370 nan 0.000 0.486 416 S N 0.359 116.081 115.700 0.038 0.000 2.387 416 S HA -0.196 4.273 4.470 -0.002 0.000 0.230 416 S C 1.029 175.753 174.600 0.206 0.000 1.035 416 S CA 0.278 58.538 58.200 0.100 0.000 1.014 416 S CB -1.187 62.069 63.200 0.094 0.000 0.836 416 S HN 0.205 nan 8.310 nan 0.000 0.466 417 F N 3.305 123.228 119.950 -0.045 0.000 2.646 417 F HA 0.036 4.562 4.527 -0.002 0.000 0.363 417 F C 1.626 177.404 175.800 -0.037 0.000 1.143 417 F CA -0.018 57.949 58.000 -0.055 0.000 1.356 417 F CB 0.315 39.273 39.000 -0.070 0.000 1.055 417 F HN 0.341 nan 8.300 nan 0.000 0.606 418 S N 3.014 118.752 115.700 0.064 0.000 2.634 418 S HA 0.232 4.701 4.470 -0.002 0.000 0.261 418 S C -1.921 172.708 174.600 0.048 0.000 1.271 418 S CA -1.104 57.120 58.200 0.039 0.000 0.985 418 S CB 1.406 64.613 63.200 0.012 0.000 0.968 418 S HN 0.343 nan 8.310 nan 0.000 0.568 419 P HA -0.039 nan 4.420 nan 0.000 0.217 419 P C 1.518 178.831 177.300 0.023 0.000 1.154 419 P CA 0.983 64.103 63.100 0.034 0.000 0.841 419 P CB -0.126 31.592 31.700 0.029 0.000 0.788 420 E N 0.038 120.256 120.200 0.030 0.000 2.268 420 E HA -0.144 4.204 4.350 -0.002 0.000 0.195 420 E C 1.850 178.439 176.600 -0.018 0.000 0.995 420 E CA 0.888 57.317 56.400 0.047 0.000 0.836 420 E CB -1.104 28.654 29.700 0.097 0.000 0.763 420 E HN 0.218 nan 8.360 nan 0.000 0.491 421 L N 1.309 122.457 121.223 -0.126 0.000 2.068 421 L HA 0.038 4.377 4.340 -0.002 0.000 0.204 421 L C 2.848 179.596 176.870 -0.204 0.000 1.076 421 L CA 1.436 56.026 54.840 -0.416 0.000 0.753 421 L CB -0.425 41.310 42.059 -0.539 0.000 0.910 421 L HN -0.030 nan 8.230 nan 0.000 0.439 422 R N -1.069 119.414 120.500 -0.028 0.000 2.117 422 R HA -0.203 4.135 4.340 -0.002 0.000 0.243 422 R C 2.463 178.770 176.300 0.011 0.000 1.143 422 R CA 1.631 57.763 56.100 0.055 0.000 0.968 422 R CB -0.440 29.908 30.300 0.080 0.000 0.863 422 R HN 0.494 nan 8.270 nan 0.000 0.444 423 S N 0.270 115.966 115.700 -0.006 0.000 2.359 423 S HA -0.183 4.285 4.470 -0.002 0.000 0.223 423 S C 1.827 176.424 174.600 -0.005 0.000 1.039 423 S CA 1.575 59.778 58.200 0.004 0.000 1.042 423 S CB -0.333 62.878 63.200 0.017 0.000 0.915 423 S HN 0.372 nan 8.310 nan 0.000 0.439 424 L N 1.278 122.474 121.223 -0.046 0.000 2.027 424 L HA 0.115 4.454 4.340 -0.002 0.000 0.206 424 L C 2.233 179.089 176.870 -0.024 0.000 1.074 424 L CA 1.678 56.497 54.840 -0.035 0.000 0.745 424 L CB -0.644 41.341 42.059 -0.124 0.000 0.898 424 L HN 0.392 nan 8.230 nan 0.000 0.433 425 L N -0.280 120.913 121.223 -0.050 0.000 2.056 425 L HA -0.183 4.156 4.340 -0.002 0.000 0.207 425 L C 2.559 179.432 176.870 0.005 0.000 1.078 425 L CA 1.657 56.494 54.840 -0.006 0.000 0.749 425 L CB -0.695 41.393 42.059 0.049 0.000 0.901 425 L HN 0.496 nan 8.230 nan 0.000 0.433 426 E N -0.077 120.133 120.200 0.016 0.000 2.418 426 E HA -0.102 4.247 4.350 -0.002 0.000 0.197 426 E C 1.997 178.615 176.600 0.030 0.000 1.026 426 E CA 0.891 57.303 56.400 0.020 0.000 0.862 426 E CB -0.179 29.537 29.700 0.026 0.000 0.799 426 E HN 0.408 nan 8.360 nan 0.000 0.518 427 G N 1.720 110.535 108.800 0.025 0.000 2.394 427 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.215 427 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.215 427 G C 1.589 176.518 174.900 0.048 0.000 1.165 427 G CA 0.381 45.499 45.100 0.031 0.000 0.784 427 G HN 0.167 nan 8.290 nan 0.000 0.535 428 L N -0.103 121.146 121.223 0.045 0.000 2.072 428 L HA 0.170 4.509 4.340 -0.002 0.000 0.205 428 L C 2.296 179.183 176.870 0.027 0.000 1.079 428 L CA 0.482 55.368 54.840 0.076 0.000 0.752 428 L CB -0.185 41.924 42.059 0.084 0.000 0.906 428 L HN 0.134 nan 8.230 nan 0.000 0.436 429 L N -0.250 120.924 121.223 -0.081 0.000 2.627 429 L HA 0.028 4.367 4.340 -0.002 0.000 0.232 429 L C 0.541 177.509 176.870 0.164 0.000 1.150 429 L CA -0.336 54.368 54.840 -0.226 0.000 0.917 429 L CB -0.309 41.593 42.059 -0.260 0.000 1.104 429 L HN 0.184 nan 8.230 nan 0.000 0.445 430 Q N 0.939 120.851 119.800 0.187 0.000 2.262 430 Q HA 0.024 4.363 4.340 -0.002 0.000 0.272 430 Q C 1.146 177.306 176.000 0.267 0.000 1.076 430 Q CA 0.486 56.404 55.803 0.193 0.000 0.905 430 Q CB 0.742 29.553 28.738 0.121 0.000 1.182 430 Q HN 0.173 nan 8.270 nan 0.000 0.390 431 R N 2.223 122.863 120.500 0.232 0.000 2.083 431 R HA -0.098 4.241 4.340 -0.002 0.000 0.237 431 R C -0.145 176.197 176.300 0.070 0.000 1.137 431 R CA 1.422 57.609 56.100 0.144 0.000 0.951 431 R CB 0.055 30.405 30.300 0.083 0.000 0.851 431 R HN 0.676 nan 8.270 nan 0.000 0.434 432 D N 0.677 121.117 120.400 0.068 0.000 2.434 432 D HA -0.030 4.609 4.640 -0.002 0.000 0.252 432 D C 1.151 177.484 176.300 0.056 0.000 1.185 432 D CA 0.139 54.166 54.000 0.044 0.000 0.886 432 D CB 1.437 42.260 40.800 0.039 0.000 1.148 432 D HN -0.123 nan 8.370 nan 0.000 0.483 433 V N 3.320 123.259 119.914 0.042 0.000 2.407 433 V HA -0.305 3.814 4.120 -0.002 0.000 0.248 433 V C 1.974 178.098 176.094 0.049 0.000 1.055 433 V CA 1.838 64.171 62.300 0.054 0.000 1.049 433 V CB -0.590 31.257 31.823 0.041 0.000 0.662 433 V HN 0.554 nan 8.190 nan 0.000 0.455 434 N N 0.858 119.579 118.700 0.035 0.000 2.512 434 N HA -0.169 4.570 4.740 -0.002 0.000 0.183 434 N C 1.625 177.150 175.510 0.024 0.000 1.073 434 N CA 0.962 54.027 53.050 0.026 0.000 0.911 434 N CB -0.405 38.094 38.487 0.020 0.000 0.964 434 N HN 0.460 nan 8.380 nan 0.000 0.447 435 R N -0.362 120.158 120.500 0.033 0.000 2.546 435 R HA 0.261 4.600 4.340 -0.002 0.000 0.320 435 R C -0.350 175.974 176.300 0.039 0.000 1.021 435 R CA -0.343 55.776 56.100 0.032 0.000 1.088 435 R CB 0.292 30.613 30.300 0.036 0.000 1.278 435 R HN 0.081 nan 8.270 nan 0.000 0.557 436 R N 0.653 121.179 120.500 0.043 0.000 2.589 436 R HA 0.313 4.652 4.340 -0.002 0.000 0.293 436 R C -0.699 175.595 176.300 -0.009 0.000 0.963 436 R CA -0.619 55.514 56.100 0.055 0.000 0.905 436 R CB 1.079 31.450 30.300 0.118 0.000 1.144 436 R HN 0.082 nan 8.270 nan 0.000 0.459 437 L N 3.011 124.206 121.223 -0.045 0.000 2.453 437 L HA 0.115 4.454 4.340 -0.002 0.000 0.272 437 L C 1.208 177.853 176.870 -0.375 0.000 1.182 437 L CA 1.303 56.046 54.840 -0.161 0.000 0.858 437 L CB 1.033 43.006 42.059 -0.142 0.000 1.120 437 L HN 1.132 nan 8.230 nan 0.000 0.474 438 G N 1.945 110.453 108.800 -0.487 0.000 2.175 438 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.244 438 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.244 438 G C 0.426 175.151 174.900 -0.292 0.000 0.982 438 G CA 0.109 44.726 45.100 -0.805 0.000 0.641 438 G HN 0.714 nan 8.290 nan 0.000 0.527 439 C N -0.062 119.163 119.300 -0.125 0.000 3.580 439 C HA 0.456 4.915 4.460 -0.002 0.000 0.337 439 C C 2.381 177.364 174.990 -0.012 0.000 1.412 439 C CA 0.541 59.559 59.018 0.000 0.000 1.797 439 C CB -0.681 27.090 27.740 0.052 0.000 2.470 439 C HN 0.455 nan 8.230 nan 0.000 0.691 440 L N 1.253 122.451 121.223 -0.041 0.000 2.395 440 L HA 0.238 4.577 4.340 -0.002 0.000 0.218 440 L C 2.007 178.865 176.870 -0.021 0.000 1.130 440 L CA 1.592 56.416 54.840 -0.027 0.000 0.826 440 L CB -0.387 41.650 42.059 -0.036 0.000 0.941 440 L HN 0.616 nan 8.230 nan 0.000 0.451 441 G N -0.282 108.503 108.800 -0.026 0.000 3.611 441 G HA2 -0.133 3.825 3.960 -0.002 0.000 0.217 441 G HA3 -0.133 3.825 3.960 -0.002 0.000 0.217 441 G C 1.079 175.965 174.900 -0.023 0.000 1.023 441 G CA -0.399 44.692 45.100 -0.014 0.000 0.887 441 G HN 0.183 nan 8.290 nan 0.000 0.420 442 R N 1.185 121.656 120.500 -0.048 0.000 2.317 442 R HA 0.454 4.793 4.340 -0.002 0.000 0.208 442 R C 1.860 178.117 176.300 -0.072 0.000 0.914 442 R CA 0.771 56.836 56.100 -0.060 0.000 1.060 442 R CB 0.376 30.630 30.300 -0.077 0.000 1.015 442 R HN 0.930 nan 8.270 nan 0.000 0.498 443 G N 1.550 110.307 108.800 -0.073 0.000 2.596 443 G HA2 -0.493 3.466 3.960 -0.002 0.000 0.304 443 G HA3 -0.493 3.466 3.960 -0.002 0.000 0.304 443 G C 1.099 175.893 174.900 -0.176 0.000 1.189 443 G CA 0.525 45.601 45.100 -0.040 0.000 0.986 443 G HN 0.352 nan 8.290 nan 0.000 0.548 444 A N -1.206 121.602 122.820 -0.020 0.000 1.978 444 A HA -0.060 4.259 4.320 -0.002 