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 2hu4_1_B DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS XSGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.035 176.094 -0.098 0.000 1.182 83 V CA 0.000 62.255 62.300 -0.075 0.000 1.235 83 V CB 0.000 31.797 31.823 -0.043 0.000 1.184 84 K N 2.031 122.398 120.400 -0.055 0.000 2.414 84 K HA 0.377 4.697 4.320 0.000 0.000 0.272 84 K C -0.473 176.114 176.600 -0.023 0.000 0.993 84 K CA -0.138 56.125 56.287 -0.040 0.000 0.964 84 K CB 0.168 32.661 32.500 -0.011 0.000 0.925 84 K HN 0.428 nan 8.250 nan 0.000 0.487 85 L N 2.674 123.894 121.223 -0.005 0.000 2.433 85 L HA 0.148 4.488 4.340 0.000 0.000 0.275 85 L C -0.065 176.827 176.870 0.036 0.000 1.128 85 L CA 0.498 55.352 54.840 0.023 0.000 0.875 85 L CB -0.060 42.029 42.059 0.051 0.000 1.171 85 L HN 0.730 nan 8.230 nan 0.000 0.463 86 A N 3.317 126.156 122.820 0.030 0.000 2.363 86 A HA 0.609 4.929 4.320 0.000 0.000 0.270 86 A C 0.863 178.470 177.584 0.038 0.000 1.121 86 A CA 0.138 52.194 52.037 0.032 0.000 0.800 86 A CB 0.430 19.442 19.000 0.022 0.000 1.052 86 A HN 0.848 nan 8.150 nan 0.000 0.493 87 G N 0.773 109.598 108.800 0.041 0.000 4.222 87 G HA2 0.152 4.112 3.960 0.000 0.000 0.301 87 G HA3 0.152 4.112 3.960 0.000 0.000 0.301 87 G C 0.412 175.321 174.900 0.016 0.000 1.171 87 G CA 0.202 45.324 45.100 0.037 0.000 0.937 87 G HN 0.931 nan 8.290 nan 0.000 0.557 88 N N -0.793 117.914 118.700 0.012 0.000 2.398 88 N HA 0.031 4.771 4.740 0.000 0.000 0.188 88 N C 1.140 176.647 175.510 -0.004 0.000 1.122 88 N CA -0.099 52.951 53.050 0.001 0.000 0.866 88 N CB 0.333 38.822 38.487 0.004 0.000 0.970 88 N HN 0.164 nan 8.380 nan 0.000 0.462 89 S N 0.077 115.778 115.700 0.001 0.000 2.632 89 S HA 0.287 4.757 4.470 0.000 0.000 0.267 89 S C 0.036 174.630 174.600 -0.010 0.000 1.276 89 S CA -0.617 57.580 58.200 -0.004 0.000 0.998 89 S CB 1.256 64.456 63.200 -0.000 0.000 0.953 89 S HN 0.209 nan 8.310 nan 0.000 0.547 90 S N 1.509 117.199 115.700 -0.018 0.000 2.722 90 S HA 0.487 4.957 4.470 0.000 0.000 0.292 90 S C -0.310 174.264 174.600 -0.043 0.000 1.135 90 S CA -0.782 57.400 58.200 -0.031 0.000 1.003 90 S CB 0.572 63.753 63.200 -0.032 0.000 1.067 90 S HN 0.690 nan 8.310 nan 0.000 0.546 91 L N 1.460 122.631 121.223 -0.086 0.000 2.490 91 L HA 0.100 4.440 4.340 0.000 0.000 0.274 91 L C -0.061 176.790 176.870 -0.033 0.000 1.201 91 L CA -0.410 54.351 54.840 -0.133 0.000 0.869 91 L CB -0.070 41.765 42.059 -0.374 0.000 1.123 91 L HN 0.661 nan 8.230 nan 0.000 0.484 92 c N 4.896 123.470 118.600 -0.043 0.000 2.637 92 c HA 0.210 4.780 4.570 0.000 0.000 0.418 92 c C -1.444 172.657 174.090 0.018 0.000 1.319 92 c CA -1.089 55.220 56.329 -0.034 0.000 1.949 92 c CB -0.248 42.201 42.510 -0.103 0.000 2.639 92 c HN 0.534 nan 8.230 nan 0.000 0.594 93 P HA 0.468 nan 4.420 nan 0.000 0.274 93 P C -0.714 176.424 177.300 -0.269 0.000 1.231 93 P CA 0.299 63.325 63.100 -0.124 0.000 0.790 93 P CB 0.651 32.288 31.700 -0.106 0.000 0.951 94 I N -1.860 118.448 120.570 -0.437 0.000 3.102 94 I HA 0.451 4.621 4.170 0.000 0.000 0.310 94 I C -0.117 175.723 176.117 -0.462 0.000 1.246 94 I CA -0.987 60.020 61.300 -0.489 0.000 0.979 94 I CB 2.172 39.729 38.000 -0.738 0.000 1.267 94 I HN 0.022 nan 8.210 nan 0.000 0.451 95 N N 1.040 119.501 118.700 -0.397 0.000 2.460 95 N HA 0.357 5.097 4.740 0.000 0.000 0.193 95 N C 0.328 175.722 175.510 -0.194 0.000 1.080 95 N CA 0.709 53.615 53.050 -0.240 0.000 0.869 95 N CB 1.781 40.175 38.487 -0.155 0.000 1.201 95 N HN 0.916 nan 8.380 nan 0.000 0.457 96 G N -0.596 107.934 108.800 -0.450 0.000 2.706 96 G HA2 0.506 4.466 3.960 0.000 0.000 0.307 96 G HA3 0.506 4.466 3.960 0.000 0.000 0.307 96 G C -2.106 172.314 174.900 -0.799 0.000 1.307 96 G CA -0.705 44.119 45.100 -0.460 0.000 0.790 96 G HN 0.059 nan 8.290 nan 0.000 0.503 97 W N -0.095 121.157 121.300 -0.079 0.000 2.785 97 W HA 0.740 5.400 4.660 0.000 0.000 0.333 97 W C 0.087 176.680 176.519 0.124 0.000 1.062 97 W CA -0.672 56.662 57.345 -0.018 0.000 1.233 97 W CB 2.406 31.876 29.460 0.018 0.000 1.413 97 W HN 0.732 nan 8.180 nan 0.000 0.489 98 A N 2.042 125.059 122.820 0.329 0.000 2.330 98 A HA 0.761 5.081 4.320 0.000 0.000 0.327 98 A C -0.471 177.257 177.584 0.239 0.000 1.155 98 A CA -0.847 51.347 52.037 0.261 0.000 0.803 98 A CB 0.544 19.614 19.000 0.117 0.000 1.208 98 A HN 0.590 nan 8.150 nan 0.000 0.477 99 V N 1.586 121.519 119.914 0.031 0.000 2.599 99 V HA -0.010 4.110 4.120 0.000 0.000 0.300 99 V C 0.715 176.614 176.094 -0.325 0.000 1.034 99 V CA 0.610 62.544 62.300 -0.610 0.000 1.115 99 V CB -0.529 30.823 31.823 -0.785 0.000 0.934 99 V HN 0.975 nan 8.190 nan 0.000 0.485 100 Y N 3.109 123.063 120.300 -0.576 0.000 2.576 100 Y HA 0.319 4.869 4.550 0.000 0.000 0.282 100 Y C 1.256 177.002 175.900 -0.256 0.000 1.139 100 Y CA 0.689 58.619 58.100 -0.282 0.000 1.265 100 Y CB 0.693 39.065 38.460 -0.147 0.000 1.376 100 Y HN 0.853 nan 8.280 nan 0.000 0.511 101 S N -0.050 115.442 115.700 -0.347 0.000 2.596 101 S HA 0.572 5.042 4.470 0.000 0.000 0.270 101 S C -1.461 172.984 174.600 -0.257 0.000 1.155 101 S CA -0.990 57.017 58.200 -0.322 0.000 0.827 101 S CB 2.823 65.858 63.200 -0.276 0.000 1.130 101 S HN 0.179 nan 8.310 nan 0.000 0.467 102 K N 0.464 120.764 120.400 -0.168 0.000 2.571 102 K HA 0.331 4.651 4.320 0.000 0.000 0.252 102 K C -1.141 175.428 176.600 -0.051 0.000 0.956 102 K CA -0.378 55.860 56.287 -0.082 0.000 0.822 102 K CB 1.302 33.775 32.500 -0.046 0.000 1.286 102 K HN 0.761 nan 8.250 nan 0.000 0.439 103 D N 2.464 122.846 120.400 -0.030 0.000 2.367 103 D HA -0.014 4.626 4.640 0.000 0.000 0.207 103 D C -0.190 176.098 176.300 -0.019 0.000 1.034 103 D CA 0.098 54.074 54.000 -0.040 0.000 0.861 103 D CB -0.229 40.533 40.800 -0.063 0.000 0.943 103 D HN 0.758 nan 8.370 nan 0.000 0.515 104 N N -0.164 118.546 118.700 0.016 0.000 2.678 104 N HA -0.283 4.457 4.740 0.000 0.000 0.249 104 N C 0.865 176.385 175.510 0.018 0.000 1.119 104 N CA 0.719 53.790 53.050 0.035 0.000 0.718 104 N CB -1.112 37.396 38.487 0.035 0.000 1.060 104 N HN 0.400 nan 8.380 nan 0.000 0.552 105 S N -0.492 115.203 115.700 -0.008 0.000 2.383 105 S HA -0.165 4.305 4.470 0.000 0.000 0.229 105 S C 1.535 176.133 174.600 -0.003 0.000 1.030 105 S CA 1.223 59.400 58.200 -0.039 0.000 1.002 105 S CB -0.172 62.975 63.200 -0.089 0.000 0.829 105 S HN 0.493 nan 8.310 nan 0.000 0.467 106 I N 1.181 121.783 120.570 0.053 0.000 2.406 106 I HA -0.042 4.128 4.170 0.000 0.000 0.249 106 I C 3.035 179.281 176.117 0.216 0.000 1.122 106 I CA 0.835 62.208 61.300 0.120 0.000 1.431 106 I CB -0.248 37.841 38.000 0.148 0.000 1.087 106 I HN 0.205 nan 8.210 nan 0.000 0.424 107 R N 0.910 121.507 120.500 0.160 0.000 2.066 107 R HA -0.069 4.271 4.340 0.000 0.000 0.232 107 R C 2.341 178.674 176.300 0.054 0.000 1.131 107 R CA 1.397 57.584 56.100 0.145 0.000 0.955 107 R CB -0.312 30.049 30.300 0.103 0.000 0.851 107 R HN 0.277 nan 8.270 nan 0.000 0.432 108 I N -0.018 120.565 120.570 0.022 0.000 2.179 108 I HA -0.181 3.989 4.170 0.000 0.000 0.242 108 I C 2.412 178.494 176.117 -0.058 0.000 1.088 108 I CA 1.518 62.803 61.300 -0.025 0.000 1.357 108 I CB -0.660 37.320 38.000 -0.033 0.000 1.051 108 I HN 0.332 nan 8.210 nan 0.000 0.409 109 G N -0.385 108.390 108.800 -0.043 0.000 2.586 109 G HA2 -0.257 