0.000 0.220 444 A C 2.311 179.714 177.584 -0.300 0.000 1.170 444 A CA 2.910 54.875 52.037 -0.120 0.000 0.636 444 A CB -0.471 18.571 19.000 0.069 0.000 0.810 444 A HN 1.024 nan 8.150 nan 0.000 0.448 445 Q N 0.074 119.727 119.800 -0.244 0.000 2.224 445 Q HA -0.129 4.209 4.340 -0.002 0.000 0.203 445 Q C 1.717 177.568 176.000 -0.249 0.000 0.970 445 Q CA 1.937 57.579 55.803 -0.269 0.000 0.865 445 Q CB -0.323 28.305 28.738 -0.185 0.000 0.922 445 Q HN 0.780 nan 8.270 nan 0.000 0.445 446 E N -1.267 118.792 120.200 -0.236 0.000 2.150 446 E HA -0.119 4.230 4.350 -0.002 0.000 0.193 446 E C 1.790 178.286 176.600 -0.173 0.000 0.985 446 E CA 1.306 57.593 56.400 -0.188 0.000 0.814 446 E CB 0.162 29.743 29.700 -0.199 0.000 0.752 446 E HN 0.199 nan 8.360 nan 0.000 0.466 447 V N 1.283 121.037 119.914 -0.267 0.000 2.407 447 V HA -0.187 3.931 4.120 -0.002 0.000 0.245 447 V C 2.004 178.070 176.094 -0.046 0.000 1.041 447 V CA 1.442 63.648 62.300 -0.157 0.000 1.040 447 V CB -0.371 31.273 31.823 -0.297 0.000 0.671 447 V HN 0.129 nan 8.190 nan 0.000 0.455 448 K N 1.034 121.235 120.400 -0.331 0.000 2.044 448 K HA -0.224 4.094 4.320 -0.002 0.000 0.210 448 K C 1.929 178.542 176.600 0.023 0.000 1.049 448 K CA 1.975 57.939 56.287 -0.538 0.000 0.927 448 K CB -0.227 31.524 32.500 -1.249 0.000 0.713 448 K HN 0.753 nan 8.250 nan 0.000 0.443 449 E N 1.081 121.262 120.200 -0.031 0.000 2.445 449 E HA 0.010 4.359 4.350 -0.002 0.000 0.189 449 E C 0.070 176.751 176.600 0.135 0.000 1.069 449 E CA -0.135 56.312 56.400 0.078 0.000 0.871 449 E CB 0.319 30.016 29.700 -0.004 0.000 0.991 449 E HN -0.041 nan 8.360 nan 0.000 0.481 450 S N 2.059 117.881 115.700 0.202 0.000 2.566 450 S HA 0.030 4.499 4.470 -0.002 0.000 0.280 450 S C -1.152 173.579 174.600 0.217 0.000 1.343 450 S CA -1.171 57.154 58.200 0.209 0.000 1.036 450 S CB 0.863 64.233 63.200 0.283 0.000 0.866 450 S HN 0.053 nan 8.310 nan 0.000 0.526 451 P HA -0.134 nan 4.420 nan 0.000 0.217 451 P C 1.293 178.653 177.300 0.101 0.000 1.148 451 P CA 1.070 64.235 63.100 0.108 0.000 0.828 451 P CB -0.156 31.591 31.700 0.078 0.000 0.783 452 F N 0.088 119.980 119.950 -0.098 0.000 2.202 452 F HA -0.087 4.439 4.527 -0.002 0.000 0.301 452 F C 1.377 176.916 175.800 -0.434 0.000 1.082 452 F CA 1.137 58.938 58.000 -0.332 0.000 1.313 452 F CB -0.677 37.998 39.000 -0.542 0.000 1.024 452 F HN -0.254 nan 8.300 nan 0.000 0.495 453 F N -0.268 119.667 119.950 -0.025 0.000 2.668 453 F HA 0.304 4.830 4.527 -0.002 0.000 0.297 453 F C 1.905 177.667 175.800 -0.063 0.000 1.124 453 F CA -0.247 57.679 58.000 -0.124 0.000 1.353 453 F CB -0.660 38.458 39.000 0.196 0.000 0.992 453 F HN -0.205 nan 8.300 nan 0.000 0.524 454 R N 0.728 121.257 120.500 0.048 0.000 2.127 454 R HA -0.169 4.169 4.340 -0.002 0.000 0.238 454 R C 2.185 178.484 176.300 -0.002 0.000 1.134 454 R CA 1.914 58.045 56.100 0.052 0.000 0.975 454 R CB -0.113 30.198 30.300 0.019 0.000 0.865 454 R HN 0.338 nan 8.270 nan 0.000 0.447 455 S N -0.392 115.256 115.700 -0.087 0.000 2.461 455 S HA 0.044 4.513 4.470 -0.002 0.000 0.228 455 S C 0.805 175.340 174.600 -0.109 0.000 1.005 455 S CA 0.094 58.228 58.200 -0.110 0.000 0.942 455 S CB -0.045 63.048 63.200 -0.179 0.000 0.776 455 S HN 0.164 nan 8.310 nan 0.000 0.514 456 L N 2.598 123.726 121.223 -0.158 0.000 2.292 456 L HA 0.412 4.750 4.340 -0.002 0.000 0.284 456 L C -0.133 176.665 176.870 -0.120 0.000 1.065 456 L CA -0.625 54.094 54.840 -0.201 0.000 0.806 456 L CB 0.735 42.482 42.059 -0.519 0.000 1.175 456 L HN 0.097 nan 8.230 nan 0.000 0.431 457 D N 2.104 122.536 120.400 0.053 0.000 2.336 457 D HA 0.012 4.651 4.640 -0.002 0.000 0.249 457 D C 0.384 176.686 176.300 0.005 0.000 1.213 457 D CA -0.073 53.956 54.000 0.048 0.000 0.870 457 D CB 0.779 41.603 40.800 0.040 0.000 1.076 457 D HN 0.328 nan 8.370 nan 0.000 0.483 458 W N 2.365 123.696 121.300 0.052 0.000 2.519 458 W HA -0.088 4.571 4.660 -0.002 0.000 0.266 458 W C 2.245 178.791 176.519 0.045 0.000 1.253 458 W CA 0.027 57.393 57.345 0.035 0.000 1.274 458 W CB 0.096 29.551 29.460 -0.008 0.000 1.114 458 W HN 0.468 nan 8.180 nan 0.000 0.596 459 Q N 0.294 120.226 119.800 0.220 0.000 2.084 459 Q HA -0.203 4.136 4.340 -0.002 0.000 0.202 459 Q C 2.046 178.109 176.000 0.105 0.000 0.978 459 Q CA 1.844 57.742 55.803 0.158 0.000 0.844 459 Q CB -0.538 28.246 28.738 0.076 0.000 0.898 459 Q HN 0.110 nan 8.270 nan 0.000 0.426 460 M N -0.645 118.918 119.600 -0.061 0.000 2.213 460 M HA -0.119 4.359 4.480 -0.002 0.000 0.263 460 M C 2.066 178.206 176.300 -0.268 0.000 1.062 460 M CA 0.892 56.023 55.300 -0.281 0.000 1.105 460 M CB -0.863 31.352 32.600 -0.641 0.000 1.385 460 M HN 0.126 nan 8.290 nan 0.000 0.417 461 V N 0.112 119.957 119.914 -0.114 0.000 2.233 461 V HA -0.291 3.828 4.120 -0.002 0.000 0.247 461 V C 2.225 178.468 176.094 0.248 0.000 1.050 461 V CA 2.044 64.362 62.300 0.031 0.000 1.010 461 V CB -1.055 30.753 31.823 -0.025 0.000 0.637 461 V HN 0.312 nan 8.190 nan 0.000 0.444 462 F N 0.191 120.274 119.950 0.222 0.000 2.236 462 F HA -0.185 4.340 4.527 -0.002 0.000 0.302 462 F C 1.827 177.668 175.800 0.067 0.000 1.073 462 F CA 1.505 59.678 58.000 0.288 0.000 1.336 462 F CB -0.066 39.047 39.000 0.187 0.000 1.040 462 F HN 0.058 nan 8.300 nan 0.000 0.507 463 L N 0.398 121.610 121.223 -0.018 0.000 2.612 463 L HA 0.011 4.349 4.340 -0.002 0.000 0.230 463 L C 0.544 177.285 176.870 -0.215 0.000 1.140 463 L CA 0.209 54.944 54.840 -0.175 0.000 0.896 463 L CB -0.764 41.244 42.059 -0.085 0.000 1.065 463 L HN 0.180 nan 8.230 nan 0.000 0.447 464 Q N 0.321 120.037 119.800 -0.140 0.000 2.439 464 Q HA -0.241 4.097 4.340 -0.002 0.000 0.325 464 Q C 0.743 176.698 176.000 -0.076 0.000 1.372 464 Q CA 0.322 56.031 55.803 -0.157 0.000 0.909 464 Q CB -0.687 27.730 28.738 -0.535 0.000 1.167 464 Q HN 0.373 nan 8.270 nan 0.000 0.418 465 K N -0.740 119.647 120.400 -0.022 0.000 2.399 465 K HA 0.130 4.449 4.320 -0.002 0.000 0.196 465 K C 0.150 176.777 176.600 0.046 0.000 1.103 465 K CA 0.351 56.606 56.287 -0.054 0.000 0.986 465 K CB 0.505 32.896 32.500 -0.181 0.000 0.952 465 K HN 0.320 nan 8.250 nan 0.000 0.541 466 Y N 3.614 124.008 120.300 0.157 0.000 2.511 466 Y HA 0.024 4.573 4.550 -0.002 0.000 0.332 466 Y C -1.731 174.265 175.900 0.161 0.000 1.177 466 Y CA -1.949 56.241 58.100 0.149 0.000 1.422 466 Y CB 0.273 38.837 38.460 0.174 0.000 1.271 466 Y HN 0.016 nan 8.280 nan 0.000 0.550 467 P HA 0.093 nan 4.420 nan 0.000 0.271 467 P C -2.659 174.334 177.300 -0.511 0.000 1.226 467 P CA -1.372 61.662 63.100 -0.110 0.000 0.765 467 P CB 0.634 32.277 31.700 -0.094 0.000 0.835 468 P HA 0.150 nan 4.420 nan 0.000 0.272 468 P C -1.524 175.293 177.300 -0.805 0.000 1.223 468 P CA -1.332 60.960 63.100 -1.347 0.000 0.784 468 P CB -0.381 30.778 31.700 -0.902 0.000 0.923 469 P HA 0.069 nan 4.420 nan 0.000 0.224 469 P C -0.076 177.114 177.300 -0.183 0.000 1.157 469 P CA 0.965 63.847 63.100 -0.363 0.000 0.799 469 P CB 0.696 32.253 31.700 -0.239 0.000 0.809 470 L N -0.029 121.092 121.223 -0.170 0.000 2.436 470 L HA 0.516 4.854 4.340 -0.002 0.000 0.268 470 L C -1.160 175.638 176.870 -0.119 0.000 0.974 470 L CA -0.931 53.852 54.840 -0.095 0.000 0.826 470 L CB 2.140 44.179 42.059 -0.033 0.000 1.291 470 L HN -0.314 nan 8.230 nan 0.000 0.406 471 I N 6.046 126.564 120.570 -0.087 0.000 2.390 471 I HA 0.352 4.521 4.170 -0.002 0.000 0.283 471 I C -2.002 174.098 176.117 -0.028 0.000 1.016 471 I CA -1.811 59.459 61.300 -0.050 0.000 1.151 471 I CB 1.560 39.544 38.000 -0.026 0.000 1.293 471 I HN 0.443 nan 8.210 nan 0.000 0.458 472 P HA 0.068 nan 4.420 nan 0.000 0.265 472 P C -2.287 175.061 177.300 0.081 0.000 1.187 472 P CA -0.499 62.645 63.100 0.075 0.000 0.766 472 P CB -0.278 31.507 31.700 0.142 0.000 0.820 473 P HA 0.282 nan 4.420 nan 0.000 0.277 473 P C -0.169 177.171 177.300 0.067 0.000 1.240 473 P CA -0.250 62.899 63.100 0.081 0.000 0.798 473 P CB 1.293 33.050 31.700 0.096 0.000 0.979 491 E N 2.036 122.248 120.200 0.020 0.000 2.424 491 E HA 0.018 4.367 4.350 -0.002 0.000 0.237 491 E C -0.161 176.450 176.600 0.018 0.000 1.381 491 E CA 0.019 56.430 56.400 0.018 0.000 1.587 491 E CB 0.202 29.911 29.700 0.015 0.000 1.398 491 E HN 0.224 nan 8.360 nan 0.000 0.439 492 D N 0.140 120.553 120.400 0.021 0.000 2.305 492 D HA -0.080 4.559 4.640 -0.002 0.000 0.206 492 D C 1.669 177.983 176.300 0.023 0.000 0.974 492 D CA 0.994 55.007 54.000 0.022 0.000 0.871 492 D CB 0.333 41.148 40.800 0.026 0.000 0.947 492 D HN 0.237 nan 8.370 nan 0.000 0.516 493 T N -1.827 112.742 114.554 0.024 0.000 3.251 493 T HA 0.193 4.542 4.350 -0.002 0.000 0.259 493 T C 1.092 175.802 174.700 0.017 0.000 0.998 493 T CA -0.401 61.713 62.100 0.023 0.000 0.905 493 T CB 0.092 68.977 68.868 0.027 0.000 1.067 493 T HN -0.116 nan 8.240 nan 0.000 0.569 494 K N 0.522 120.931 120.400 0.015 0.000 2.444 494 K HA 0.176 4.495 4.320 -0.002 0.000 0.193 494 K C 1.628 178.234 176.600 0.010 0.000 1.024 494 K CA 0.265 56.559 56.287 0.011 0.000 1.077 494 K CB 0.216 32.722 32.500 0.010 0.000 0.833 494 K HN 0.464 nan 8.250 nan 0.000 0.517 495 G N 1.188 109.994 108.800 0.011 0.000 3.609 495 G HA2 0.261 4.220 3.960 -0.002 0.000 0.280 495 G HA3 0.261 4.220 3.960 -0.002 0.000 0.280 495 G C -0.018 174.888 174.900 0.010 0.000 1.155 495 G CA -0.165 44.941 45.100 0.010 0.000 0.876 495 G HN 0.035 nan 8.290 nan 0.000 0.535 496 I N 0.050 120.625 120.570 0.010 0.000 2.610 496 I HA 0.316 4.485 4.170 -0.002 0.000 0.289 496 I C -1.181 174.940 176.117 0.006 0.000 1.163 496 I CA -0.933 60.373 61.300 0.009 0.000 1.044 496 I CB 2.626 40.633 38.000 0.011 0.000 1.251 496 I HN -0.137 nan 8.210 nan 0.000 0.424 497 K N 5.823 126.226 120.400 0.005 0.000 2.156 497 K HA 0.640 4.959 4.320 -0.002 0.000 0.254 497 K C -0.916 175.687 176.600 0.004 0.000 0.950 497 K CA -0.398 55.891 56.287 0.004 0.000 0.849 497 K CB 1.714 34.216 32.500 0.003 0.000 1.100 497 K HN 0.441 nan 8.250 nan 0.000 0.434 498 L N 4.184 125.410 121.223 0.004 0.000 2.282 498 L HA 0.291 4.630 4.340 -0.002 0.000 0.287 498 L C -0.422 176.453 176.870 0.010 0.000 1.075 498 L CA -0.456 54.389 54.840 0.008 0.000 0.839 498 L CB -0.152 41.909 42.059 0.004 0.000 1.219 498 L HN 0.360 nan 8.230 nan 0.000 0.434 499 L N 2.769 123.999 121.223 0.011 0.000 2.472 499 L HA 0.086 4.424 4.340 -0.002 0.000 0.260 499 L C 1.315 178.194 176.870 0.014 0.000 1.209 499 L CA -0.285 54.560 54.840 0.009 0.000 0.817 499 L CB 0.558 42.620 42.059 0.004 0.000 1.106 499 L HN 0.611 nan 8.230 nan 0.000 0.479 500 D N -1.095 119.311 120.400 0.011 0.000 2.328 500 D HA -0.079 4.560 4.640 -0.002 0.000 0.226 500 D C 1.324 177.631 176.300 0.011 0.000 1.066 500 D CA 0.748 54.758 54.000 0.016 0.000 0.861 500 D CB 0.158 40.966 40.800 0.013 0.000 0.912 500 D HN 0.551 nan 8.370 nan 0.000 0.521 501 S N 0.239 115.940 115.700 0.002 0.000 2.427 501 S HA -0.079 4.390 4.470 -0.002 0.000 0.224 501 S C 1.407 175.994 174.600 -0.022 0.000 1.047 501 S CA 0.430 58.624 58.200 -0.010 0.000 0.953 501 S CB -0.188 63.004 63.200 -0.013 0.000 0.824 501 S HN -0.047 nan 8.310 nan 0.000 0.502 502 D N 1.865 122.257 120.400 -0.013 0.000 2.123 502 D HA -0.081 4.557 4.640 -0.002 0.000 0.196 502 D C 2.285 178.584 176.300 -0.003 0.000 0.992 502 D CA 1.303 55.291 54.000 -0.020 0.000 0.833 502 D CB -0.171 40.641 40.800 0.019 0.000 0.954 502 D HN 0.372 nan 8.370 nan 0.000 0.455 503 Q N 0.323 120.157 119.800 0.056 0.000 2.226 503 Q HA -0.132 4.207 4.340 -0.002 0.000 0.204 503 Q C 1.701 177.751 176.000 0.083 0.000 0.975 503 Q CA 0.791 56.669 55.803 0.126 0.000 0.866 503 Q CB -0.030 28.771 28.738 0.104 0.000 0.915 503 Q HN 0.478 nan 8.270 nan 0.000 0.440 504 E N 0.582 120.789 120.200 0.012 0.000 2.268 504 E HA -0.105 4.243 4.350 -0.002 0.000 0.195 504 E C 2.012 178.569 176.600 -0.073 0.000 0.995 504 E CA 0.238 56.634 56.400 -0.008 0.000 0.836 504 E CB -0.069 29.623 29.700 -0.013 0.000 0.763 504 E HN 0.228 nan 8.360 nan 0.000 0.491 505 L N -0.023 121.086 121.223 -0.189 0.000 2.083 505 L HA -0.181 4.158 4.340 -0.002 0.000 0.209 505 L C 1.181 177.823 176.870 -0.380 0.000 1.083 505 L CA 1.332 55.963 54.840 -0.349 0.000 0.752 505 L CB -0.161 41.556 42.059 -0.570 0.000 0.899 505 L HN 0.102 nan 8.230 nan 0.000 0.433 506 Y N -1.687 118.567 120.300 -0.076 0.000 2.718 506 Y HA 0.201 4.750 4.550 -0.002 0.000 0.322 506 Y C 1.959 177.768 175.900 -0.152 0.000 1.122 506 Y CA -0.247 57.770 58.100 -0.138 0.000 1.348 506 Y CB -0.632 37.612 38.460 -0.360 0.000 1.174 506 Y HN 0.078 nan 8.280 nan 0.000 0.523 507 R N 1.068 121.593 120.500 0.042 0.000 2.073 507 R HA -0.096 4.243 4.340 -0.002 0.000 0.234 507 R C 0.358 176.704 176.300 0.076 0.000 1.134 507 R CA 1.548 57.687 56.100 0.065 0.000 0.952 507 R CB 0.074 30.404 30.300 0.051 0.000 0.850 507 R HN 0.220 nan 8.270 nan 0.000 0.433 508 N N 0.601 119.345 118.700 0.073 0.000 2.455 508 N HA -0.012 4.727 4.740 -0.002 0.000 0.258 508 N C 0.101 175.667 175.510 0.094 0.000 1.158 508 N CA -0.003 53.093 53.050 0.076 0.000 0.893 508 N CB 0.174 38.691 38.487 0.049 0.000 1.173 508 N HN 0.188 nan 8.380 nan 0.000 0.503 509 F N 2.477 122.384 119.950 -0.073 0.000 2.113 509 F HA 0.089 4.615 4.527 -0.002 0.000 0.297 509 F C -1.228 174.556 175.800 -0.026 0.000 1.103 509 F CA 0.090 58.038 58.000 -0.088 0.000 1.248 509 F CB -0.830 38.007 39.000 -0.271 0.000 0.999 509 F HN 0.014 nan 8.300 nan 0.000 0.475 510 P HA 0.242 nan 4.420 nan 0.000 0.271 510 P C -1.118 176.189 177.300 0.010 0.000 1.216 510 P CA 0.232 63.394 63.100 0.104 0.000 0.776 510 P CB 1.682 33.541 31.700 0.266 0.000 0.881 511 L N 2.098 123.324 121.223 0.004 0.000 2.556 511 L HA 0.540 4.879 4.340 -0.002 0.000 0.257 511 L C -1.271 175.613 176.870 0.023 0.000 0.955 511 L CA -0.027 54.807 54.840 -0.010 0.000 0.850 511 L CB 2.231 44.255 42.059 -0.059 0.000 1.398 511 L HN 0.269 nan 8.230 nan 0.000 0.412 512 T N 5.155 119.698 114.554 -0.018 0.000 2.881 512 T HA 0.582 4.930 4.350 -0.002 0.000 0.291 512 T C -0.647 173.998 174.700 -0.092 0.000 0.990 512 T CA -0.282 61.775 62.100 -0.072 0.000 0.976 512 T CB 0.885 69.704 68.868 -0.082 0.000 0.970 512 T HN 0.374 nan 8.240 nan 0.000 0.438 513 I N 3.369 123.865 120.570 -0.124 0.000 2.363 513 I HA 0.170 4.338 4.170 -0.002 0.000 0.292 513 I C 1.765 177.870 176.117 -0.020 0.000 1.075 513 I CA 0.132 61.398 61.300 -0.058 0.000 1.333 513 I CB 0.715 38.687 38.000 -0.046 0.000 1.415 513 I HN 0.660 nan 8.210 nan 0.000 0.502 514 S N 5.863 121.575 115.700 0.020 0.000 2.354 514 S HA -0.221 4.247 4.470 -0.002 0.000 0.219 514 S C 1.730 176.413 174.600 0.138 0.000 1.035 514 S CA 2.034 60.284 58.200 0.084 0.000 1.037 514 S CB -0.029 63.216 63.200 0.074 0.000 0.956 514 S HN 0.763 nan 8.310 nan 0.000 0.428 515 E N 0.449 120.696 120.200 0.079 0.000 2.160 515 E HA -0.196 4.153 4.350 -0.002 0.000 0.195 515 E C 2.315 178.936 176.600 0.035 0.000 0.991 515 E CA 0.899 57.331 56.400 0.053 0.000 0.810 515 E CB -0.311 29.405 29.700 0.027 0.000 0.742 515 E HN 0.361 nan 8.360 nan 0.000 0.466 516 R N 0.183 120.705 120.500 0.036 0.000 2.062 516 R HA -0.127 4.211 4.340 -0.002 0.000 0.231 516 R C 1.975 178.303 176.300 0.047 0.000 1.136 516 R CA 1.680 57.793 56.100 0.022 0.000 0.948 516 R CB -0.746 29.547 30.300 -0.013 0.000 0.845 516 R HN 0.424 nan 8.270 nan 0.000 0.430 517 W N 2.428 123.653 121.300 -0.126 0.000 2.355 517 W HA -0.199 4.460 4.660 -0.002 0.000 0.309 517 W C 2.111 178.627 176.519 -0.005 0.000 1.206 517 W CA 1.404 58.719 57.345 -0.050 0.000 1.284 517 W CB -0.179 29.247 29.460 -0.056 0.000 1.145 517 W HN 0.112 nan 8.180 nan 0.000 0.502 518 Q N -0.212 119.632 119.800 0.074 0.000 2.096 518 Q HA -0.315 4.024 4.340 -0.002 0.000 0.204 518 Q C 2.138 177.934 176.000 -0.340 0.000 0.982 518 Q CA 1.985 57.658 55.803 -0.216 0.000 0.850 518 Q CB -0.493 28.249 28.738 0.006 0.000 0.901 518 Q HN 0.343 nan 8.270 nan 0.000 0.422 519 Q N 1.152 120.840 119.800 -0.187 0.000 2.046 519 Q HA -0.193 4.146 4.340 -0.002 0.000 0.200 519 Q C 1.730 177.618 176.000 -0.187 0.000 0.975 519 Q CA 1.794 57.495 55.803 -0.170 0.000 0.836 519 Q CB -0.119 28.564 28.738 -0.092 0.000 0.896 519 Q HN 0.391 nan 8.270 nan 0.000 0.428 520 E N -0.907 