3.703 3.960 0.000 0.000 0.215 109 G HA3 -0.257 3.703 3.960 0.000 0.000 0.215 109 G C 1.685 176.516 174.900 -0.114 0.000 1.128 109 G CA 0.961 46.015 45.100 -0.076 0.000 0.774 109 G HN 0.394 nan 8.290 nan 0.000 0.543 110 S N -0.365 115.225 115.700 -0.183 0.000 2.419 110 S HA -0.091 4.379 4.470 0.000 0.000 0.235 110 S C 2.059 176.432 174.600 -0.378 0.000 1.019 110 S CA 2.104 59.964 58.200 -0.567 0.000 0.982 110 S CB -0.123 62.687 63.200 -0.650 0.000 0.789 110 S HN 0.619 nan 8.310 nan 0.000 0.490 111 K N -0.809 119.459 120.400 -0.220 0.000 2.412 111 K HA 0.276 4.596 4.320 0.000 0.000 0.201 111 K C 1.043 177.573 176.600 -0.117 0.000 1.275 111 K CA 0.501 56.694 56.287 -0.156 0.000 0.910 111 K CB -0.229 32.198 32.500 -0.120 0.000 1.346 111 K HN 0.269 nan 8.250 nan 0.000 0.490 112 G N 1.303 110.040 108.800 -0.105 0.000 2.594 112 G HA2 0.045 4.005 3.960 0.000 0.000 0.243 112 G HA3 0.045 4.005 3.960 0.000 0.000 0.243 112 G C -0.818 174.004 174.900 -0.131 0.000 1.229 112 G CA -0.323 44.723 45.100 -0.090 0.000 0.843 112 G HN 0.321 nan 8.290 nan 0.000 0.578 113 D N 0.705 121.017 120.400 -0.147 0.000 2.483 113 D HA 0.252 4.892 4.640 0.000 0.000 0.220 113 D C -0.101 175.946 176.300 -0.422 0.000 1.173 113 D CA 0.195 54.031 54.000 -0.273 0.000 0.964 113 D CB 1.032 41.654 40.800 -0.296 0.000 1.046 113 D HN -0.008 nan 8.370 nan 0.000 0.517 114 V N 2.631 122.344 119.914 -0.335 0.000 2.448 114 V HA 0.293 4.413 4.120 0.000 0.000 0.295 114 V C 0.451 176.374 176.094 -0.286 0.000 1.025 114 V CA -0.988 61.111 62.300 -0.335 0.000 0.859 114 V CB 0.999 32.700 31.823 -0.203 0.000 0.988 114 V HN 0.281 nan 8.190 nan 0.000 0.431 115 F N 2.945 122.755 119.950 -0.232 0.000 2.629 115 F HA 0.089 4.616 4.527 0.000 0.000 0.369 115 F C 0.760 176.452 175.800 -0.181 0.000 1.125 115 F CA 0.347 58.231 58.000 -0.193 0.000 1.330 115 F CB 0.749 39.625 39.000 -0.207 0.000 1.071 115 F HN 0.406 nan 8.300 nan 0.000 0.595 116 V N 6.650 126.635 119.914 0.119 0.000 2.461 116 V HA 0.579 4.699 4.120 0.000 0.000 0.275 116 V C -0.274 175.852 176.094 0.053 0.000 1.047 116 V CA -0.317 62.006 62.300 0.039 0.000 0.955 116 V CB 0.382 32.234 31.823 0.049 0.000 0.988 116 V HN 0.649 nan 8.190 nan 0.000 0.471 117 I N 4.270 124.850 120.570 0.017 0.000 3.466 117 I HA 0.877 5.047 4.170 0.000 0.000 0.311 117 I C -0.616 175.517 176.117 0.027 0.000 1.155 117 I CA -1.254 60.050 61.300 0.007 0.000 0.959 117 I CB 2.383 40.326 38.000 -0.095 0.000 1.332 117 I HN 0.565 nan 8.210 nan 0.000 0.483 118 R N 0.495 121.012 120.500 0.029 0.000 2.741 118 R HA 0.255 4.595 4.340 0.000 0.000 0.276 118 R C -1.420 174.888 176.300 0.014 0.000 1.028 118 R CA -0.850 55.250 56.100 -0.001 0.000 0.865 118 R CB 1.135 31.424 30.300 -0.017 0.000 1.268 118 R HN 0.854 nan 8.270 nan 0.000 0.475 119 E N -0.012 120.160 120.200 -0.046 0.000 2.228 119 E HA -0.161 4.189 4.350 0.000 0.000 0.213 119 E C -2.397 174.258 176.600 0.092 0.000 1.282 119 E CA 0.700 57.137 56.400 0.062 0.000 0.707 119 E CB -1.161 28.623 29.700 0.140 0.000 1.150 119 E HN 0.280 nan 8.360 nan 0.000 0.362 120 P HA 0.492 nan 4.420 nan 0.000 0.282 120 P C -0.424 176.452 177.300 -0.707 0.000 1.259 120 P CA -0.511 62.446 63.100 -0.238 0.000 0.826 120 P CB 0.743 32.330 31.700 -0.189 0.000 1.064 121 F N -1.021 118.487 119.950 -0.736 0.000 2.688 121 F HA 0.584 5.111 4.527 0.000 0.000 0.308 121 F C -1.690 173.813 175.800 -0.494 0.000 1.117 121 F CA -1.311 56.027 58.000 -1.103 0.000 0.976 121 F CB 0.499 39.195 39.000 -0.507 0.000 1.291 121 F HN 0.046 nan 8.300 nan 0.000 0.439 122 I N 2.408 122.813 120.570 -0.276 0.000 2.437 122 I HA 0.639 4.810 4.170 0.000 0.000 0.298 122 I C -0.227 175.908 176.117 0.031 0.000 0.984 122 I CA -0.720 60.413 61.300 -0.278 0.000 1.214 122 I CB 1.864 39.314 38.000 -0.917 0.000 1.365 122 I HN 0.751 nan 8.210 nan 0.000 0.469 123 S N 4.546 120.362 115.700 0.194 0.000 2.546 123 S HA 0.592 5.062 4.470 0.000 0.000 0.272 123 S C -1.180 173.737 174.600 0.529 0.000 1.140 123 S CA -0.480 57.988 58.200 0.448 0.000 0.920 123 S CB 1.137 64.689 63.200 0.587 0.000 1.083 123 S HN 0.680 nan 8.310 nan 0.000 0.476 124 c N 3.080 121.937 118.600 0.429 0.000 2.529 124 c HA 0.888 5.459 4.570 0.000 0.000 0.329 124 c C 1.151 175.275 174.090 0.057 0.000 1.194 124 c CA -0.614 55.895 56.329 0.301 0.000 1.779 124 c CB 1.075 43.725 42.510 0.234 0.000 2.322 124 c HN 1.009 nan 8.230 nan 0.000 0.500 125 S N 0.926 116.537 115.700 -0.147 0.000 2.448 125 S HA 0.281 4.751 4.470 0.000 0.000 0.271 125 S C 0.870 175.340 174.600 -0.217 0.000 1.145 125 S CA -0.028 57.817 58.200 -0.593 0.000 1.022 125 S CB -0.067 62.441 63.200 -1.153 0.000 1.202 125 S HN 0.922 nan 8.310 nan 0.000 0.479 126 H N -0.149 118.714 119.070 -0.346 0.000 2.551 126 H HA 0.441 4.997 4.556 0.000 0.000 0.271 126 H C 0.973 176.246 175.328 -0.091 0.000 0.984 126 H CA 0.084 56.055 56.048 -0.128 0.000 1.164 126 H CB -0.348 29.376 29.762 -0.063 0.000 1.437 126 H HN 0.458 nan 8.280 nan 0.000 0.550 127 L N -0.016 120.906 121.223 -0.501 0.000 2.758 127 L HA 0.243 4.583 4.340 0.000 0.000 0.234 127 L C 0.310 177.088 176.870 -0.152 0.000 1.049 127 L CA 0.126 54.755 54.840 -0.352 0.000 0.908 127 L CB 0.652 42.432 42.059 -0.466 0.000 1.362 127 L HN 0.201 nan 8.230 nan 0.000 0.499 128 E N -1.109 119.023 120.200 -0.112 0.000 2.446 128 E HA 0.475 4.825 4.350 0.000 0.000 0.276 128 E C -1.617 175.040 176.600 0.095 0.000 0.969 128 E CA -0.885 55.519 56.400 0.006 0.000 0.800 128 E CB 2.174 31.883 29.700 0.015 0.000 1.341 128 E HN -0.133 nan 8.360 nan 0.000 0.460 129 c N 0.894 119.570 118.600 0.127 0.000 2.379 129 c HA 0.638 5.208 4.570 0.000 0.000 0.323 129 c C -0.179 173.968 174.090 0.095 0.000 1.262 129 c CA -0.493 55.938 56.329 0.170 0.000 1.581 129 c CB 0.338 42.973 42.510 0.207 0.000 2.221 129 c HN 0.602 nan 8.230 nan 0.000 0.497 130 R N 0.909 121.465 120.500 0.094 0.000 2.902 130 R HA 0.738 5.078 4.340 0.000 0.000 0.258 130 R C -0.827 175.349 176.300 -0.206 0.000 1.071 130 R CA -0.524 55.495 56.100 -0.135 0.000 1.024 130 R CB 1.756 31.823 30.300 -0.388 0.000 1.184 130 R HN 0.620 nan 8.270 nan 0.000 0.492 131 T N 1.841 116.179 114.554 -0.360 0.000 2.786 131 T HA 0.460 4.811 4.350 0.000 0.000 0.283 131 T C -0.947 173.396 174.700 -0.595 0.000 0.992 131 T CA -0.410 61.493 62.100 -0.327 0.000 0.954 131 T CB 0.322 69.098 68.868 -0.153 0.000 0.934 131 T HN 0.169 nan 8.240 nan 0.000 0.440 132 F N 3.512 122.955 119.950 -0.845 0.000 2.432 132 F HA 0.815 5.342 4.527 0.000 0.000 0.329 132 F C -0.048 175.196 175.800 -0.926 0.000 1.076 132 F CA -1.178 56.119 58.000 -1.171 0.000 1.018 132 F CB 1.163 39.211 39.000 -1.588 0.000 1.201 132 F HN 0.575 nan 8.300 nan 0.000 0.489 133 F N -0.929 118.785 119.950 -0.393 0.000 2.741 133 F HA 0.653 5.180 4.527 0.000 0.000 0.311 133 F C -2.191 173.504 175.800 -0.175 0.000 1.149 133 F CA -1.674 56.168 58.000 -0.265 0.000 0.930 133 F CB 1.051 39.904 39.000 -0.244 0.000 1.312 133 F HN 0.165 nan 8.300 nan 0.000 0.450 134 L N 2.612 123.926 121.223 0.151 0.000 2.276 134 L HA 0.532 4.872 4.340 0.000 0.000 0.286 134 L C 0.263 177.203 176.870 0.117 0.000 1.024 134 L CA -0.669 54.222 54.840 0.086 0.000 0.826 134 L CB 1.714 43.834 42.059 0.102 0.000 1.211 134 L HN 0.973 nan 8.230 nan 0.000 0.422 135 T N -0.815 113.772 114.554 0.054 0.000 2.788 135 T HA 