119.199 120.200 -0.157 0.000 2.033 520 E HA -0.218 4.130 4.350 -0.002 0.000 0.199 520 E C 1.824 178.286 176.600 -0.230 0.000 1.011 520 E CA 2.009 58.335 56.400 -0.124 0.000 0.815 520 E CB -0.155 29.554 29.700 0.015 0.000 0.755 520 E HN 0.276 nan 8.360 nan 0.000 0.451 521 V N 1.349 120.989 119.914 -0.458 0.000 2.332 521 V HA -0.307 3.812 4.120 -0.002 0.000 0.248 521 V C 2.538 178.433 176.094 -0.333 0.000 1.055 521 V CA 1.922 63.934 62.300 -0.481 0.000 1.038 521 V CB -0.967 30.310 31.823 -0.910 0.000 0.651 521 V HN 0.514 nan 8.190 nan 0.000 0.450 522 A N 0.856 123.429 122.820 -0.410 0.000 1.883 522 A HA -0.262 4.056 4.320 -0.002 0.000 0.217 522 A C 2.102 179.612 177.584 -0.122 0.000 1.186 522 A CA 1.980 53.821 52.037 -0.327 0.000 0.624 522 A CB -0.507 18.290 19.000 -0.338 0.000 0.822 522 A HN 0.802 nan 8.150 nan 0.000 0.444 523 E N -0.368 119.761 120.200 -0.118 0.000 2.445 523 E HA 0.054 4.402 4.350 -0.002 0.000 0.189 523 E C 0.858 177.432 176.600 -0.043 0.000 1.069 523 E CA 0.906 57.266 56.400 -0.066 0.000 0.871 523 E CB -0.189 29.466 29.700 -0.075 0.000 0.991 523 E HN 0.674 nan 8.360 nan 0.000 0.481 524 T N -2.478 112.056 114.554 -0.035 0.000 3.236 524 T HA 0.048 4.397 4.350 -0.002 0.000 0.146 524 T C 1.653 176.370 174.700 0.028 0.000 0.898 524 T CA 0.556 62.651 62.100 -0.009 0.000 0.882 524 T CB -0.486 68.371 68.868 -0.018 0.000 1.609 524 T HN 0.099 nan 8.240 nan 0.000 0.316 525 V N -0.423 119.519 119.914 0.047 0.000 3.354 525 V HA 0.340 4.458 4.120 -0.002 0.000 0.258 525 V C 2.126 178.311 176.094 0.151 0.000 1.159 525 V CA 0.702 63.061 62.300 0.098 0.000 1.125 525 V CB -1.370 30.531 31.823 0.130 0.000 0.774 525 V HN 0.434 nan 8.190 nan 0.000 0.464 526 F N 2.747 122.656 119.950 -0.069 0.000 2.065 526 F HA -0.163 4.363 4.527 -0.002 0.000 0.298 526 F C 1.976 177.780 175.800 0.007 0.000 1.112 526 F CA 2.490 60.407 58.000 -0.138 0.000 1.212 526 F CB -0.529 38.250 39.000 -0.368 0.000 0.975 526 F HN 0.219 nan 8.300 nan 0.000 0.476 527 D N -0.547 119.823 120.400 -0.050 0.000 2.123 527 D HA -0.172 4.467 4.640 -0.002 0.000 0.196 527 D C 2.461 178.703 176.300 -0.097 0.000 0.992 527 D CA 2.321 56.246 54.000 -0.126 0.000 0.833 527 D CB -0.568 40.233 40.800 0.003 0.000 0.954 527 D HN 0.497 nan 8.370 nan 0.000 0.455 528 T N -1.460 113.082 114.554 -0.021 0.000 2.812 528 T HA -0.020 4.329 4.350 -0.002 0.000 0.264 528 T C 2.280 176.989 174.700 0.015 0.000 1.042 528 T CA 0.501 62.602 62.100 0.002 0.000 1.140 528 T CB -0.489 68.392 68.868 0.022 0.000 0.870 528 T HN 0.131 nan 8.240 nan 0.000 0.445 529 I N 1.854 122.460 120.570 0.061 0.000 2.315 529 I HA -0.138 4.030 4.170 -0.002 0.000 0.248 529 I C 2.613 178.774 176.117 0.073 0.000 1.117 529 I CA 0.852 62.213 61.300 0.102 0.000 1.404 529 I CB -0.539 37.605 38.000 0.240 0.000 1.071 529 I HN 0.217 nan 8.210 nan 0.000 0.419 530 N N 1.440 120.157 118.700 0.028 0.000 2.061 530 N HA -0.192 4.546 4.740 -0.002 0.000 0.193 530 N C 1.930 177.437 175.510 -0.005 0.000 1.030 530 N CA 1.895 54.940 53.050 -0.008 0.000 0.856 530 N CB -0.394 37.977 38.487 -0.194 0.000 1.023 530 N HN 0.365 nan 8.380 nan 0.000 0.424 531 A N 0.824 123.632 122.820 -0.019 0.000 1.902 531 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 531 A C 2.185 179.771 177.584 0.003 0.000 1.181 531 A CA 1.855 53.891 52.037 -0.003 0.000 0.623 531 A CB -0.625 18.372 19.000 -0.005 0.000 0.818 531 A HN 0.511 nan 8.150 nan 0.000 0.443 532 E N -0.263 119.938 120.200 0.003 0.000 2.051 532 E HA -0.185 4.164 4.350 -0.002 0.000 0.192 532 E C 2.048 178.643 176.600 -0.008 0.000 0.991 532 E CA 2.015 58.414 56.400 -0.001 0.000 0.799 532 E CB -0.236 29.464 29.700 0.000 0.000 0.748 532 E HN 0.700 nan 8.360 nan 0.000 0.449 533 T N -1.729 112.816 114.554 -0.015 0.000 3.023 533 T HA -0.076 4.272 4.350 -0.002 0.000 0.266 533 T C 1.345 176.039 174.700 -0.010 0.000 1.093 533 T CA 1.016 63.099 62.100 -0.027 0.000 1.129 533 T CB -0.189 68.641 68.868 -0.064 0.000 0.899 533 T HN 0.023 nan 8.240 nan 0.000 0.491 534 D N 1.485 121.888 120.400 0.005 0.000 2.144 534 D HA -0.017 4.622 4.640 -0.002 0.000 0.199 534 D C 2.450 178.757 176.300 0.010 0.000 0.984 534 D CA 0.899 54.908 54.000 0.015 0.000 0.834 534 D CB -0.188 40.628 40.800 0.027 0.000 0.955 534 D HN 0.450 nan 8.370 nan 0.000 0.465 535 R N -0.208 120.296 120.500 0.006 0.000 2.075 535 R HA -0.015 4.323 4.340 -0.002 0.000 0.232 535 R C 2.503 178.803 176.300 0.001 0.000 1.126 535 R CA 0.550 56.653 56.100 0.005 0.000 0.963 535 R CB -0.316 29.986 30.300 0.004 0.000 0.858 535 R HN 0.207 nan 8.270 nan 0.000 0.435 536 L N 0.621 121.842 121.223 -0.004 0.000 1.994 536 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 536 L C 2.283 179.152 176.870 -0.002 0.000 1.071 536 L CA 1.597 56.434 54.840 -0.006 0.000 0.745 536 L CB -0.369 41.681 42.059 -0.014 0.000 0.892 536 L HN 0.170 nan 8.230 nan 0.000 0.431 537 E N -0.279 119.920 120.200 -0.002 0.000 2.118 537 E HA -0.242 4.107 4.350 -0.002 0.000 0.195 537 E C 2.229 178.829 176.600 0.000 0.000 0.992 537 E CA 1.202 57.602 56.400 0.001 0.000 0.804 537 E CB -0.176 29.525 29.700 0.002 0.000 0.741 537 E HN 0.509 nan 8.360 nan 0.000 0.458 538 A N 0.902 123.723 122.820 0.002 0.000 1.930 538 A HA -0.155 4.163 4.320 -0.002 0.000 0.217 538 A C 2.016 179.600 177.584 0.001 0.000 1.175 538 A CA 1.156 53.194 52.037 0.002 0.000 0.627 538 A CB -0.242 18.762 19.000 0.007 0.000 0.815 538 A HN 0.061 nan 8.150 nan 0.000 0.443 539 R N -0.618 119.884 120.500 0.003 0.000 2.075 539 R HA -0.090 4.249 4.340 -0.002 0.000 0.232 539 R C 2.352 178.655 176.300 0.006 0.000 1.126 539 R CA 1.580 57.683 56.100 0.005 0.000 0.963 539 R CB -0.245 30.058 30.300 0.005 0.000 0.858 539 R HN 0.566 nan 8.270 nan 0.000 0.435 540 K N 1.188 121.591 120.400 0.005 0.000 2.063 540 K HA -0.199 4.120 4.320 -0.002 0.000 0.208 540 K C 2.063 178.667 176.600 0.006 0.000 1.048 540 K CA 1.537 57.830 56.287 0.009 0.000 0.928 540 K CB 0.038 32.545 32.500 0.012 0.000 0.713 540 K HN -0.051 nan 8.250 nan 0.000 0.442 541 K N -0.203 120.193 120.400 -0.007 0.000 2.097 541 K HA -0.094 4.225 4.320 -0.002 0.000 0.205 541 K C 1.926 178.515 176.600 -0.018 0.000 1.050 541 K CA 1.128 57.398 56.287 -0.029 0.000 0.938 541 K CB -0.105 32.368 32.500 -0.046 0.000 0.718 541 K HN 0.227 nan 8.250 nan 0.000 0.442 542 A N 1.496 124.314 122.820 -0.003 0.000 1.930 542 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 542 A C 2.011 179.610 177.584 0.025 0.000 1.175 542 A CA 1.510 53.553 52.037 0.011 0.000 0.627 542 A CB -0.380 18.626 19.000 0.011 0.000 0.815 542 A HN 0.305 nan 8.150 nan 0.000 0.443 543 K N -0.313 120.100 120.400 0.022 0.000 2.057 543 K HA -0.137 4.181 4.320 -0.002 0.000 0.206 543 K C 1.512 178.137 176.600 0.042 0.000 1.050 543 K CA 1.400 57.704 56.287 0.028 0.000 0.935 543 K CB -0.191 32.322 32.500 0.022 0.000 0.715 543 K HN 0.433 nan 8.250 nan 0.000 0.439 544 N N 0.993 119.722 118.700 0.049 0.000 2.331 544 N HA -0.128 4.610 4.740 -0.002 0.000 0.180 544 N C 1.568 177.173 175.510 0.159 0.000 1.019 544 N CA 0.722 53.822 53.050 0.083 0.000 0.881 544 N CB 0.064 38.594 38.487 0.071 0.000 0.972 544 N HN 0.247 nan 8.380 nan 0.000 0.435 545 K N 1.304 121.797 120.400 0.154 0.000 2.148 545 K HA -0.096 4.223 4.320 -0.002 0.000 0.204 545 K C 1.875 178.560 176.600 0.142 0.000 1.050 545 K CA 0.820 57.266 56.287 0.264 0.000 0.942 545 K CB 0.108 32.696 32.500 0.147 0.000 0.724 545 K HN 0.195 nan 8.250 nan 0.000 0.446 546 Q N 0.355 120.204 119.800 0.081 0.000 2.123 546 Q HA -0.108 4.231 4.340 -0.002 0.000 0.199 546 Q C 1.634 177.656 176.000 0.036 0.000 0.966 546 Q CA 0.758 56.589 55.803 0.047 0.000 0.845 546 Q CB 0.126 28.885 28.738 0.034 0.000 0.907 546 Q HN 0.189 nan 8.270 nan 0.000 0.439 547 L N 0.474 121.724 121.223 0.045 0.000 2.675 547 L HA 0.175 4.514 4.340 -0.002 0.000 0.239 547 L C 0.438 177.315 176.870 0.012 0.000 1.151 547 L CA 0.973 55.831 54.840 0.029 0.000 0.905 547 L CB -0.258 41.822 42.059 0.036 0.000 1.057 547 L HN 0.343 nan 8.230 nan 0.000 0.435 548 G N 0.672 109.469 108.800 -0.004 0.000 2.359 548 G HA2 -0.327 3.631 3.960 -0.002 0.000 0.298 548 G HA3 -0.327 3.631 3.960 -0.002 0.000 0.298 548 G C 0.226 175.034 174.900 -0.154 0.000 1.030 548 G CA 0.398 45.438 45.100 -0.100 0.000 1.149 548 G HN 0.841 nan 8.290 nan 0.000 0.512 549 H N -0.317 118.756 119.070 0.004 0.000 3.223 549 H HA 0.050 4.605 4.556 -0.002 0.000 0.287 549 H C 0.080 175.411 175.328 0.005 0.000 0.910 549 H CA 0.892 56.943 56.048 0.004 0.000 1.406 549 H CB 0.729 30.495 29.762 0.006 0.000 1.377 549 H HN 0.567 nan 8.280 nan 0.000 0.556 550 E N 4.297 124.537 120.200 0.068 0.000 2.194 550 E HA 0.074 4.423 4.350 -0.002 0.000 0.284 550 E C 0.146 176.806 176.600 0.100 0.000 1.035 550 E CA -0.453 55.975 56.400 0.047 0.000 0.836 550 E CB 1.204 30.920 29.700 0.027 0.000 1.070 550 E HN 0.655 nan 8.360 nan 0.000 0.401 551 E N 1.884 122.151 120.200 0.113 0.000 2.435 551 E HA -0.030 4.319 4.350 -0.002 0.000 0.256 551 E C -0.443 176.200 176.600 0.072 0.000 1.245 551 E CA -0.288 56.177 56.400 0.108 0.000 0.989 551 E CB 0.480 30.238 29.700 0.097 0.000 0.983 551 E HN 0.349 nan 8.360 nan 0.000 0.480 552 D N 0.340 120.774 120.400 0.056 0.000 2.488 552 D HA -0.096 4.543 4.640 -0.002 0.000 0.238 552 D C 0.248 176.584 176.300 0.061 0.000 1.138 552 D CA 0.541 54.572 54.000 0.053 0.000 0.873 552 D CB 0.271 41.090 40.800 0.031 0.000 1.183 552 D HN 0.411 nan 8.370 nan 0.000 0.458 553 Y N 1.771 122.016 120.300 -0.092 0.000 2.509 553 Y HA 0.006 4.555 4.550 -0.002 0.000 0.293 553 Y C 1.849 177.650 175.900 -0.165 0.000 1.133 553 Y CA 1.170 59.158 58.100 -0.187 0.000 1.283 553 Y CB 0.242 38.462 38.460 -0.400 0.000 1.001 553 Y HN 0.458 nan 8.280 nan 0.000 0.555 554 A N -0.028 122.761 122.820 -0.051 0.000 1.975 554 A HA 0.144 4.463 4.320 -0.002 0.000 0.215 554 A C 0.926 178.496 177.584 -0.023 0.000 1.170 554 A CA 0.012 52.026 52.037 -0.038 0.000 0.656 554 A CB -0.566 18.425 19.000 -0.016 0.000 0.821 554 A HN 0.264 nan 8.150 nan 0.000 0.449 555 L N -0.726 120.489 121.223 -0.014 0.000 2.426 555 L HA 0.414 4.753 4.340 -0.002 0.000 0.271 555 L C 1.555 178.415 176.870 -0.016 0.000 1.169 555 L CA 0.748 55.591 54.840 0.006 0.000 0.836 555 L CB 0.466 42.536 42.059 0.019 0.000 1.112 555 L HN 0.568 nan 8.230 nan 0.000 0.465 556 G N 2.050 110.851 108.800 0.002 0.000 2.234 556 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.235 556 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.235 556 G C 0.399 175.302 174.900 0.005 0.000 0.997 556 G CA 0.119 45.216 45.100 -0.004 0.000 0.623 556 G HN 0.602 nan 8.290 nan 0.000 0.514 557 K N -0.029 120.388 120.400 0.028 0.000 2.247 557 K HA 0.583 4.901 4.320 -0.002 0.000 0.264 557 K C -0.220 176.447 176.600 0.111 0.000 1.034 557 K CA -0.095 56.241 56.287 0.081 0.000 1.129 557 K CB 0.425 33.025 32.500 0.167 0.000 1.646 557 K HN 0.106 nan 8.250 nan 0.000 0.738 558 D N 0.089 120.609 120.400 0.199 0.000 3.008 558 D HA 0.052 4.690 4.640 -0.002 0.000 0.312 558 D C -0.594 175.784 176.300 0.131 0.000 1.361 558 D CA -0.445 53.648 54.000 0.154 0.000 0.858 558 D CB -0.544 40.343 40.800 0.145 0.000 1.098 558 D HN 0.266 nan 8.370 nan 0.000 0.482 559 C N 0.948 120.227 119.300 -0.036 0.000 2.648 559 C HA 0.270 4.728 4.460 -0.002 0.000 0.415 559 C C 1.970 176.882 174.990 -0.129 0.000 1.366 559 C CA -0.388 58.401 59.018 -0.383 0.000 1.756 559 C CB -1.238 26.261 27.740 -0.401 0.000 2.549 559 C HN 0.532 nan 8.230 nan 0.000 0.597 560 I N 4.875 125.377 120.570 -0.113 0.000 2.162 560 I HA -0.007 4.162 4.170 -0.002 0.000 0.238 560 I C 1.073 177.138 176.117 -0.087 0.000 1.076 560 I CA 1.325 62.592 61.300 -0.055 0.000 1.353 560 I CB -0.264 37.721 38.000 -0.026 0.000 1.063 560 I HN 0.828 nan 8.210 nan 0.000 0.408 561 M N -0.911 118.624 119.600 -0.108 0.000 3.084 561 M HA 0.501 4.980 4.480 -0.002 0.000 0.273 561 M C -1.563 174.709 176.300 -0.047 0.000 1.242 561 M CA -0.836 54.351 55.300 -0.188 0.000 0.819 561 M CB 2.552 34.917 32.600 -0.392 0.000 1.625 561 M HN 0.111 nan 8.290 nan 0.000 0.493 562 H N -1.884 117.143 119.070 -0.070 0.000 3.037 562 H HA 0.958 5.513 4.556 -0.002 0.000 0.336 562 H C -0.888 174.357 175.328 -0.139 0.000 1.323 562 H CA -0.346 55.691 56.048 -0.020 0.000 1.159 562 H CB 1.345 31.109 29.762 0.003 0.000 1.882 562 H HN 1.391 nan 8.280 nan 0.000 0.535 563 G N -0.393 108.141 108.800 -0.443 0.000 2.321 563 G HA2 0.251 4.210 3.960 -0.002 0.000 0.298 563 G HA3 0.251 4.210 3.960 -0.002 0.000 0.298 563 G C -1.955 172.493 174.900 -0.753 0.000 1.385 563 G CA -1.270 43.426 45.100 -0.673 0.000 0.856 563 G HN 0.515 nan 8.290 nan 0.000 0.584 564 Y N -0.172 119.960 120.300 -0.281 0.000 2.480 564 Y HA 0.659 5.208 4.550 -0.002 0.000 0.338 564 Y C 1.269 177.124 175.900 -0.074 0.000 1.220 564 Y CA 0.579 58.648 58.100 -0.050 0.000 1.430 564 Y CB 0.940 39.439 38.460 0.065 0.000 1.311 564 Y HN 0.553 nan 8.280 nan 0.000 0.575 565 M N 0.276 119.964 119.600 0.147 0.000 2.880 565 M HA 0.357 4.836 4.480 -0.002 0.000 0.269 565 M C -1.258 175.076 176.300 0.058 0.000 1.248 565 M CA -0.549 54.661 55.300 -0.149 0.000 0.821 565 M CB 2.487 34.586 32.600 -0.836 0.000 1.650 565 M HN 0.407 nan 8.290 nan 0.000 0.479 566 S N 0.999 116.657 115.700 -0.070 0.000 2.519 566 S HA 0.511 4.979 4.470 -0.002 0.000 0.309 566 S C -1.010 173.645 174.600 0.092 0.000 1.100 566 S CA -0.940 57.304 58.200 0.073 0.000 1.059 566 S CB 1.393 64.613 63.200 0.034 0.000 1.008 566 S HN 0.542 nan 8.310 nan 0.000 0.478 567 K N 2.868 123.291 120.400 0.039 0.000 2.240 567 K HA 0.756 5.075 4.320 -0.002 0.000 0.237 567 K C -0.367 176.088 176.600 -0.241 0.000 1.027 567 K CA -0.785 55.351 56.287 -0.251 0.000 0.937 567 K CB 1.094 33.380 32.500 -0.356 0.000 1.171 567 K HN 0.574 nan 8.250 nan 0.000 0.479 577 Q N 2.640 122.557 119.800 0.194 0.000 2.337 577 Q HA 0.396 4.734 4.340 -0.002 0.000 0.264 577 Q C -0.374 175.705 176.000 0.131 0.000 1.007 577 Q CA -1.129 54.745 55.803 0.118 0.000 0.727 577 Q CB 2.521 31.295 28.738 0.060 0.000 1.256 577 Q HN 0.326 nan 8.270 nan 0.000 0.467 578 R N 2.406 122.984 120.500 0.131 0.000 2.442 578 R HA 0.249 4.588 4.340 -0.002 0.000 0.291 578 R C -0.665 175.759 176.300 0.207 0.000 1.069 578 R CA 0.315 56.508 56.100 0.156 0.000 1.022 578 R CB 0.474 30.836 30.300 0.104 0.000 0.976 578 R HN 0.414 nan 8.270 nan 0.000 0.443 579 R N 3.459 124.119 120.500 0.266 0.000 2.707 579 R HA 0.123 4.462 4.340 -0.002 0.000 0.272 579 R C -1.620 174.795 176.300 0.191 0.000 1.011 579 R CA -0.961 55.252 56.100 0.187 0.000 0.893 579 R CB 1.167 31.449 30.300 -0.029 0.000 1.233 579 R HN 0.583 nan 8.270 nan 0.000 0.464 580 Y N 1.495 121.755 120.300 -0.067 0.000 2.365 580 Y HA 0.372 4.920 4.550 -0.002 0.000 0.340 580 Y C -0.568 175.184 175.900 -0.248 0.000 1.016 580 Y CA 0.008 57.965 58.100 -0.238 0.000 1.196 580 Y CB 0.504 38.711 38.460 -0.423 0.000 1.167 580 Y HN 0.416 nan 8.280 nan 0.000 0.509 581 F N 4.687 124.370 119.950 -0.445 0.000 2.432 581 F HA 0.451 4.977 4.527 -0.002 0.000 0.329 581 F C -1.085 174.587 175.800 -0.212 0.000 1.076 581 F CA -0.663 57.268 58.000 -0.114 0.000 1.018 581 F CB 1.077 39.968 39.000 -0.182 0.000 1.201 581 F HN 0.319 nan 8.300 nan 0.000 0.489 582 Y N 2.676 123.291 120.300 0.525 0.000 2.327 582 Y HA 0.420 4.969 4.550 -0.002 0.000 0.325 582 Y C -0.886 175.263 175.900 0.416 0.000 0.999 582 Y CA -1.035 57.323 58.100 0.431 0.000 1.195 582 Y CB 1.548 40.265 38.460 0.429 0.000 1.132 582 Y HN 0.313 nan 8.280 nan 0.000 0.455 583 L N 4.928 126.418 121.223 0.445 0.000 2.260 583 L HA 0.594 4.932 4.340 -0.002 0.000 0.289 583 L C -1.564 175.383 176.870 0.128 0.000 1.057 583 L CA -0.284 54.795 54.840 0.397 0.000 0.811 583 L CB -0.471 41.839 42.059 0.419 0.000 1.184 583 L HN 0.404 nan 8.230 nan 0.000 0.429 584 F N 5.693 125.807 119.950 0.275 0.000 2.509 584 F HA 0.542 5.067 4.527 -0.002 0.000 0.334 584 F C -1.238 174.652 175.800 0.150 0.000 1.060 584 F CA -1.487 56.625 58.000 0.186 0.000 0.997 584 F CB 0.586 39.679 39.000 0.156 0.000 1.271 584 F HN 0.407 nan 8.300 nan 0.000 0.488 585 P HA -0.122 nan 4.420 nan 0.000 0.220 585 P C 0.431 177.844 177.300 0.189 