0.167 4.517 4.350 0.000 0.000 0.280 135 T C 0.533 175.250 174.700 0.028 0.000 0.984 135 T CA -0.578 61.504 62.100 -0.030 0.000 0.972 135 T CB 1.446 70.106 68.868 -0.348 0.000 1.039 135 T HN 0.445 nan 8.240 nan 0.000 0.530 136 Q N -0.283 119.551 119.800 0.056 0.000 2.179 136 Q HA 0.245 4.585 4.340 0.000 0.000 0.213 136 Q C 1.315 177.388 176.000 0.122 0.000 0.833 136 Q CA 0.498 56.365 55.803 0.107 0.000 0.990 136 Q CB 0.478 29.286 28.738 0.117 0.000 1.132 136 Q HN 1.225 nan 8.270 nan 0.000 0.493 137 G N 1.202 110.055 108.800 0.088 0.000 2.305 137 G HA2 -0.175 3.785 3.960 0.000 0.000 0.287 137 G HA3 -0.175 3.785 3.960 0.000 0.000 0.287 137 G C 0.084 175.048 174.900 0.107 0.000 1.036 137 G CA 0.567 45.729 45.100 0.104 0.000 0.887 137 G HN 0.594 nan 8.290 nan 0.000 0.505 138 A N -1.277 121.651 122.820 0.180 0.000 2.610 138 A HA 0.845 5.165 4.320 0.000 0.000 0.291 138 A C -0.515 177.152 177.584 0.139 0.000 1.086 138 A CA -0.714 51.401 52.037 0.131 0.000 0.677 138 A CB 1.068 20.142 19.000 0.123 0.000 1.278 138 A HN 0.835 nan 8.150 nan 0.000 0.414 139 L N 0.693 121.930 121.223 0.024 0.000 2.334 139 L HA 0.543 4.883 4.340 0.000 0.000 0.270 139 L C -0.231 176.577 176.870 -0.103 0.000 1.018 139 L CA -0.833 53.961 54.840 -0.078 0.000 0.811 139 L CB 1.314 43.276 42.059 -0.161 0.000 1.271 139 L HN 0.660 nan 8.230 nan 0.000 0.443 140 L N 1.832 122.955 121.223 -0.167 0.000 2.467 140 L HA 0.065 4.406 4.340 0.000 0.000 0.270 140 L C 0.988 177.739 176.870 -0.199 0.000 1.205 140 L CA 0.216 54.896 54.840 -0.267 0.000 0.828 140 L CB -0.003 41.902 42.059 -0.258 0.000 1.101 140 L HN 0.751 nan 8.230 nan 0.000 0.479 141 N N 0.333 118.893 118.700 -0.233 0.000 2.778 141 N HA -0.212 4.528 4.740 0.000 0.000 0.249 141 N C -0.551 174.917 175.510 -0.069 0.000 1.069 141 N CA 1.210 54.200 53.050 -0.100 0.000 0.831 141 N CB -0.856 37.573 38.487 -0.097 0.000 1.142 141 N HN 0.802 nan 8.380 nan 0.000 0.573 142 D N -0.411 119.948 120.400 -0.068 0.000 2.269 142 D HA 0.317 4.957 4.640 0.000 0.000 0.244 142 D C 1.376 177.669 176.300 -0.012 0.000 0.992 142 D CA -0.415 53.575 54.000 -0.016 0.000 0.894 142 D CB 0.949 41.765 40.800 0.026 0.000 1.248 142 D HN 0.170 nan 8.370 nan 0.000 0.468 143 K N 1.535 121.905 120.400 -0.051 0.000 2.152 143 K HA -0.213 4.107 4.320 0.000 0.000 0.206 143 K C 1.005 177.515 176.600 -0.149 0.000 1.048 143 K CA 1.208 57.424 56.287 -0.117 0.000 0.933 143 K CB -0.256 32.121 32.500 -0.205 0.000 0.721 143 K HN 0.497 nan 8.250 nan 0.000 0.447 144 H N 0.481 119.552 119.070 0.000 0.000 2.567 144 H HA 0.012 4.568 4.556 0.000 0.000 0.276 144 H C 1.537 176.878 175.328 0.022 0.000 1.016 144 H CA 0.975 57.023 56.048 0.000 0.000 1.186 144 H CB 0.306 30.056 29.762 -0.020 0.000 1.351 144 H HN 0.369 nan 8.280 nan 0.000 0.605 145 S N -0.219 115.543 115.700 0.104 0.000 2.558 145 S HA -0.050 4.420 4.470 0.000 0.000 0.217 145 S C 1.332 176.025 174.600 0.154 0.000 0.975 145 S CA -0.179 58.083 58.200 0.104 0.000 0.912 145 S CB -0.064 63.141 63.200 0.008 0.000 0.776 145 S HN 0.482 nan 8.310 nan 0.000 0.526 146 N N 0.728 119.496 118.700 0.113 0.000 1.666 146 N HA -0.170 4.570 4.740 0.000 0.000 0.155 146 N C 1.070 176.650 175.510 0.117 0.000 0.760 146 N CA 1.174 54.289 53.050 0.108 0.000 0.870 146 N CB -0.547 37.970 38.487 0.050 0.000 1.109 146 N HN 0.389 nan 8.380 nan 0.000 1.009 147 G N -0.257 108.589 108.800 0.076 0.000 3.211 147 G HA2 -0.058 3.902 3.960 0.000 0.000 0.235 147 G HA3 -0.058 3.902 3.960 0.000 0.000 0.235 147 G C 0.594 175.535 174.900 0.069 0.000 1.032 147 G CA 0.540 45.674 45.100 0.058 0.000 1.819 147 G HN 0.644 nan 8.290 nan 0.000 0.590 148 T N -2.316 112.300 114.554 0.104 0.000 3.722 148 T HA 0.129 4.479 4.350 0.000 0.000 0.247 148 T C 1.339 176.082 174.700 0.071 0.000 1.004 148 T CA 0.079 62.242 62.100 0.105 0.000 0.947 148 T CB 0.248 69.204 68.868 0.147 0.000 1.114 148 T HN 0.046 nan 8.240 nan 0.000 0.633 149 V N 0.381 120.316 119.914 0.035 0.000 3.621 149 V HA 0.081 4.201 4.120 0.000 0.000 0.263 149 V C 2.410 178.505 176.094 0.003 0.000 1.272 149 V CA 0.319 62.621 62.300 0.005 0.000 1.080 149 V CB -0.033 31.773 31.823 -0.028 0.000 0.816 149 V HN 0.638 nan 8.190 nan 0.000 0.451 150 K N 0.349 120.753 120.400 0.007 0.000 2.286 150 K HA -0.249 4.071 4.320 0.000 0.000 0.203 150 K C 0.831 177.411 176.600 -0.034 0.000 1.045 150 K CA 1.726 58.005 56.287 -0.013 0.000 0.935 150 K CB -0.153 32.343 32.500 -0.007 0.000 0.737 150 K HN 0.387 nan 8.250 nan 0.000 0.460 151 D N 0.041 120.433 120.400 -0.013 0.000 3.773 151 D HA -0.183 4.457 4.640 0.000 0.000 0.209 151 D C -0.317 175.948 176.300 -0.058 0.000 1.054 151 D CA 1.789 55.775 54.000 -0.023 0.000 2.299 151 D CB -0.681 40.087 40.800 -0.053 0.000 1.196 151 D HN 0.379 nan 8.370 nan 0.000 0.473 152 R N 0.897 121.275 120.500 -0.203 0.000 2.437 152 R HA 0.636 4.976 4.340 0.000 0.000 0.310 152 R C -0.240 175.917 176.300 -0.238 0.000 0.955 152 R CA -0.168 55.690 56.100 -0.403 0.000 0.851 152 R CB 2.228 31.882 30.300 -1.076 0.000 1.161 152 R HN 0.332 nan 8.270 nan 0.000 0.446 153 S N 1.417 117.080 115.700 -0.060 0.000 2.625 153 S HA 0.450 4.920 4.470 0.000 0.000 0.271 153 S C -2.469 172.135 174.600 0.007 0.000 1.161 153 S CA -1.266 56.912 58.200 -0.037 0.000 0.820 153 S CB 2.190 65.397 63.200 0.012 0.000 1.137 153 S HN 0.234 nan 8.310 nan 0.000 0.470 154 P HA 0.116 nan 4.420 nan 0.000 0.225 154 P C 0.406 177.582 177.300 -0.207 0.000 1.156 154 P CA 1.062 64.038 63.100 -0.207 0.000 0.787 154 P CB -0.223 31.277 31.700 -0.332 0.000 0.802 155 H N -2.424 116.706 119.070 0.100 0.000 2.548 155 H HA 0.189 4.745 4.556 0.000 0.000 0.265 155 H C 0.904 176.283 175.328 0.086 0.000 0.969 155 H CA -0.366 55.730 56.048 0.080 0.000 1.155 155 H CB -0.078 29.723 29.762 0.063 0.000 1.394 155 H HN -0.117 nan 8.280 nan 0.000 0.570 156 R N 2.370 122.971 120.500 0.170 0.000 2.489 156 R HA 0.089 4.429 4.340 0.000 0.000 0.287 156 R C -0.341 176.022 176.300 0.105 0.000 1.053 156 R CA 0.395 56.586 56.100 0.152 0.000 1.036 156 R CB 0.207 30.638 30.300 0.218 0.000 0.966 156 R HN 0.328 nan 8.270 nan 0.000 0.432 157 T N 1.399 115.980 114.554 0.045 0.000 2.916 157 T HA 0.434 4.784 4.350 0.000 0.000 0.305 157 T C -1.105 173.504 174.700 -0.151 0.000 1.119 157 T CA -1.040 61.052 62.100 -0.013 0.000 1.008 157 T CB 1.276 70.212 68.868 0.114 0.000 1.129 157 T HN 0.363 nan 8.240 nan 0.000 0.480 158 L N 2.845 123.898 121.223 -0.284 0.000 2.264 158 L HA 0.767 5.107 4.340 0.000 0.000 0.289 158 L C -0.769 175.737 176.870 -0.606 0.000 1.044 158 L CA -0.267 54.347 54.840 -0.377 0.000 0.807 158 L CB 0.300 42.188 42.059 -0.285 0.000 1.192 158 L HN 0.821 nan 8.230 nan 0.000 0.425 159 M N 3.494 122.609 119.600 -0.808 0.000 2.667 159 M HA 0.654 5.134 4.480 0.000 0.000 0.286 159 M C -0.596 174.800 176.300 -1.507 0.000 1.270 159 M CA -0.672 54.073 55.300 -0.925 0.000 0.826 159 M CB 2.578 34.839 32.600 -0.564 0.000 1.743 159 M HN 0.676 nan 8.290 nan 0.000 0.460 160 S N 0.134 115.182 115.700 -1.086 0.000 2.588 160 S HA 0.930 5.400 4.470 0.000 0.000 0.275 160 S C -0.904 173.391 174.600 -0.509 0.000 1.130 160 S CA -0.784 56.731 58.200 -1.141 0.000 0.855 160 S CB 1.933 64.099 63.200 -1.723 0.000 1.116 160 S HN 1.127 nan 8.310 nan 0.000 0.472 161 C N -1.298 117.798 119.300 -0.341 0.000 3.288 161 C HA 0.848 