0.000 1.148 585 P CA 1.374 64.595 63.100 0.202 0.000 0.803 585 P CB 0.102 31.895 31.700 0.155 0.000 0.782 586 N N -1.052 117.770 118.700 0.203 0.000 2.171 586 N HA 0.038 4.777 4.740 -0.002 0.000 0.212 586 N C 0.178 175.784 175.510 0.161 0.000 1.184 586 N CA -0.108 53.032 53.050 0.150 0.000 0.888 586 N CB 0.437 38.979 38.487 0.092 0.000 1.038 586 N HN 0.163 nan 8.380 nan 0.000 0.517 587 R N -1.336 119.306 120.500 0.237 0.000 2.728 587 R HA 0.467 4.805 4.340 -0.002 0.000 0.274 587 R C -2.125 174.406 176.300 0.384 0.000 1.032 587 R CA -0.970 55.275 56.100 0.242 0.000 0.866 587 R CB 0.370 30.754 30.300 0.141 0.000 1.263 587 R HN -0.014 nan 8.270 nan 0.000 0.475 588 L N 1.510 122.965 121.223 0.387 0.000 2.401 588 L HA 0.446 4.785 4.340 -0.002 0.000 0.263 588 L C -0.695 176.512 176.870 0.563 0.000 1.004 588 L CA -0.067 55.096 54.840 0.537 0.000 0.881 588 L CB 1.504 43.884 42.059 0.535 0.000 1.219 588 L HN 0.707 nan 8.230 nan 0.000 0.441 589 E N 3.125 123.647 120.200 0.536 0.000 2.322 589 E HA 0.590 4.938 4.350 -0.002 0.000 0.257 589 E C -1.492 175.334 176.600 0.377 0.000 1.155 589 E CA -0.279 56.278 56.400 0.261 0.000 0.936 589 E CB 1.097 30.958 29.700 0.269 0.000 1.130 589 E HN 0.597 nan 8.360 nan 0.000 0.465 590 W N -0.491 120.793 121.300 -0.027 0.000 3.248 590 W HA 0.481 5.139 4.660 -0.002 0.000 0.311 590 W C -1.289 175.144 176.519 -0.143 0.000 1.258 590 W CA -1.013 56.158 57.345 -0.288 0.000 1.191 590 W CB 0.571 29.465 29.460 -0.943 0.000 1.389 590 W HN 0.521 nan 8.180 nan 0.000 0.561 591 R N 1.545 122.116 120.500 0.119 0.000 2.867 591 R HA 0.945 5.283 4.340 -0.002 0.000 0.268 591 R C -0.265 176.109 176.300 0.122 0.000 1.014 591 R CA -0.965 55.175 56.100 0.067 0.000 0.946 591 R CB 1.722 32.033 30.300 0.019 0.000 1.208 591 R HN 0.849 nan 8.270 nan 0.000 0.477 592 G N 0.079 108.933 108.800 0.091 0.000 2.491 592 G HA2 0.258 4.216 3.960 -0.002 0.000 0.327 592 G HA3 0.258 4.216 3.960 -0.002 0.000 0.327 592 G C -0.654 174.295 174.900 0.082 0.000 1.189 592 G CA -0.725 44.438 45.100 0.106 0.000 0.956 592 G HN 0.517 nan 8.290 nan 0.000 0.491 593 E N 0.553 120.812 120.200 0.098 0.000 1.795 593 E HA 0.307 4.656 4.350 -0.002 0.000 0.261 593 E C 0.885 177.512 176.600 0.046 0.000 1.238 593 E CA 0.698 57.147 56.400 0.082 0.000 1.001 593 E CB 0.424 30.187 29.700 0.105 0.000 1.065 593 E HN 0.770 nan 8.360 nan 0.000 0.418 594 G N 2.616 111.431 108.800 0.024 0.000 4.338 594 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.195 594 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.195 594 G C 0.109 175.003 174.900 -0.010 0.000 1.164 594 G CA -0.190 44.916 45.100 0.010 0.000 0.872 594 G HN 0.379 nan 8.290 nan 0.000 0.301 595 E N 1.556 121.743 120.200 -0.022 0.000 2.281 595 E HA 0.784 5.133 4.350 -0.002 0.000 0.257 595 E C 0.041 176.582 176.600 -0.100 0.000 0.971 595 E CA -0.149 56.221 56.400 -0.049 0.000 0.839 595 E CB 1.195 30.869 29.700 -0.044 0.000 1.238 595 E HN 0.817 nan 8.360 nan 0.000 0.412 596 A N 1.012 123.748 122.820 -0.141 0.000 2.386 596 A HA 0.475 4.794 4.320 -0.002 0.000 0.248 596 A C -2.191 175.214 177.584 -0.300 0.000 1.082 596 A CA -1.314 50.548 52.037 -0.291 0.000 0.789 596 A CB -0.649 18.213 19.000 -0.230 0.000 1.025 596 A HN 0.496 nan 8.150 nan 0.000 0.490 597 P HA 0.060 nan 4.420 nan 0.000 0.260 597 P C -0.482 176.653 177.300 -0.275 0.000 1.185 597 P CA 0.661 63.565 63.100 -0.327 0.000 0.763 597 P CB 0.217 31.713 31.700 -0.340 0.000 0.776 598 Q N 0.776 120.421 119.800 -0.258 0.000 2.186 598 Q HA 0.294 4.632 4.340 -0.002 0.000 0.241 598 Q C -0.435 175.383 176.000 -0.303 0.000 0.849 598 Q CA -0.023 55.648 55.803 -0.219 0.000 1.053 598 Q CB 0.459 29.116 28.738 -0.135 0.000 1.146 598 Q HN 0.352 nan 8.270 nan 0.000 0.475 599 S N 0.922 116.296 115.700 -0.543 0.000 2.547 599 S HA 0.722 5.191 4.470 -0.002 0.000 0.270 599 S C -1.469 172.340 174.600 -1.319 0.000 1.150 599 S CA -0.807 56.891 58.200 -0.837 0.000 0.850 599 S CB 1.833 64.483 63.200 -0.917 0.000 1.118 599 S HN 0.325 nan 8.310 nan 0.000 0.461 600 L N -0.353 120.173 121.223 -1.162 0.000 2.999 600 L HA 0.933 5.271 4.340 -0.002 0.000 0.274 600 L C -2.271 174.437 176.870 -0.269 0.000 1.044 600 L CA -0.902 53.428 54.840 -0.850 0.000 0.943 600 L CB 1.175 43.031 42.059 -0.339 0.000 1.522 600 L HN 0.597 nan 8.230 nan 0.000 0.400 601 L N 0.763 122.036 121.223 0.084 0.000 2.438 601 L HA 0.825 5.163 4.340 -0.002 0.000 0.270 601 L C -0.135 176.803 176.870 0.114 0.000 0.972 601 L CA 0.314 55.220 54.840 0.110 0.000 0.831 601 L CB 2.208 44.342 42.059 0.126 0.000 1.273 601 L HN 1.046 nan 8.230 nan 0.000 0.405 602 T N 1.471 116.064 114.554 0.064 0.000 2.882 602 T HA 0.221 4.570 4.350 -0.002 0.000 0.287 602 T C 1.254 176.015 174.700 0.102 0.000 1.014 602 T CA -0.738 61.408 62.100 0.078 0.000 1.049 602 T CB 0.901 69.795 68.868 0.043 0.000 1.001 602 T HN 0.561 nan 8.240 nan 0.000 0.525 603 M N 1.029 120.708 119.600 0.131 0.000 2.229 603 M HA -0.038 4.441 4.480 -0.002 0.000 0.264 603 M C 2.358 178.736 176.300 0.130 0.000 1.063 603 M CA 1.489 56.887 55.300 0.162 0.000 1.114 603 M CB -1.252 31.465 32.600 0.195 0.000 1.387 603 M HN 0.958 nan 8.290 nan 0.000 0.420 604 E N -0.154 120.103 120.200 0.096 0.000 2.338 604 E HA -0.178 4.170 4.350 -0.002 0.000 0.197 604 E C 1.317 177.940 176.600 0.039 0.000 1.007 604 E CA 0.952 57.397 56.400 0.075 0.000 0.849 604 E CB -0.390 29.346 29.700 0.059 0.000 0.774 604 E HN 0.575 nan 8.360 nan 0.000 0.506 605 E N 0.760 120.974 120.200 0.024 0.000 2.208 605 E HA 0.025 4.373 4.350 -0.002 0.000 0.193 605 E C 0.395 176.969 176.600 -0.042 0.000 0.988 605 E CA 0.225 56.622 56.400 -0.004 0.000 0.828 605 E CB 0.070 29.767 29.700 -0.005 0.000 0.763 605 E HN 0.329 nan 8.360 nan 0.000 0.478 606 I N 2.189 122.714 120.570 -0.076 0.000 2.436 606 I HA -0.069 4.099 4.170 -0.002 0.000 0.289 606 I C 1.358 177.251 176.117 -0.373 0.000 1.083 606 I CA 0.209 61.381 61.300 -0.212 0.000 1.372 606 I CB 0.841 38.685 38.000 -0.261 0.000 1.408 606 I HN 0.082 nan 8.210 nan 0.000 0.516 607 Q N 3.853 123.493 119.800 -0.266 0.000 2.089 607 Q HA 0.021 4.360 4.340 -0.002 0.000 0.195 607 Q C 0.312 176.134 176.000 -0.297 0.000 0.963 607 Q CA 0.821 56.497 55.803 -0.213 0.000 0.834 607 Q CB 0.315 29.000 28.738 -0.089 0.000 0.906 607 Q HN 0.835 nan 8.270 nan 0.000 0.452 608 S N -1.133 114.406 115.700 -0.268 0.000 2.547 608 S HA 0.501 4.970 4.470 -0.002 0.000 0.270 608 S C -0.983 173.568 174.600 -0.081 0.000 1.150 608 S CA -1.027 57.085 58.200 -0.147 0.000 0.850 608 S CB 1.930 65.123 63.200 -0.012 0.000 1.118 608 S HN -0.064 nan 8.310 nan 0.000 0.461 609 V N 2.476 122.417 119.914 0.044 0.000 2.350 609 V HA 0.622 4.740 4.120 -0.002 0.000 0.285 609 V C -0.351 175.794 176.094 0.086 0.000 1.014 609 V CA -0.410 61.941 62.300 0.084 0.000 0.831 609 V CB 0.912 32.836 31.823 0.169 0.000 1.000 609 V HN 0.890 nan 8.190 nan 0.000 0.433 610 E N 3.259 123.492 120.200 0.055 0.000 2.355 610 E HA 0.559 4.908 4.350 -0.002 0.000 0.261 610 E C -0.816 175.806 176.600 0.038 0.000 0.943 610 E CA -0.744 55.684 56.400 0.047 0.000 0.806 610 E CB 2.525 32.245 29.700 0.034 0.000 1.286 610 E HN 0.776 nan 8.360 nan 0.000 0.424 611 E N 0.370 120.589 120.200 0.033 0.000 2.176 611 E HA 0.498 4.846 4.350 -0.002 0.000 0.267 611 E C -0.694 175.917 176.600 0.018 0.000 0.893 611 E CA -0.747 55.668 56.400 0.025 0.000 0.761 611 E CB 1.644 31.361 29.700 0.029 0.000 1.133 611 E HN 0.488 nan 8.360 nan 0.000 0.409 612 T N -0.034 114.528 114.554 0.013 0.000 2.843 612 T HA 0.375 4.723 4.350 -0.002 0.000 0.302 612 T C -0.374 174.333 174.700 0.012 0.000 1.232 612 T CA -1.068 61.039 62.100 0.012 0.000 1.009 612 T CB 1.754 70.629 68.868 0.013 0.000 1.254 612 T HN 0.278 nan 8.240 nan 0.000 0.504 613 Q N 0.791 120.598 119.800 0.011 0.000 2.256 613 Q HA 0.551 4.890 4.340 -0.002 0.000 0.254 613 Q C -0.709 175.308 176.000 0.028 0.000 0.916 613 Q CA -0.345 55.464 55.803 0.010 0.000 0.932 613 Q CB 1.844 30.584 28.738 0.004 0.000 1.207 613 Q HN 0.657 nan 8.270 nan 0.000 0.426 614 I N 2.672 123.268 120.570 