5.308 4.460 0.000 0.000 0.318 161 C C -3.082 171.798 174.990 -0.184 0.000 1.356 161 C CA -1.847 57.080 59.018 -0.152 0.000 1.359 161 C CB 0.947 28.702 27.740 0.024 0.000 1.688 161 C HN 0.754 nan 8.230 nan 0.000 0.467 162 P HA 0.250 nan 4.420 nan 0.000 0.269 162 P C 0.279 177.519 177.300 -0.101 0.000 1.215 162 P CA 0.507 63.543 63.100 -0.108 0.000 0.780 162 P CB 0.448 32.103 31.700 -0.074 0.000 0.898 163 V N -1.379 118.481 119.914 -0.090 0.000 2.788 163 V HA 0.350 4.470 4.120 0.000 0.000 0.307 163 V C 1.597 177.617 176.094 -0.123 0.000 1.069 163 V CA 0.642 62.885 62.300 -0.096 0.000 1.173 163 V CB -0.878 30.916 31.823 -0.048 0.000 0.925 163 V HN 1.026 nan 8.190 nan 0.000 0.492 164 G N 2.321 111.048 108.800 -0.121 0.000 2.253 164 G HA2 -0.222 3.738 3.960 0.000 0.000 0.251 164 G HA3 -0.222 3.738 3.960 0.000 0.000 0.251 164 G C 0.067 174.909 174.900 -0.097 0.000 0.998 164 G CA 0.406 45.430 45.100 -0.126 0.000 0.621 164 G HN 0.923 nan 8.290 nan 0.000 0.524 165 E N 0.649 120.795 120.200 -0.089 0.000 2.319 165 E HA 0.607 4.957 4.350 0.000 0.000 0.268 165 E C 0.555 177.101 176.600 -0.090 0.000 1.050 165 E CA -0.130 56.223 56.400 -0.077 0.000 0.878 165 E CB 1.299 30.959 29.700 -0.066 0.000 1.066 165 E HN 0.614 nan 8.360 nan 0.000 0.406 166 A N 3.653 126.418 122.820 -0.090 0.000 2.409 166 A HA 0.259 4.579 4.320 0.000 0.000 0.262 166 A C -2.112 175.378 177.584 -0.157 0.000 1.113 166 A CA -1.342 50.621 52.037 -0.123 0.000 0.790 166 A CB -0.100 18.837 19.000 -0.105 0.000 1.046 166 A HN 0.335 nan 8.150 nan 0.000 0.496 167 P HA 0.111 nan 4.420 nan 0.000 0.275 167 P C -0.030 177.169 177.300 -0.170 0.000 1.276 167 P CA 0.435 63.370 63.100 -0.275 0.000 0.782 167 P CB 1.383 32.520 31.700 -0.938 0.000 0.851 168 S N 3.559 119.167 115.700 -0.153 0.000 4.413 168 S HA 0.241 4.711 4.470 0.000 0.000 0.213 168 S C 0.739 175.079 174.600 -0.432 0.000 1.104 168 S CA -0.256 57.655 58.200 -0.483 0.000 1.790 168 S CB -0.703 62.249 63.200 -0.415 0.000 0.973 168 S HN 0.449 nan 8.310 nan 0.000 0.757 169 Y N 1.898 122.153 120.300 -0.076 0.000 4.746 169 Y HA -0.309 4.241 4.550 0.000 0.000 0.240 169 Y C 1.245 177.131 175.900 -0.024 0.000 0.965 169 Y CA 1.164 59.234 58.100 -0.049 0.000 2.063 169 Y CB -1.486 36.929 38.460 -0.075 0.000 1.491 169 Y HN 0.713 nan 8.280 nan 0.000 0.521 170 N N -1.642 117.113 118.700 0.092 0.000 2.082 170 N HA 0.085 4.825 4.740 0.000 0.000 0.228 170 N C -0.606 174.938 175.510 0.057 0.000 1.341 170 N CA 0.287 53.373 53.050 0.059 0.000 0.873 170 N CB 0.207 38.711 38.487 0.027 0.000 1.137 170 N HN 0.026 nan 8.380 nan 0.000 0.505 171 S N 0.984 116.755 115.700 0.117 0.000 2.508 171 S HA 0.327 4.797 4.470 0.000 0.000 0.284 171 S C -0.205 174.430 174.600 0.058 0.000 1.192 171 S CA -0.753 57.529 58.200 0.137 0.000 1.070 171 S CB 2.023 65.449 63.200 0.378 0.000 1.004 171 S HN 0.275 nan 8.310 nan 0.000 0.493 172 R N 2.187 122.642 120.500 -0.076 0.000 2.349 172 R HA 0.305 4.645 4.340 0.000 0.000 0.299 172 R C -0.936 175.296 176.300 -0.113 0.000 1.027 172 R CA -0.498 55.550 56.100 -0.086 0.000 0.958 172 R CB 0.426 30.619 30.300 -0.177 0.000 1.047 172 R HN 0.570 nan 8.270 nan 0.000 0.468 173 F N 3.819 123.695 119.950 -0.123 0.000 2.443 173 F HA 0.125 4.652 4.527 0.000 0.000 0.353 173 F C 0.601 176.315 175.800 -0.144 0.000 1.101 173 F CA 0.266 58.187 58.000 -0.132 0.000 1.226 173 F CB 1.039 39.994 39.000 -0.074 0.000 1.140 173 F HN 0.665 nan 8.300 nan 0.000 0.557 174 E N 2.308 121.846 120.200 -1.103 0.000 2.378 174 E HA 0.159 4.509 4.350 0.000 0.000 0.200 174 E C -0.159 175.966 176.600 -0.792 0.000 0.882 174 E CA 0.310 56.291 56.400 -0.700 0.000 1.061 174 E CB 0.633 30.061 29.700 -0.455 0.000 1.049 174 E HN 0.462 nan 8.360 nan 0.000 0.494 175 S N -0.439 114.590 115.700 -1.117 0.000 2.611 175 S HA 0.277 4.747 4.470 0.000 0.000 0.270 175 S C -1.583 172.833 174.600 -0.307 0.000 1.131 175 S CA -0.630 57.255 58.200 -0.525 0.000 0.826 175 S CB 1.304 64.352 63.200 -0.253 0.000 1.095 175 S HN -0.091 nan 8.310 nan 0.000 0.461 176 V N 2.439 122.367 119.914 0.024 0.000 2.455 176 V HA 0.779 4.899 4.120 0.000 0.000 0.273 176 V C 0.550 176.593 176.094 -0.084 0.000 1.045 176 V CA 0.790 63.126 62.300 0.059 0.000 0.976 176 V CB 0.135 32.021 31.823 0.104 0.000 0.993 176 V HN 1.163 nan 8.190 nan 0.000 0.475 177 A N 5.291 128.057 122.820 -0.090 0.000 2.590 177 A HA 0.625 4.945 4.320 0.000 0.000 0.294 177 A C -0.497 177.064 177.584 -0.037 0.000 1.046 177 A CA -0.660 51.260 52.037 -0.196 0.000 0.684 177 A CB 1.084 19.959 19.000 -0.210 0.000 1.279 177 A HN 0.984 nan 8.150 nan 0.000 0.415 178 W N 0.713 122.016 121.300 0.005 0.000 2.684 178 W HA 0.585 5.245 4.660 0.000 0.000 0.381 178 W C -0.051 176.489 176.519 0.036 0.000 0.975 178 W CA 0.263 57.619 57.345 0.018 0.000 1.789 178 W CB 0.299 29.767 29.460 0.013 0.000 1.161 178 W HN 0.996 nan 8.180 nan 0.000 0.564 179 S N 0.850 116.620 115.700 0.117 0.000 2.570 179 S HA 0.631 5.101 4.470 0.000 0.000 0.286 179 S C -1.089 173.496 174.600 -0.026 0.000 1.143 179 S CA 0.114 58.387 58.200 0.123 0.000 0.921 179 S CB 0.859 64.170 63.200 0.186 0.000 1.108 179 S HN 0.420 nan 8.310 nan 0.000 0.456 180 A N 2.467 125.313 122.820 0.042 0.000 2.568 180 A HA 0.985 5.305 4.320 0.000 0.000 0.291 180 A C -0.538 177.030 177.584 -0.026 0.000 1.159 180 A CA -0.409 51.629 52.037 0.002 0.000 0.679 180 A CB 1.353 20.371 19.000 0.031 0.000 1.285 180 A HN 1.356 nan 8.150 nan 0.000 0.428 181 S N -1.819 113.840 115.700 -0.069 0.000 2.615 181 S HA 0.903 5.373 4.470 0.000 0.000 0.269 181 S C -1.353 173.176 174.600 -0.117 0.000 1.161 181 S CA 0.356 58.433 58.200 -0.205 0.000 0.817 181 S CB 1.608 64.719 63.200 -0.149 0.000 1.131 181 S HN 2.617 nan 8.310 nan 0.000 0.467 182 A N 0.525 123.257 122.820 -0.147 0.000 2.581 182 A HA 0.702 5.022 4.320 0.000 0.000 0.294 182 A C -0.925 176.708 177.584 0.082 0.000 1.035 182 A CA -0.201 51.771 52.037 -0.109 0.000 0.684 182 A CB 0.140 18.800 19.000 -0.566 0.000 1.282 182 A HN 2.141 nan 8.150 nan 0.000 0.417 183 c N -0.417 118.344 118.600 0.269 0.000 3.312 183 c HA 0.857 5.427 4.570 0.000 0.000 0.332 183 c C -0.772 173.467 174.090 0.249 0.000 1.340 183 c CA -0.809 55.719 56.329 0.332 0.000 1.265 183 c CB 0.704 43.334 42.510 0.200 0.000 1.563 183 c HN 1.342 nan 8.230 nan 0.000 0.471 184 H N 0.723 119.683 119.070 -0.185 0.000 2.511 184 H HA 0.514 5.070 4.556 0.000 0.000 0.328 184 H C 0.450 175.666 175.328 -0.186 0.000 1.044 184 H CA 0.072 55.828 56.048 -0.487 0.000 1.212 184 H CB 1.314 30.390 29.762 -1.143 0.000 1.428 184 H HN 0.828 nan 8.280 nan 0.000 0.483 185 D N 2.701 122.948 120.400 -0.255 0.000 2.328 185 D HA 0.133 4.773 4.640 0.000 0.000 0.226 185 D C 1.502 177.765 176.300 -0.062 0.000 1.066 185 D CA 0.626 54.583 54.000 -0.071 0.000 0.861 185 D CB 0.297 41.093 40.800 -0.007 0.000 0.912 185 D HN 0.838 nan 8.370 nan 0.000 0.521 186 G N -1.045 107.736 108.800 -0.033 0.000 2.284 186 G HA2 -0.297 3.663 3.960 0.000 0.000 0.216 186 G HA3 -0.297 3.663 3.960 0.000 0.000 0.216 186 G C 1.189 175.956 174.900 -0.222 0.000 1.009 186 G CA 0.388 45.447 45.100 -0.069 0.000 0.625 186 G HN 0.387 nan 8.290 nan 0.000 0.501 187 T N 0.158 114.570 114.554 -0.238 0.000 3.146 187 T HA 0.487 4.837 4.350 0.000 0.000 0.235 187 T C 1.164 175.688 174.700 -0.292 0.000 0.985 187 T CA 