0.044 0.000 2.476 614 I HA 0.157 4.326 4.170 -0.002 0.000 0.281 614 I C -0.051 176.104 176.117 0.063 0.000 1.040 614 I CA -0.502 60.849 61.300 0.085 0.000 1.094 614 I CB 0.992 39.118 38.000 0.211 0.000 1.219 614 I HN 0.516 nan 8.210 nan 0.000 0.450 615 K N 5.495 125.918 120.400 0.039 0.000 3.257 615 K HA -0.201 4.117 4.320 -0.002 0.000 0.270 615 K C -0.107 176.484 176.600 -0.015 0.000 0.984 615 K CA 0.727 57.024 56.287 0.017 0.000 0.739 615 K CB -0.953 31.569 32.500 0.035 0.000 1.351 615 K HN 0.833 nan 8.250 nan 0.000 0.463 616 E N -2.431 117.757 120.200 -0.020 0.000 2.791 616 E HA -0.277 4.072 4.350 -0.002 0.000 0.271 616 E C -0.020 176.537 176.600 -0.070 0.000 1.044 616 E CA 1.156 57.532 56.400 -0.040 0.000 0.814 616 E CB -0.692 28.981 29.700 -0.045 0.000 1.400 616 E HN 0.473 nan 8.360 nan 0.000 0.423 617 R N 1.634 122.091 120.500 -0.072 0.000 2.621 617 R HA 0.380 4.718 4.340 -0.002 0.000 0.292 617 R C -0.982 175.268 176.300 -0.084 0.000 0.969 617 R CA -0.797 55.236 56.100 -0.112 0.000 0.887 617 R CB 1.238 31.440 30.300 -0.164 0.000 1.180 617 R HN 0.000 nan 8.270 nan 0.000 0.450 618 K N 2.855 123.204 120.400 -0.086 0.000 2.322 618 K HA 0.387 4.705 4.320 -0.002 0.000 0.283 618 K C -1.068 175.495 176.600 -0.062 0.000 1.042 618 K CA -0.187 56.069 56.287 -0.052 0.000 0.958 618 K CB 0.474 32.952 32.500 -0.035 0.000 0.984 618 K HN 0.635 nan 8.250 nan 0.000 0.473 619 C N 3.058 122.337 119.300 -0.033 0.000 3.236 619 C HA 0.489 4.948 4.460 -0.002 0.000 0.312 619 C C -0.943 174.036 174.990 -0.018 0.000 1.374 619 C CA -1.019 57.977 59.018 -0.036 0.000 1.455 619 C CB 1.243 28.989 27.740 0.010 0.000 1.834 619 C HN 0.720 nan 8.230 nan 0.000 0.460 620 L N 2.077 123.279 121.223 -0.036 0.000 2.289 620 L HA 0.532 4.870 4.340 -0.002 0.000 0.285 620 L C -0.673 176.184 176.870 -0.021 0.000 1.049 620 L CA -0.410 54.417 54.840 -0.021 0.000 0.804 620 L CB 1.156 43.194 42.059 -0.037 0.000 1.195 620 L HN 0.425 nan 8.230 nan 0.000 0.428 621 L N 5.479 126.704 121.223 0.004 0.000 2.335 621 L HA 0.408 4.747 4.340 -0.002 0.000 0.268 621 L C -0.557 176.327 176.870 0.024 0.000 1.037 621 L CA -0.008 54.835 54.840 0.006 0.000 0.895 621 L CB 0.661 42.724 42.059 0.008 0.000 1.266 621 L HN 0.429 nan 8.230 nan 0.000 0.439 622 L N 4.793 126.044 121.223 0.046 0.000 2.360 622 L HA 0.306 4.645 4.340 -0.002 0.000 0.276 622 L C 0.239 177.139 176.870 0.050 0.000 1.121 622 L CA -0.102 54.774 54.840 0.061 0.000 0.845 622 L CB 0.335 42.475 42.059 0.135 0.000 1.143 622 L HN 0.487 nan 8.230 nan 0.000 0.452 623 K N 5.674 126.075 120.400 0.001 0.000 2.281 623 K HA 0.490 4.808 4.320 -0.002 0.000 0.272 623 K C -0.517 176.069 176.600 -0.024 0.000 1.048 623 K CA -0.418 55.866 56.287 -0.005 0.000 0.898 623 K CB 1.470 33.959 32.500 -0.017 0.000 1.128 623 K HN 0.466 nan 8.250 nan 0.000 0.460 624 I N 2.253 122.822 120.570 -0.001 0.000 2.581 624 I HA 0.101 4.270 4.170 -0.002 0.000 0.288 624 I C 1.995 178.102 176.117 -0.016 0.000 1.047 624 I CA -0.336 60.956 61.300 -0.014 0.000 1.374 624 I CB 0.831 38.828 38.000 -0.005 0.000 1.423 624 I HN 0.655 nan 8.210 nan 0.000 0.549 625 R N 3.494 123.981 120.500 -0.021 0.000 2.117 625 R HA -0.145 4.194 4.340 -0.002 0.000 0.243 625 R C 1.707 178.004 176.300 -0.005 0.000 1.143 625 R CA 1.622 57.714 56.100 -0.013 0.000 0.968 625 R CB -0.364 29.930 30.300 -0.009 0.000 0.863 625 R HN 0.953 nan 8.270 nan 0.000 0.444 626 G N -1.169 107.629 108.800 -0.003 0.000 3.094 626 G HA2 0.112 4.070 3.960 -0.002 0.000 0.208 626 G HA3 0.112 4.070 3.960 -0.002 0.000 0.208 626 G C 0.832 175.734 174.900 0.003 0.000 1.189 626 G CA 0.451 45.552 45.100 0.000 0.000 0.856 626 G HN 0.571 nan 8.290 nan 0.000 0.510 627 G N -0.484 108.317 108.800 0.002 0.000 2.212 627 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.266 627 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.266 627 G C 0.656 175.560 174.900 0.007 0.000 0.978 627 G CA 0.738 45.839 45.100 0.003 0.000 0.632 627 G HN 0.649 nan 8.290 nan 0.000 0.537 628 K N 0.018 120.426 120.400 0.012 0.000 2.102 628 K HA 0.638 4.957 4.320 -0.002 0.000 0.244 628 K C 0.368 176.990 176.600 0.036 0.000 1.021 628 K CA -0.198 56.103 56.287 0.024 0.000 0.913 628 K CB 0.579 33.097 32.500 0.031 0.000 1.062 628 K HN 0.343 nan 8.250 nan 0.000 0.485 629 Q N 0.652 120.485 119.800 0.056 0.000 2.372 629 Q HA 0.374 4.712 4.340 -0.002 0.000 0.273 629 Q C -1.669 174.423 176.000 0.153 0.000 1.078 629 Q CA -0.602 55.246 55.803 0.074 0.000 0.806 629 Q CB 2.169 30.924 28.738 0.029 0.000 1.332 629 Q HN 0.440 nan 8.270 nan 0.000 0.435 630 F N 2.833 122.755 119.950 -0.047 0.000 2.477 630 F HA 0.553 5.079 4.527 -0.002 0.000 0.335 630 F C -0.979 174.774 175.800 -0.077 0.000 1.130 630 F CA -0.804 57.156 58.000 -0.068 0.000 0.948 630 F CB 0.876 39.843 39.000 -0.054 0.000 1.154 630 F HN 0.400 nan 8.300 nan 0.000 0.439 631 I N 7.084 127.411 120.570 -0.404 0.000 2.354 631 I HA 0.347 4.516 4.170 -0.002 0.000 0.292 631 I C -0.929 174.964 176.117 -0.375 0.000 0.989 631 I CA -0.666 60.461 61.300 -0.288 0.000 1.188 631 I CB 1.658 39.542 38.000 -0.194 0.000 1.342 631 I HN 0.445 nan 8.210 nan 0.000 0.457 632 L N 6.386 127.463 121.223 -0.242 0.000 2.346 632 L HA 0.493 4.832 4.340 -0.002 0.000 0.276 632 L C -0.360 176.419 176.870 -0.152 0.000 1.006 632 L CA -0.499 54.176 54.840 -0.275 0.000 0.817 632 L CB 2.025 43.809 42.059 -0.457 0.000 1.272 632 L HN 0.585 nan 8.230 nan 0.000 0.421 633 Q N 1.222 120.911 119.800 -0.185 0.000 2.241 633 Q HA 0.627 4.966 4.340 -0.002 0.000 0.262 633 Q C -1.471 174.343 176.000 -0.310 0.000 1.014 633 Q CA -0.475 55.127 55.803 -0.336 0.000 0.885 633 Q CB 2.348 30.636 28.738 -0.751 0.000 1.311 633 Q HN 0.706 nan 8.270 nan 0.000 0.461 634 C N 0.812 119.959 119.300 -0.255 0.000 2.971 634 C HA 0.369 4.828 4.460 -0.002 0.000 0.310 634 C C 0.013 174.911 174.990 -0.155 0.000 1.285 634 C CA -0.666 58.245 59.018 -0.178 0.000 1.593 634 C CB 1.692 29.377 27.740 -0.091 0.000 2.076 634 C HN 0.940 nan 8.230 nan 0.000 0.472 635 D N 0.717 121.055 120.400 -0.104 0.000 2.350 635 D HA 0.067 4.706 4.640 -0.002 0.000 0.213 635 D C 0.403 176.657 176.300 -0.077 0.000 1.031 635 D CA 0.722 54.662 54.000 -0.101 0.000 0.861 635 D CB 0.225 40.975 40.800 -0.084 0.000 0.926 635 D HN 0.688 nan 8.370 nan 0.000 0.520 636 S N -0.586 115.079 115.700 -0.058 0.000 2.552 636 S HA 0.199 4.668 4.470 -0.002 0.000 0.272 636 S C 0.008 174.585 174.600 -0.038 0.000 1.150 636 S CA -0.824 57.343 58.200 -0.055 0.000 0.849 636 S CB 2.392 65.532 63.200 -0.100 0.000 1.113 636 S HN -0.347 nan 8.310 nan 0.000 0.458 637 D N 1.546 121.931 120.400 -0.025 0.000 2.097 637 D HA 0.026 4.665 4.640 -0.002 0.000 0.195 637 D C -0.941 175.342 176.300 -0.029 0.000 0.989 637 D CA 1.313 55.312 54.000 -0.000 0.000 0.827 637 D CB -1.634 39.182 40.800 0.028 0.000 0.966 637 D HN 0.418 nan 8.370 nan 0.000 0.456 638 P HA -0.141 nan 4.420 nan 0.000 0.216 638 P C 1.278 178.526 177.300 -0.087 0.000 1.154 638 P CA 1.344 64.251 63.100 -0.321 0.000 0.865 638 P CB -0.001 31.291 31.700 -0.680 0.000 0.789 639 E N -0.988 119.181 120.200 -0.053 0.000 2.051 639 E HA -0.170 4.179 4.350 -0.002 0.000 0.192 639 E C 1.993 178.709 176.600 0.194 0.000 0.991 639 E CA 0.730 57.176 56.400 0.076 0.000 0.799 639 E CB -0.711 29.057 29.700 0.113 0.000 0.748 639 E HN 0.111 nan 8.360 nan 0.000 0.449 640 L N 0.677 121.972 121.223 0.120 0.000 2.012 640 L HA -0.193 4.146 4.340 -0.002 0.000 0.210 640 L C 2.272 179.222 176.870 0.134 0.000 1.073 640 L CA 1.259 56.169 54.840 0.117 0.000 0.748 640 L CB -0.189 41.899 42.059 0.049 0.000 0.891 640 L HN -0.036 nan 8.230 nan 0.000 0.431 641 V N -0.767 119.223 119.914 0.125 0.000 2.343 641 V HA -0.322 3.796 4.120 -0.002 0.000 0.247 641 V C 2.526 178.686 176.094 0.111 0.000 1.051 641 V CA 2.001 64.379 62.300 0.131 0.000 1.036 641 V CB -0.560 31.382 31.823 0.199 0.000 0.654 641 V HN 0.535 nan 8.190 nan 0.000 0.451 642 Q N -1.156 118.708 119.800 0.107 0.000 2.049 642 Q HA -0.151 4.188 4.340 -0.002 0.000 0.198 642 Q C 1.900 177.863 176.000 -0.060 0.000 