1.697 63.696 62.100 -0.168 0.000 1.265 187 T CB 0.100 68.940 68.868 -0.047 0.000 0.946 187 T HN 1.371 nan 8.240 nan 0.000 0.418 188 S N -0.935 114.399 115.700 -0.611 0.000 2.632 188 S HA 0.614 5.084 4.470 0.000 0.000 0.289 188 S C -1.748 172.284 174.600 -0.947 0.000 1.115 188 S CA -1.142 56.606 58.200 -0.754 0.000 0.889 188 S CB 1.092 63.759 63.200 -0.888 0.000 1.116 188 S HN 0.436 nan 8.310 nan 0.000 0.486 189 W N 0.814 121.837 121.300 -0.462 0.000 2.218 189 W HA 0.550 5.210 4.660 0.000 0.000 0.326 189 W C -0.252 176.145 176.519 -0.203 0.000 1.276 189 W CA -0.401 56.844 57.345 -0.167 0.000 1.210 189 W CB 1.112 30.619 29.460 0.079 0.000 1.143 189 W HN 0.610 nan 8.180 nan 0.000 0.563 190 L N 4.702 126.089 121.223 0.274 0.000 2.325 190 L HA 0.620 4.960 4.340 0.000 0.000 0.281 190 L C -0.090 176.875 176.870 0.159 0.000 1.004 190 L CA -0.224 54.743 54.840 0.212 0.000 0.823 190 L CB 1.132 43.317 42.059 0.210 0.000 1.236 190 L HN 0.362 nan 8.230 nan 0.000 0.415 191 T N 2.980 117.582 114.554 0.081 0.000 2.829 191 T HA 0.726 5.076 4.350 0.000 0.000 0.280 191 T C -0.244 174.434 174.700 -0.037 0.000 0.999 191 T CA -0.504 61.589 62.100 -0.011 0.000 0.983 191 T CB 1.215 70.059 68.868 -0.041 0.000 0.968 191 T HN 0.490 nan 8.240 nan 0.000 0.446 192 I N 2.292 122.821 120.570 -0.068 0.000 2.411 192 I HA 0.578 4.748 4.170 0.000 0.000 0.284 192 I C 0.496 176.544 176.117 -0.115 0.000 1.012 192 I CA -0.829 60.416 61.300 -0.093 0.000 1.119 192 I CB 1.652 39.591 38.000 -0.101 0.000 1.261 192 I HN 0.956 nan 8.210 nan 0.000 0.448 193 G N 7.180 115.895 108.800 -0.141 0.000 2.530 193 G HA2 0.771 4.731 3.960 0.000 0.000 0.316 193 G HA3 0.771 4.731 3.960 0.000 0.000 0.316 193 G C -0.862 173.886 174.900 -0.254 0.000 1.298 193 G CA -0.444 44.546 45.100 -0.183 0.000 0.948 193 G HN 0.463 nan 8.290 nan 0.000 0.486 194 I N 1.578 121.916 120.570 -0.387 0.000 2.404 194 I HA 0.547 4.718 4.170 0.000 0.000 0.293 194 I C 0.240 175.768 176.117 -0.981 0.000 0.992 194 I CA -0.447 60.491 61.300 -0.603 0.000 1.149 194 I CB 1.997 39.573 38.000 -0.707 0.000 1.315 194 I HN 0.483 nan 8.210 nan 0.000 0.446 195 S N 3.243 118.509 115.700 -0.723 0.000 2.720 195 S HA 0.970 5.440 4.470 0.000 0.000 0.287 195 S C -0.408 174.117 174.600 -0.125 0.000 1.168 195 S CA 0.187 58.040 58.200 -0.577 0.000 0.832 195 S CB 1.877 64.939 63.200 -0.230 0.000 1.166 195 S HN 1.179 nan 8.310 nan 0.000 0.493 196 G N 1.383 110.303 108.800 0.199 0.000 2.498 196 G HA2 0.034 3.994 3.960 0.000 0.000 0.651 196 G HA3 0.034 3.994 3.960 0.000 0.000 0.651 196 G C -3.321 171.791 174.900 0.353 0.000 1.284 196 G CA -0.421 44.808 45.100 0.215 0.000 0.950 196 G HN 0.677 nan 8.290 nan 0.000 0.511 197 P HA 0.357 nan 4.420 nan 0.000 0.276 197 P C -0.063 177.316 177.300 0.132 0.000 1.252 197 P CA -0.192 62.982 63.100 0.123 0.000 0.802 197 P CB 0.861 32.598 31.700 0.061 0.000 1.035 198 D N 0.601 121.016 120.400 0.024 0.000 2.263 198 D HA -0.143 4.497 4.640 0.000 0.000 0.208 198 D C 1.212 177.523 176.300 0.018 0.000 0.971 198 D CA 1.476 55.475 54.000 -0.003 0.000 0.867 198 D CB -0.562 40.185 40.800 -0.088 0.000 0.929 198 D HN 0.544 nan 8.370 nan 0.000 0.492 199 N N -0.730 117.980 118.700 0.016 0.000 2.336 199 N HA 0.124 4.864 4.740 0.000 0.000 0.189 199 N C 0.935 176.455 175.510 0.017 0.000 1.113 199 N CA 0.354 53.407 53.050 0.005 0.000 0.858 199 N CB 0.569 39.055 38.487 -0.002 0.000 0.970 199 N HN 0.047 nan 8.380 nan 0.000 0.471 200 G N -1.235 107.591 108.800 0.044 0.000 5.648 200 G HA2 0.474 4.434 3.960 0.000 0.000 0.192 200 G HA3 0.474 4.434 3.960 0.000 0.000 0.192 200 G C -0.253 174.686 174.900 0.064 0.000 0.694 200 G CA -0.136 44.991 45.100 0.044 0.000 0.654 200 G HN 0.473 nan 8.290 nan 0.000 0.324 201 A N -0.028 122.854 122.820 0.104 0.000 2.555 201 A HA 0.558 4.878 4.320 0.000 0.000 0.233 201 A C 0.318 177.904 177.584 0.003 0.000 1.060 201 A CA 0.437 52.536 52.037 0.103 0.000 0.759 201 A CB 1.115 20.246 19.000 0.219 0.000 0.995 201 A HN 1.436 nan 8.150 nan 0.000 0.506 202 V N 1.406 121.284 119.914 -0.059 0.000 2.656 202 V HA 0.726 4.846 4.120 0.000 0.000 0.307 202 V C 0.150 176.160 176.094 -0.139 0.000 1.051 202 V CA -0.089 62.171 62.300 -0.068 0.000 0.893 202 V CB 1.627 33.428 31.823 -0.036 0.000 0.999 202 V HN 1.615 nan 8.190 nan 0.000 0.426 203 A N 6.146 128.892 122.820 -0.122 0.000 2.269 203 A HA 0.722 5.042 4.320 0.000 0.000 0.302 203 A C -0.520 176.990 177.584 -0.123 0.000 1.266 203 A CA -0.404 51.538 52.037 -0.158 0.000 0.894 203 A CB 0.829 19.724 19.000 -0.174 0.000 1.147 203 A HN 1.109 nan 8.150 nan 0.000 0.537 204 V N 4.925 124.766 119.914 -0.121 0.000 2.383 204 V HA 0.271 4.391 4.120 0.000 0.000 0.275 204 V C 0.027 176.075 176.094 -0.076 0.000 1.036 204 V CA -0.205 62.047 62.300 -0.081 0.000 0.889 204 V CB 0.929 32.712 31.823 -0.066 0.000 0.985 204 V HN 0.737 nan 8.190 nan 0.000 0.459 205 L N 5.626 126.815 121.223 -0.057 0.000 2.309 205 L HA 0.611 4.951 4.340 0.000 0.000 0.282 205 L C -0.028 176.846 176.870 0.007 0.000 1.036 205 L CA -0.555 54.263 54.840 -0.037 0.000 0.806 205 L CB 1.427 43.458 42.059 -0.046 0.000 1.220 205 L HN 0.560 nan 8.230 nan 0.000 0.429 206 K N 2.773 123.195 120.400 0.036 0.000 2.371 206 K HA 0.445 4.765 4.320 0.000 0.000 0.251 206 K C -1.656 175.040 176.600 0.160 0.000 0.934 206 K CA -0.721 55.612 56.287 0.077 0.000 0.798 206 K CB 2.801 35.325 32.500 0.040 0.000 1.204 206 K HN 0.361 nan 8.250 nan 0.000 0.427 207 Y N 3.043 123.357 120.300 0.023 0.000 2.332 207 Y HA 0.145 4.696 4.550 0.000 0.000 0.326 207 Y C 0.091 176.024 175.900 0.055 0.000 0.978 207 Y CA -0.414 57.707 58.100 0.033 0.000 1.205 207 Y CB 0.891 39.352 38.460 0.003 0.000 1.131 207 Y HN 0.781 nan 8.280 nan 0.000 0.462 208 N N 4.199 122.775 118.700 -0.206 0.000 2.754 208 N HA -0.208 4.532 4.740 0.000 0.000 0.248 208 N C 0.730 176.251 175.510 0.018 0.000 1.093 208 N CA 1.718 54.711 53.050 -0.096 0.000 0.699 208 N CB -1.132 37.278 38.487 -0.128 0.000 1.016 208 N HN 1.420 nan 8.380 nan 0.000 0.552 209 G N -0.787 108.036 108.800 0.039 0.000 2.253 209 G HA2 -0.305 3.655 3.960 0.000 0.000 0.251 209 G HA3 -0.305 3.655 3.960 0.000 0.000 0.251 209 G C 0.307 175.244 174.900 0.062 0.000 0.998 209 G CA 0.495 45.624 45.100 0.049 0.000 0.621 209 G HN 0.969 nan 8.290 nan 0.000 0.524 210 I N -0.322 120.292 120.570 0.073 0.000 2.336 210 I HA 0.648 4.818 4.170 0.000 0.000 0.292 210 I C 0.663 176.826 176.117 0.077 0.000 0.991 210 I CA -1.306 60.038 61.300 0.073 0.000 1.227 210 I CB 1.154 39.198 38.000 0.074 0.000 1.366 210 I HN 0.037 nan 8.210 nan 0.000 0.466 211 I N 6.337 126.940 120.570 0.054 0.000 2.828 211 I HA -0.108 4.062 4.170 0.000 0.000 0.292 211 I C 1.365 177.505 176.117 0.037 0.000 1.206 211 I CA 0.635 61.959 61.300 0.039 0.000 1.420 211 I CB 0.777 38.791 38.000 0.024 0.000 1.368 211 I HN 0.818 nan 8.210 nan 0.000 0.556 212 T N 0.106 114.680 114.554 0.034 0.000 2.985 212 T HA 0.229 4.579 4.350 0.000 0.000 0.254 212 T C 0.193 174.883 174.700 -0.016 0.000 1.021 212 T CA -0.265 61.842 62.100 0.013 0.000 0.957 212 T CB 0.497 69.372 68.868 0.012 0.000 1.047 212 T HN 0.595 nan 8.240 nan 0.000 0.511 213 D N -0.777 119.613 120.400 -0.018 0.000 2.738 213 D HA 0.468 5.108 4.640 0.000 0.000 0.308 213 D C -1.711 174.568 176.300 -0.035 0.000 1.311 213 D CA -0.141 53.841 54.000 -0.030 0.000 0.799 213 D CB 1.757 42.531 40.800 -0.044 0.000 1.332 213 D HN -0.011 nan 8.370 nan 0.000 0.441 214 T N 0.569 115.101 114.554 -0.037 0.000 2.932 214 T HA 0.647 4.997 4.350 0.000 0.000 0.318 214 T C -0.955 173.725 174.700 -0.035 0.000 1.265 214 T CA -0.407 61.669 62.100 -0.040 0.000 1.036 214 T CB 0.978 69.834 68.868 -0.021 0.000 1.209 214 T HN 0.259 nan 8.240 nan 0.000 0.484 215 I N 3.288 123.832 120.570 -0.044 0.000 2.497 215 I HA 0.351 4.521 4.170 0.000 0.000 0.284 215 I C -0.104 176.042 176.117 0.048 0.000 1.060 215 I CA -1.018 60.280 61.300 -0.004 0.000 1.071 215 I CB 1.840 39.777 38.000 -0.105 0.000 1.216 215 I HN 0.487 nan 8.210 nan 0.000 0.442 216 K N 3.626 124.085 120.400 0.098 0.000 2.118 216 K HA 0.471 4.791 4.320 0.000 0.000 0.267 216 K C 0.151 176.867 176.600 0.194 0.000 0.991 216 K CA -0.535 55.815 56.287 0.105 0.000 0.916 216 K CB 1.751 34.300 32.500 0.082 0.000 1.041 216 K HN 0.427 nan 8.250 nan 0.000 0.455 217 S N 1.829 117.594 115.700 0.109 0.000 2.563 217 S HA -0.072 4.398 4.470 0.000 0.000 0.294 217 S C 0.302 174.982 174.600 0.133 0.000 1.279 217 S CA -0.327 57.894 58.200 0.035 0.000 1.069 217 S CB -0.076 63.093 63.200 -0.052 0.000 0.828 217 S HN 0.829 nan 8.310 nan 0.000 0.497 218 W N 5.166 126.489 121.300 0.039 0.000 3.177 218 W HA 0.502 5.162 4.660 0.000 0.000 0.309 218 W C 1.231 177.756 176.519 0.009 0.000 1.224 218 W CA -0.562 56.797 57.345 0.024 0.000 1.718 218 W CB 0.210 29.686 29.460 0.027 0.000 1.078 218 W HN 0.469 nan 8.180 nan 0.000 0.618 219 R N 1.048 121.364 120.500 -0.306 0.000 2.509 219 R HA 0.067 4.407 4.340 0.000 0.000 0.297 219 R C 0.111 176.318 176.300 -0.154 0.000 0.951 219 R CA 0.029 55.998 56.100 -0.219 0.000 1.103 219 R CB -0.756 29.333 30.300 -0.351 0.000 1.283 219 R HN 0.130 nan 8.270 nan 0.000 0.534 220 N N 1.868 120.488 118.700 -0.133 0.000 2.710 220 N HA -0.230 4.510 4.740 0.000 0.000 0.249 220 N C -0.527 174.936 175.510 -0.079 0.000 1.059 220 N CA 0.973 53.978 53.050 -0.075 0.000 0.720 220 N CB -1.254 37.213 38.487 -0.034 0.000 0.983 220 N HN 0.239 nan 8.380 nan 0.000 0.544 221 N N 0.673 119.303 118.700 -0.118 0.000 2.725 221 N HA 0.287 5.027 4.740 0.000 0.000 0.248 221 N C -0.451 175.013 175.510 -0.075 0.000 1.402 221 N CA -0.413 52.584 53.050 -0.089 0.000 0.766 221 N CB -0.174 38.255 38.487 -0.097 0.000 1.223 221 N HN 0.273 nan 8.380 nan 0.000 0.515 222 I N 0.634 121.193 120.570 -0.018 0.000 7.356 222 I HA -0.314 3.856 4.170 0.000 0.000 0.126 222 I C -0.304 175.868 176.117 0.091 0.000 1.829 222 I CA -0.028 61.317 61.300 0.075 0.000 2.068 222 I CB -0.786 37.224 38.000 0.017 0.000 3.620 222 I HN 0.329 nan 8.210 nan 0.000 0.179 223 L N 7.056 128.316 121.223 0.062 0.000 2.513 223 L HA 0.318 4.658 4.340 0.000 0.000 0.272 223 L C 0.861 177.785 176.870 0.091 0.000 1.187 223 L CA 0.742 55.551 54.840 -0.052 0.000 0.895 223 L CB 0.216 42.220 42.059 -0.093 0.000 1.147 223 L HN 0.528 nan 8.230 nan 0.000 0.483 224 R N 2.512 123.060 120.500 0.079 0.000 2.855 224 R HA 0.813 5.153 4.340 0.000 0.000 0.266 224 R C -0.752 175.608 176.300 0.100 0.000 1.034 224 R CA -0.893 55.292 56.100 0.142 0.000 0.944 224 R CB 1.518 31.952 30.300 0.223 0.000 1.219 224 R HN 0.533 nan 8.270 nan 0.000 0.474 225 T N -1.501 113.110 114.554 0.095 0.000 2.591 225 T HA 0.148 4.498 4.350 0.000 0.000 0.274 225 T C 0.600 175.352 174.700 0.087 0.000 0.945 225 T CA -0.474 61.672 62.100 0.076 0.000 1.087 225 T CB 1.553 70.426 68.868 0.008 0.000 1.416 225 T HN 0.662 nan 8.240 nan 0.000 0.514 226 Q N 0.252 120.083 119.800 0.051 0.000 2.077 226 Q HA -0.127 4.213 4.340 0.000 0.000 0.206 226 Q C -0.079 175.958 176.000 0.062 0.000 0.989 226 Q CA 1.794 57.623 55.803 0.043 0.000 0.853 226 Q CB -0.069 28.660 28.738 -0.016 0.000 0.907 226 Q HN 0.636 nan 8.270 nan 0.000 0.418 227 E N -0.346 119.850 120.200 -0.006 0.000 2.868 227 E HA -0.160 4.190 4.350 0.000 0.000 0.278 227 E C -0.504 176.078 176.600 -0.029 0.000 1.009 227 E CA 1.119 57.575 56.400 0.095 0.000 0.856 227 E CB -2.076 27.836 29.700 0.354 0.000 1.428 227 E HN 0.465 nan 8.360 nan 0.000 0.423 228 S N -1.382 114.032 115.700 -0.477 0.000 2.615 228 S HA 0.452 4.922 4.470 0.000 0.000 0.269 228 S C -0.295 173.873 174.600 -0.719 0.000 1.161 228 S CA -0.599 57.337 58.200 -0.439 0.000 0.817 228 S CB 2.249 65.587 63.200 0.231 0.000 1.131 228 S HN 0.239 nan 8.310 nan 0.000 0.467 229 E N 0.206 120.213 120.200 -0.322 0.000 2.418 229 E HA 0.386 4.736 4.350 0.000 0.000 0.261 229 E C 0.409 177.031 176.600 0.037 0.000 1.070 229 E CA -0.753 55.600 56.400 -0.078 0.000 0.931 229 E CB 0.091 29.946 29.700 0.259 0.000 0.954 229 E HN 0.817 nan 8.360 nan 0.000 0.439 230 c N 1.316 119.957 118.600 0.069 0.000 2.411 230 c HA 0.864 5.434 4.570 0.000 0.000 0.358 230 c C 0.404 174.613 174.090 0.198 0.000 1.349 230 c CA -0.520 55.888 56.329 0.132 0.000 2.326 230 c CB 0.184 42.764 42.510 0.118 0.000 2.166 230 c HN 0.829 nan 8.230 nan 0.000 0.609 231 A N -0.567 122.399 122.820 0.243 0.000 2.331 231 A HA 0.707 5.027 4.320 0.000 0.000 0.320 231 A C -0.615 177.163 177.584 0.323 0.000 1.138 231 A CA -0.300 51.886 52.037 0.249 0.000 0.790 231 A CB 0.396 19.503 19.000 0.179 0.000 1.206 231 A HN 1.046 nan 8.150 nan 0.000 0.470 232 c N 1.173 119.922 118.600 0.249 0.000 2.493 232 c HA 0.856 5.426 4.570 0.000 0.000 0.326 232 c C -0.161 174.063 174.090 0.224 0.000 1.200 232 c CA -0.495 55.984 56.329 0.250 0.000 1.739 232 c CB 1.082 43.680 42.510 0.148 0.000 2.300 232 c HN 0.676 nan 8.230 nan 0.000 0.500 233 V N 2.655 122.727 119.914 0.264 0.000 2.752 233 V HA 0.415 4.536 4.120 0.000 0.000 0.302 233 V C 0.004 176.197 176.094 0.164 0.000 1.133 233 V CA -0.419 61.990 62.300 0.181 0.000 0.919 233 V CB 1.792 33.703 31.823 0.146 0.000 1.026 233 V HN 0.985 nan 8.190 nan 0.000 0.429 234 N N 3.454 122.212 118.700 0.097 0.000 2.710 234 N HA -0.200 4.540 4.740 0.000 0.000 0.249 234 N C 0.941 176.490 175.510 0.065 0.000 1.059 234 N CA 1.997 55.090 53.050 0.071 0.000 0.720 234 N CB -0.913 37.618 38.487 0.073 0.000 0.983 234 N HN 2.062 nan 8.380 nan 0.000 0.544 235 G N -2.504 106.331 108.800 0.058 0.000 2.136 235 G HA2 -0.213 3.747 3.960 0.000 0.000 0.242 235 G HA3 -0.213 3.747 3.960 0.000 0.000 0.242 235 G C -0.170 174.735 174.900 0.007 0.000 0.989 235 G CA 0.397 45.513 45.100 0.027 0.000 0.682 235 G HN 0.841 nan 8.290 nan 0.000 0.522 236 S N -0.982 114.746 115.700 0.046 0.000 2.538 236 S HA 0.684 5.154 4.470 0.000 0.000 0.288 236 S C -0.064 174.484 174.600 -0.087 0.000 1.108 236 S CA -0.386 57.761 58.200 -0.087 0.000 0.971 236 S CB 2.298 65.447 63.200 -0.084 0.000 1.041 236 S HN 0.625 nan 8.310 nan 0.000 0.483 237 c N 2.841 121.280 118.600 -0.268 0.000 2.435 237 c HA 0.806 5.376 4.570 0.000 0.000 0.333 237 c C -0.825 173.077 174.090 -0.312 0.000 1.202 237 c CA -0.825 55.462 56.329 -0.070 0.000 1.830 237 c CB -0.157 42.372 42.510 0.032 0.000 2.326 237 c HN 0.797 nan 8.230 nan 0.000 0.507 238 F N 0.648 120.689 119.950 0.152 0.000 2.563 238 F HA 0.754 5.281 4.527 0.000 0.000 0.316 238 F C 0.481 176.401 175.800 0.200 0.000 1.076 238 F CA -0.481 57.646 58.000 0.211 0.000 0.921 238 F CB 1.874 41.108 39.000 0.390 0.000 1.209 238 F HN 0.538 nan 8.300 nan 0.000 0.462 239 T N 0.818 115.581 114.554 0.349 0.000 2.787 239 T HA 0.807 5.157 4.350 0.000 0.000 