0.971 642 Q CA 1.949 57.748 55.803 -0.005 0.000 0.833 642 Q CB -0.358 28.336 28.738 -0.072 0.000 0.896 642 Q HN 0.679 nan 8.270 nan 0.000 0.434 643 W N 1.175 122.473 121.300 -0.003 0.000 2.332 643 W HA -0.192 4.467 4.660 -0.002 0.000 0.321 643 W C 2.344 178.867 176.519 0.008 0.000 1.219 643 W CA 1.787 59.120 57.345 -0.021 0.000 1.277 643 W CB -0.409 29.006 29.460 -0.075 0.000 1.161 643 W HN 0.149 nan 8.180 nan 0.000 0.476 644 K N 1.245 121.792 120.400 0.245 0.000 2.032 644 K HA -0.377 3.942 4.320 -0.002 0.000 0.218 644 K C 2.052 178.730 176.600 0.129 0.000 1.054 644 K CA 2.578 58.963 56.287 0.163 0.000 0.941 644 K CB -0.539 32.030 32.500 0.115 0.000 0.720 644 K HN 0.108 nan 8.250 nan 0.000 0.449 645 K N 0.369 120.817 120.400 0.080 0.000 1.978 645 K HA -0.185 4.134 4.320 -0.002 0.000 0.214 645 K C 1.935 178.555 176.600 0.034 0.000 1.049 645 K CA 2.007 58.317 56.287 0.037 0.000 0.939 645 K CB -0.131 32.367 32.500 -0.004 0.000 0.721 645 K HN 0.137 nan 8.250 nan 0.000 0.441 646 E N 0.819 121.023 120.200 0.007 0.000 2.204 646 E HA -0.162 4.187 4.350 -0.002 0.000 0.195 646 E C 2.097 178.749 176.600 0.085 0.000 0.990 646 E CA 0.950 57.345 56.400 -0.008 0.000 0.821 646 E CB -0.110 29.515 29.700 -0.126 0.000 0.750 646 E HN 0.451 nan 8.360 nan 0.000 0.477 647 L N 0.014 121.343 121.223 0.176 0.000 2.049 647 L HA -0.074 4.265 4.340 -0.002 0.000 0.203 647 L C 2.639 179.669 176.870 0.266 0.000 1.074 647 L CA 0.871 55.869 54.840 0.263 0.000 0.749 647 L CB -0.395 41.851 42.059 0.311 0.000 0.907 647 L HN 0.012 nan 8.230 nan 0.000 0.439 648 R N 0.269 120.894 120.500 0.209 0.000 2.119 648 R HA -0.209 4.129 4.340 -0.002 0.000 0.246 648 R C 1.834 178.018 176.300 -0.194 0.000 1.146 648 R CA 1.915 58.051 56.100 0.060 0.000 0.962 648 R CB -0.451 29.889 30.300 0.067 0.000 0.863 648 R HN 0.369 nan 8.270 nan 0.000 0.442 649 D N -0.160 120.197 120.400 -0.071 0.000 2.183 649 D HA -0.050 4.588 4.640 -0.002 0.000 0.203 649 D C 1.681 177.941 176.300 -0.068 0.000 0.969 649 D CA 1.264 55.212 54.000 -0.087 0.000 0.842 649 D CB -0.086 40.690 40.800 -0.040 0.000 0.957 649 D HN 0.269 nan 8.370 nan 0.000 0.484 650 A N 0.314 123.143 122.820 0.014 0.000 1.874 650 A HA -0.136 4.182 4.320 -0.002 0.000 0.214 650 A C 2.135 179.780 177.584 0.102 0.000 1.189 650 A CA 1.286 53.372 52.037 0.082 0.000 0.615 650 A CB -1.046 18.051 19.000 0.162 0.000 0.830 650 A HN 0.425 nan 8.150 nan 0.000 0.443 651 Y N -0.163 120.189 120.300 0.087 0.000 2.263 651 Y HA 0.030 4.579 4.550 -0.002 0.000 0.292 651 Y C 2.143 178.079 175.900 0.061 0.000 1.130 651 Y CA 1.284 59.432 58.100 0.079 0.000 1.179 651 Y CB -0.581 37.929 38.460 0.083 0.000 0.998 651 Y HN 0.136 nan 8.280 nan 0.000 0.532 652 R N 0.250 120.401 120.500 -0.583 0.000 2.081 652 R HA -0.145 4.193 4.340 -0.002 0.000 0.235 652 R C 2.178 178.410 176.300 -0.113 0.000 1.131 652 R CA 1.662 57.537 56.100 -0.374 0.000 0.960 652 R CB -0.256 29.772 30.300 -0.454 0.000 0.856 652 R HN 0.363 nan 8.270 nan 0.000 0.436 653 E N 0.465 120.616 120.200 -0.081 0.000 2.072 653 E HA -0.123 4.226 4.350 -0.002 0.000 0.191 653 E C 1.831 178.445 176.600 0.023 0.000 0.985 653 E CA 1.465 57.855 56.400 -0.018 0.000 0.801 653 E CB -0.081 29.616 29.700 -0.005 0.000 0.750 653 E HN 0.350 nan 8.360 nan 0.000 0.452 654 A N 0.335 123.188 122.820 0.055 0.000 1.877 654 A HA -0.238 4.081 4.320 -0.002 0.000 0.216 654 A C 2.113 179.744 177.584 0.079 0.000 1.186 654 A CA 1.723 53.810 52.037 0.082 0.000 0.620 654 A CB -0.607 18.466 19.000 0.122 0.000 0.822 654 A HN 0.293 nan 8.150 nan 0.000 0.443 655 Q N -1.127 118.734 119.800 0.101 0.000 2.226 655 Q HA -0.230 4.109 4.340 -0.002 0.000 0.204 655 Q C 2.256 178.294 176.000 0.064 0.000 0.975 655 Q CA 1.607 57.470 55.803 0.101 0.000 0.866 655 Q CB -0.104 28.728 28.738 0.156 0.000 0.915 655 Q HN 0.867 nan 8.270 nan 0.000 0.440 656 Q N 0.621 120.447 119.800 0.044 0.000 2.096 656 Q HA -0.099 4.240 4.340 -0.002 0.000 0.197 656 Q C 2.003 178.020 176.000 0.028 0.000 0.964 656 Q CA 0.675 56.496 55.803 0.029 0.000 0.838 656 Q CB 0.036 28.783 28.738 0.015 0.000 0.906 656 Q HN 0.360 nan 8.270 nan 0.000 0.444 657 L N 0.045 121.286 121.223 0.030 0.000 2.079 657 L HA -0.208 4.130 4.340 -0.002 0.000 0.210 657 L C 2.299 179.186 176.870 0.029 0.000 1.081 657 L CA 0.935 55.792 54.840 0.028 0.000 0.752 657 L CB -0.259 41.819 42.059 0.032 0.000 0.896 657 L HN 0.206 nan 8.230 nan 0.000 0.433 658 V N -0.794 119.141 119.914 0.035 0.000 2.358 658 V HA -0.317 3.801 4.120 -0.002 0.000 0.246 658 V C 2.383 178.493 176.094 0.027 0.000 1.047 658 V CA 1.741 64.061 62.300 0.032 0.000 1.035 658 V CB -0.623 31.224 31.823 0.039 0.000 0.658 658 V HN 0.545 nan 8.190 nan 0.000 0.452 659 Q N 0.529 120.346 119.800 0.029 0.000 2.142 659 Q HA -0.355 3.984 4.340 -0.002 0.000 0.213 659 Q C 2.458 178.470 176.000 0.019 0.000 1.004 659 Q CA 2.713 58.530 55.803 0.025 0.000 0.883 659 Q CB -0.223 28.530 28.738 0.025 0.000 0.939 659 Q HN 0.635 nan 8.270 nan 0.000 0.413 660 R N -0.093 120.417 120.500 0.018 0.000 2.081 660 R HA -0.058 4.280 4.340 -0.002 0.000 0.235 660 R C 0.281 176.589 176.300 0.013 0.000 1.131 660 R CA 1.065 57.174 56.100 0.014 0.000 0.960 660 R CB -0.023 30.285 30.300 0.014 0.000 0.856 660 R HN 0.115 nan 8.270 nan 0.000 0.436 661 V N 3.354 123.277 119.914 0.015 0.000 2.415 661 V HA 0.092 4.210 4.120 -0.002 0.000 0.267 661 V C -1.734 174.367 176.094 0.011 0.000 1.042 661 V CA -0.990 61.317 62.300 0.013 0.000 1.000 661 V CB 1.198 33.029 31.823 0.014 0.000 1.015 661 V HN 0.296 nan 8.190 nan 0.000 0.478 662 P HA -0.063 nan 4.420 nan 0.000 0.221 662 P C 1.472 178.776 177.300 0.007 0.000 1.150 662 P CA 0.788 63.892 63.100 0.008 0.000 0.800 662 P CB 0.320 32.024 31.700 0.006 0.000 0.787 663 K N -0.911 119.492 120.400 0.006 0.000 2.296 663 K HA 0.095 4.414 4.320 -0.002 0.000 0.200 663 K C 1.685 178.288 176.600 0.005 0.000 1.048 663 K CA 0.865 57.155 56.287 0.004 0.000 0.966 663 K CB -0.114 32.387 32.500 0.002 0.000 0.754 663 K HN 0.096 nan 8.250 nan 0.000 0.466 664 M N 0.729 120.334 119.600 0.008 0.000 2.421 664 M HA 0.053 4.532 4.480 -0.002 0.000 0.258 664 M C 0.281 176.589 176.300 0.014 0.000 1.122 664 M CA -0.015 55.291 55.300 0.010 0.000 1.078 664 M CB 0.601 33.209 32.600 0.014 0.000 1.380 664 M HN -0.062 nan 8.290 nan 0.000 0.499 665 K N 1.127 121.535 120.400 0.014 0.000 2.102 665 K HA 0.230 4.549 4.320 -0.002 0.000 0.244 665 K C -0.624 175.984 176.600 0.013 0.000 1.021 665 K CA -0.422 55.875 56.287 0.016 0.000 0.913 665 K CB 0.595 33.105 32.500 0.017 0.000 1.062 665 K HN 0.065 nan 8.250 nan 0.000 0.485 666 N N 2.118 120.827 118.700 0.015 0.000 2.437 666 N HA 0.081 4.819 4.740 -0.002 0.000 0.243 666 N C -0.804 174.712 175.510 0.011 0.000 1.041 666 N CA -0.355 52.703 53.050 0.012 0.000 0.940 666 N CB 1.018 39.513 38.487 0.013 0.000 1.133 666 N HN 0.379 nan 8.380 nan 0.000 0.506 667 K N 1.998 122.403 120.400 0.008 0.000 2.098 667 K HA 0.426 4.744 4.320 -0.002 0.000 0.244 667 K C -2.142 174.462 176.600 0.007 0.000 1.014 667 K CA -1.399 54.892 56.287 0.007 0.000 0.917 667 K CB 0.270 32.773 32.500 0.006 0.000 1.072 667 K HN 0.255 nan 8.250 nan 0.000 0.477 668 P HA 0.162 nan 4.420 nan 0.000 0.272 668 P C -0.152 177.150 177.300 0.004 0.000 1.230 668 P CA -0.165 62.938 63.100 0.006 0.000 0.788 668 P CB 0.816 32.520 31.700 0.005 0.000 0.949 669 R N -0.487 120.016 120.500 0.004 0.000 3.749 669 R HA 0.158 4.496 4.340 -0.002 0.000 0.142 669 R C 0.674 176.976 176.300 0.003 0.000 0.750 669 R CA -0.181 55.921 56.100 0.003 0.000 1.004 669 R CB -0.536 29.766 30.300 0.003 0.000 1.509 669 R HN 0.426 nan 8.270 nan 0.000 0.494 670 S N 2.544 118.246 115.700 0.003 0.000 2.576 670 S HA 0.230 4.699 4.470 -0.002 0.000 0.276 670 S C -1.660 172.942 174.600 0.003 0.000 1.339 670 S CA -1.262 56.940 58.200 0.003 0.000 1.039 670 S CB 0.542 63.744 63.200 0.003 0.000 0.902 670 S HN 0.077 nan 8.310 nan 0.000 0.516 671 P HA 0.000 nan 4.420 nan 0.000 0.216 671 P CA 0.000 63.102 63.100 0.003 0.000 0.800 671 P CB 0.000 31.701 31.700 0.002 0.000 0.726