0.297 239 T C -1.888 172.969 174.700 0.261 0.000 1.221 239 T CA -0.503 61.748 62.100 0.252 0.000 1.006 239 T CB 1.633 70.576 68.868 0.124 0.000 1.328 239 T HN 0.363 nan 8.240 nan 0.000 0.509 240 V N 2.588 122.626 119.914 0.206 0.000 2.789 240 V HA 0.676 4.797 4.120 0.000 0.000 0.311 240 V C -0.541 175.688 176.094 0.225 0.000 1.073 240 V CA -0.717 61.701 62.300 0.197 0.000 0.921 240 V CB 1.858 33.748 31.823 0.110 0.000 1.009 240 V HN 0.837 nan 8.190 nan 0.000 0.426 241 M N 2.286 122.095 119.600 0.349 0.000 2.619 241 M HA 0.642 5.122 4.480 0.000 0.000 0.297 241 M C -0.851 175.716 176.300 0.446 0.000 1.229 241 M CA -0.459 55.069 55.300 0.379 0.000 0.860 241 M CB 2.881 35.768 32.600 0.478 0.000 1.741 241 M HN 0.591 nan 8.290 nan 0.000 0.462 242 T N 0.179 114.910 114.554 0.295 0.000 2.900 242 T HA 0.551 4.901 4.350 0.000 0.000 0.295 242 T C -1.600 173.062 174.700 -0.064 0.000 1.044 242 T CA -0.610 61.640 62.100 0.251 0.000 0.995 242 T CB 2.042 71.049 68.868 0.233 0.000 1.072 242 T HN 0.556 nan 8.240 nan 0.000 0.473 243 D N -0.114 120.150 120.400 -0.227 0.000 2.990 243 D HA 0.640 5.280 4.640 0.000 0.000 0.227 243 D C 0.059 176.180 176.300 -0.299 0.000 1.249 243 D CA 0.486 54.188 54.000 -0.497 0.000 0.891 243 D CB 1.855 41.854 40.800 -1.335 0.000 1.647 243 D HN 0.954 nan 8.370 nan 0.000 0.530 244 G N 2.724 111.403 108.800 -0.203 0.000 2.298 244 G HA2 0.006 3.967 3.960 0.000 0.000 0.309 244 G HA3 0.006 3.967 3.960 0.000 0.000 0.309 244 G C -2.988 171.872 174.900 -0.067 0.000 1.279 244 G CA -0.939 44.079 45.100 -0.138 0.000 1.042 244 G HN 0.409 nan 8.290 nan 0.000 0.480 245 P HA 0.314 nan 4.420 nan 0.000 0.275 245 P C 0.704 178.057 177.300 0.090 0.000 1.227 245 P CA 0.451 63.527 63.100 -0.039 0.000 0.781 245 P CB 1.274 32.894 31.700 -0.135 0.000 0.906 246 S N 0.386 116.149 115.700 0.104 0.000 2.605 246 S HA 0.078 4.548 4.470 0.000 0.000 0.217 246 S C 1.149 175.806 174.600 0.095 0.000 0.958 246 S CA 0.237 58.582 58.200 0.242 0.000 0.919 246 S CB -0.657 62.654 63.200 0.184 0.000 0.780 246 S HN 0.261 nan 8.310 nan 0.000 0.507 247 N N 1.414 120.072 118.700 -0.070 0.000 2.415 247 N HA 0.352 5.092 4.740 0.000 0.000 0.174 247 N C 0.617 175.764 175.510 -0.606 0.000 1.048 247 N CA 0.934 53.864 53.050 -0.201 0.000 0.895 247 N CB 1.002 39.406 38.487 -0.138 0.000 1.036 247 N HN 0.617 nan 8.380 nan 0.000 0.449 248 G N -1.052 107.186 108.800 -0.938 0.000 2.489 248 G HA2 0.138 4.098 3.960 0.000 0.000 0.305 248 G HA3 0.138 4.098 3.960 0.000 0.000 0.305 248 G C -1.515 172.516 174.900 -1.449 0.000 1.311 248 G CA -0.594 43.245 45.100 -2.102 0.000 0.813 248 G HN -0.132 nan 8.290 nan 0.000 0.480 249 Q N -0.071 118.740 119.800 -1.649 0.000 3.002 249 Q HA 0.302 4.642 4.340 0.000 0.000 0.384 249 Q C 0.381 176.241 176.000 -0.234 0.000 1.084 249 Q CA 1.174 56.670 55.803 -0.512 0.000 1.189 249 Q CB 0.318 28.933 28.738 -0.205 0.000 1.072 249 Q HN 1.091 nan 8.270 nan 0.000 0.443 250 A N 2.769 125.542 122.820 -0.078 0.000 2.483 250 A HA 0.688 5.008 4.320 0.000 0.000 0.286 250 A C -0.719 176.465 177.584 -0.666 0.000 1.207 250 A CA -0.333 51.586 52.037 -0.197 0.000 0.764 250 A CB 1.820 20.852 19.000 0.052 0.000 1.341 250 A HN 0.563 nan 8.150 nan 0.000 0.428 251 S N -0.958 114.459 115.700 -0.472 0.000 2.541 251 S HA 0.721 5.191 4.470 0.000 0.000 0.283 251 S C -1.467 172.966 174.600 -0.279 0.000 1.196 251 S CA -0.259 57.708 58.200 -0.389 0.000 1.062 251 S CB 0.122 63.428 63.200 0.178 0.000 1.009 251 S HN 0.415 nan 8.310 nan 0.000 0.502 252 Y N 2.374 122.816 120.300 0.236 0.000 2.406 252 Y HA 0.566 5.117 4.550 0.000 0.000 0.340 252 Y C 0.156 176.060 175.900 0.007 0.000 0.975 252 Y CA -1.113 57.079 58.100 0.153 0.000 1.056 252 Y CB 1.785 40.270 38.460 0.042 0.000 1.210 252 Y HN 0.399 nan 8.280 nan 0.000 0.448 253 K N 3.872 124.369 120.400 0.163 0.000 2.464 253 K HA 0.635 4.955 4.320 0.000 0.000 0.253 253 K C -1.431 175.020 176.600 -0.250 0.000 0.933 253 K CA -0.772 55.371 56.287 -0.240 0.000 0.801 253 K CB 2.963 35.095 32.500 -0.613 0.000 1.271 253 K HN 0.583 nan 8.250 nan 0.000 0.430 254 I N 2.544 122.804 120.570 -0.516 0.000 2.412 254 I HA 0.419 4.589 4.170 0.000 0.000 0.296 254 I C -0.910 174.916 176.117 -0.486 0.000 0.987 254 I CA -0.778 60.272 61.300 -0.417 0.000 1.180 254 I CB 0.770 38.341 38.000 -0.715 0.000 1.340 254 I HN 0.343 nan 8.210 nan 0.000 0.455 255 F N 4.485 124.347 119.950 -0.147 0.000 2.532 255 F HA 0.514 5.041 4.527 0.000 0.000 0.321 255 F C 0.053 175.780 175.800 -0.122 0.000 1.089 255 F CA -0.827 57.096 58.000 -0.127 0.000 0.926 255 F CB 1.763 40.702 39.000 -0.103 0.000 1.168 255 F HN 0.280 nan 8.300 nan 0.000 0.459 256 K N 4.674 125.062 120.400 -0.021 0.000 2.221 256 K HA 0.810 5.130 4.320 0.000 0.000 0.258 256 K C -1.274 175.177 176.600 -0.247 0.000 0.944 256 K CA -0.612 55.482 56.287 -0.322 0.000 0.823 256 K CB 1.238 33.583 32.500 -0.257 0.000 1.113 256 K HN 0.815 nan 8.250 nan 0.000 0.431 257 M N 1.897 121.286 119.600 -0.352 0.000 2.484 257 M HA 0.440 4.920 4.480 0.000 0.000 0.289 257 M C -1.450 174.714 176.300 -0.227 0.000 1.206 257 M CA -0.887 54.284 55.300 -0.215 0.000 0.892 257 M CB 2.390 34.906 32.600 -0.140 0.000 1.712 257 M HN 0.457 nan 8.290 nan 0.000 0.462 258 E N 1.145 121.226 120.200 -0.198 0.000 2.241 258 E HA 0.394 4.744 4.350 0.000 0.000 0.263 258 E C -1.203 175.206 176.600 -0.318 0.000 0.882 258 E CA -0.811 55.461 56.400 -0.214 0.000 0.769 258 E CB 2.079 31.682 29.700 -0.162 0.000 1.185 258 E HN 0.719 nan 8.360 nan 0.000 0.415 259 K N 1.415 121.490 120.400 -0.542 0.000 3.129 259 K HA -0.251 4.069 4.320 0.000 0.000 0.273 259 K C 0.609 176.704 176.600 -0.841 0.000 1.123 259 K CA 0.563 56.147 56.287 -1.171 0.000 0.800 259 K CB -1.408 30.664 32.500 -0.713 0.000 1.238 259 K HN 1.091 nan 8.250 nan 0.000 0.492 260 G N 0.561 109.123 108.800 -0.396 0.000 2.155 260 G HA2 -0.377 3.583 3.960 0.000 0.000 0.257 260 G HA3 -0.377 3.583 3.960 0.000 0.000 0.257 260 G C -0.120 174.716 174.900 -0.106 0.000 0.983 260 G CA 0.941 45.980 45.100 -0.101 0.000 0.676 260 G HN 0.409 nan 8.290 nan 0.000 0.528 261 K N 0.278 120.590 120.400 -0.148 0.000 2.221 261 K HA 0.618 4.938 4.320 0.000 0.000 0.258 261 K C 0.327 176.873 176.600 -0.090 0.000 0.944 261 K CA -0.857 55.368 56.287 -0.104 0.000 0.823 261 K CB 1.678 34.112 32.500 -0.108 0.000 1.113 261 K HN 0.007 nan 8.250 nan 0.000 0.431 262 V N 5.591 125.473 119.914 -0.053 0.000 2.446 262 V HA -0.013 4.107 4.120 0.000 0.000 0.276 262 V C 1.112 177.185 176.094 -0.035 0.000 1.030 262 V CA -0.058 62.230 62.300 -0.019 0.000 1.033 262 V CB 0.792 32.648 31.823 0.055 0.000 0.993 262 V HN 0.760 nan 8.190 nan 0.000 0.477 263 V N 1.882 121.762 119.914 -0.057 0.000 3.565 263 V HA 0.433 4.553 4.120 0.000 0.000 0.260 263 V C 0.458 176.520 176.094 -0.054 0.000 1.231 263 V CA 0.459 62.723 62.300 -0.060 0.000 1.100 263 V CB -0.371 31.406 31.823 -0.076 0.000 0.807 263 V HN 0.793 nan 8.190 nan 0.000 0.454 264 K N 0.531 120.897 120.400 -0.056 0.000 2.610 264 K HA 0.572 4.892 4.320 0.000 0.000 0.278 264 K C -1.412 175.110 176.600 -0.130 0.000 0.964 264 K CA 0.357 56.597 56.287 -0.079 0.000 0.859 264 K CB 2.181 34.645 32.500 -0.059 0.000 1.434 264 K HN 0.442 nan 8.250 nan 0.000 0.410 265 S N 0.624 116.185 115.700 -0.231 0.000 2.550 265 S HA 0.764 5.234 4.470 0.000 0.000 0.270 265 S C -1.553 172.785 174.600 -0.438 0.000 1.145 265 S CA -0.712 57.199 58.200 -0.480 0.000 0.852 265 S CB 2.023 64.781 63.200 -0.736 0.000 1.119 265 S HN 0.281 nan 8.310 nan 0.000 0.465 266 V N 1.437 121.035 119.914 -0.528 0.000 2.808 266 V HA 0.514 4.634 4.120 0.000 0.000 0.308 266 V C -0.591 175.227 176.094 -0.460 0.000 1.099 266 V CA -0.606 61.463 62.300 -0.386 0.000 0.920 266 V CB 1.826 33.507 31.823 -0.237 0.000 1.014 266 V HN 1.038 nan 8.190 nan 0.000 0.425 267 E N 3.765 123.747 120.200 -0.363 0.000 2.283 267 E HA 0.510 4.860 4.350 0.000 0.000 0.278 267 E C -1.009 175.433 176.600 -0.264 0.000 1.027 267 E CA -0.557 55.648 56.400 -0.325 0.000 0.843 267 E CB 1.110 30.654 29.700 -0.260 0.000 1.062 267 E HN 0.565 nan 8.360 nan 0.000 0.401 268 L N 3.567 124.613 121.223 -0.295 0.000 2.380 268 L HA 0.136 4.476 4.340 0.000 0.000 0.273 268 L C 0.226 177.060 176.870 -0.061 0.000 1.138 268 L CA -0.282 54.346 54.840 -0.352 0.000 0.832 268 L CB 0.637 42.441 42.059 -0.425 0.000 1.124 268 L HN 0.592 nan 8.230 nan 0.000 0.454 269 D N 3.256 123.691 120.400 0.057 0.000 2.522 269 D HA 0.314 4.954 4.640 0.000 0.000 0.218 269 D C -0.037 176.322 176.300 0.099 0.000 1.149 269 D CA -0.156 53.901 54.000 0.096 0.000 0.981 269 D CB 0.728 41.601 40.800 0.122 0.000 1.041 269 D HN 0.520 nan 8.370 nan 0.000 0.518 270 A N 4.352 127.251 122.820 0.132 0.000 3.219 270 A HA 0.368 4.688 4.320 0.000 0.000 0.314 270 A C -2.386 175.421 177.584 0.371 0.000 1.081 270 A CA -1.164 50.948 52.037 0.124 0.000 0.995 270 A CB 0.172 19.271 19.000 0.166 0.000 1.067 270 A HN 0.328 nan 8.150 nan 0.000 0.533 271 P HA 0.021 nan 4.420 nan 0.000 0.265 271 P C 0.298 177.895 177.300 0.496 0.000 1.193 271 P CA 0.742 64.059 63.100 0.361 0.000 0.765 271 P CB 0.750 32.594 31.700 0.239 0.000 0.823 272 N N 0.457 119.484 118.700 0.545 0.000 2.980 272 N HA -0.205 4.535 4.740 0.000 0.000 0.219 272 N C -0.871 174.921 175.510 0.470 0.000 0.883 272 N CA 1.214 54.540 53.050 0.460 0.000 1.018 272 N CB -1.851 36.744 38.487 0.180 0.000 1.041 272 N HN 0.347 nan 8.380 nan 0.000 0.592 273 Y N 0.562 121.132 120.300 0.450 0.000 2.374 273 Y HA 0.549 5.099 4.550 0.000 0.000 0.322 273 Y C 0.818 176.997 175.900 0.464 0.000 1.275 273 Y CA -0.060 58.251 58.100 0.351 0.000 1.307 273 Y CB 0.958 39.501 38.460 0.138 0.000 1.282 273 Y HN 0.095 nan 8.280 nan 0.000 0.509 274 H N 1.638 120.779 119.070 0.118 0.000 3.018 274 H HA 0.276 4.832 4.556 0.000 0.000 0.334 274 H C -1.997 173.055 175.328 -0.459 0.000 0.983 274 H CA -0.617 55.463 56.048 0.053 0.000 1.363 274 H CB 0.763 30.735 29.762 0.351 0.000 1.668 274 H HN 0.690 nan 8.280 nan 0.000 0.513 275 Y N 3.129 122.908 120.300 -0.869 0.000 2.328 275 Y HA 0.340 4.890 4.550 0.000 0.000 0.337 275 Y C 0.001 175.665 175.900 -0.393 0.000 0.966 275 Y CA -0.452 57.283 58.100 -0.608 0.000 1.136 275 Y CB 1.881 39.911 38.460 -0.717 0.000 1.170 275 Y HN 0.574 nan 8.280 nan 0.000 0.470 276 E N 1.546 121.723 120.200 -0.038 0.000 2.343 276 E HA 0.251 4.601 4.350 0.000 0.000 0.278 276 E C -1.199 175.434 176.600 0.055 0.000 0.910 276 E CA -0.895 55.516 56.400 0.018 0.000 0.757 276 E CB 1.492 31.202 29.700 0.017 0.000 1.218 276 E HN 0.659 nan 8.360 nan 0.000 0.435 277 E N 0.337 120.588 120.200 0.085 0.000 2.210 277 E HA -0.250 4.100 4.350 0.000 0.000 0.201 277 E C -0.786 175.868 176.600 0.090 0.000 1.339 277 E CA 0.117 56.574 56.400 0.095 0.000 0.699 277 E CB -1.803 27.938 29.700 0.067 0.000 1.126 277 E HN 0.339 nan 8.360 nan 0.000 0.355 278 c N 1.180 119.844 118.600 0.106 0.000 2.662 278 c HA 0.171 4.741 4.570 0.000 0.000 0.420 278 c C 1.224 175.396 174.090 0.135 0.000 1.314 278 c CA -0.266 56.137 56.329 0.124 0.000 1.963 278 c CB 0.570 43.159 42.510 0.131 0.000 2.686 278 c HN 0.404 nan 8.230 nan 0.000 0.609 279 S N 1.854 117.648 115.700 0.156 0.000 2.461 279 S HA 0.356 4.826 4.470 0.000 0.000 0.322 279 S C -0.374 174.344 174.600 0.198 0.000 1.063 279 S CA -0.435 57.876 58.200 0.184 0.000 1.120 279 S CB 0.224 63.544 63.200 0.201 0.000 0.968 279 S HN 0.822 nan 8.310 nan 0.000 0.467 280 c N 4.079 122.790 118.600 0.185 0.000 2.355 280 c HA 0.801 5.371 4.570 0.000 0.000 0.332 280 c C -0.300 173.916 174.090 0.211 0.000 1.255 280 c CA -1.038 55.368 56.329 0.129 0.000 1.792 280 c CB -0.699 41.875 42.510 0.107 0.000 2.300 280 c HN 0.910 nan 8.230 nan 0.000 0.515 281 Y N 1.443 121.790 120.300 0.079 0.000 2.581 281 Y HA 0.850 5.400 4.550 0.000 0.000 0.345 281 Y C -3.087 172.827 175.900 0.023 0.000 1.036 281 Y CA -3.276 54.889 58.100 0.110 0.000 1.042 281 Y CB 0.986 39.577 38.460 0.217 0.000 1.289 281 Y HN 0.424 nan 8.280 nan 0.000 0.471 282 P HA 0.255 nan 4.420 nan 0.000 0.298 282 P C -1.462 175.908 177.300 0.117 0.000 1.314 282 P CA -0.347 62.776 63.100 0.038 0.000 0.854 282 P CB 2.007 33.746 31.700 0.065 0.000 1.019 283 N N 2.184 120.881 118.700 -0.005 0.000 2.478 283 N HA 0.302 5.042 4.740 0.000 0.000 0.291 283 N C -0.390 175.087 175.510 -0.055 0.000 1.090 283 N CA -0.187 52.872 53.050 0.015 0.000 0.911 283 N CB 1.692 40.221 38.487 0.070 0.000 1.546 283 N HN 0.484 nan 8.380 nan 0.000 0.500 284 A N 2.502 125.300 122.820 -0.037 0.000 2.640 284 A HA -0.099 4.221 4.320 0.000 0.000 0.300 284 A C 1.320 178.872 177.584 -0.054 0.000 1.499 284 A CA 1.943 53.955 52.037 -0.043 0.000 0.759 284 A CB -2.142 16.827 19.000 -0.052 0.000 1.048 284 A HN 1.941 nan 8.150 nan 0.000 0.450 285 G N -2.051 106.719 108.800 -0.050 0.000 2.168 285 G HA2 -0.229 3.731 3.960 0.000 0.000 0.263 285 G HA3 -0.229 3.731 3.960 0.000 0.000 0.263 285 G C -0.140 174.687 174.900 -0.122 0.000 0.977 285 G CA 1.088 46.154 45.100 -0.057 0.000 0.659 285 G HN 1.349 nan 8.290 nan 0.000 0.533 286 E N -1.004 119.090 120.200 -0.175 0.000 2.369 286 E HA 0.647 4.997 4.350 0.000 0.000 0.270 286 E C -0.807 175.541 176.600 -0.421 0.000 0.909 286 E CA -1.149 55.076 56.400 -0.291 0.000 0.775 286 E CB 1.648 31.212 29.700 -0.227 0.000 1.270 286 E HN 0.097 nan 8.360 nan 0.000 0.445 287 I N 0.925 121.071 120.570 -0.706 0.000 2.488 287 I HA 0.281 4.452 4.170 0.000 0.000 0.299 287 I C 0.054 175.672 176.117 -0.831 0.000 0.984 287 I CA -0.098 60.701 61.300 -0.835 0.000 1.250 287 I CB 1.730 39.016 38.000 -1.190 0.000 1.389 287 I HN 0.315 nan 8.210 nan 0.000 0.488 288 T N 4.188 118.286 114.554 -0.761 0.000 2.879 288 T HA 0.515 4.865 4.350 0.000 0.000 0.290 288 T C -1.151 173.284 174.700 -0.441 0.000 0.993 288 T CA -0.368 61.367 62.100 -0.610 0.000 0.975 288 T CB 0.902 69.281 68.868 -0.815 0.000 0.981 288 T HN 0.557 nan 8.240 nan 0.000 0.439 289 c N 3.085 121.655 118.600 -0.050 0.000 2.441 289 c HA 0.778 5.348 4.570 0.000 0.000 0.318 289 c C -0.014 174.232 174.090 0.261 0.000 1.222 289 c CA -0.865 55.526 56.329 0.102 0.000 1.474 289 c CB 0.879 43.474 42.510 0.141 0.000 2.125 289 c HN 0.693 nan 8.230 nan 0.000 0.479 290 V N 2.476 122.537 119.914 0.245 0.000 2.459 290 V HA 0.618 4.738 4.120 0.000 0.000 0.295 290 V C 0.147 176.339 176.094 0.164 0.000 1.029 290 V CA -0.094 62.351 62.300 0.241 0.000 0.874 290 V CB 1.114 33.064 31.823 0.212 0.000 0.985 290 V HN 1.166 nan 8.190 nan 0.000 0.438 291 c N 3.394 122.071 118.600 0.129 0.000 3.292 291 c HA 0.746 5.316 4.570 0.000 0.000 0.369 291 c C 0.030 174.122 174.090 0.004 0.000 2.360 291 c CA -1.066 55.315 56.329 0.086 0.000 1.526 291 c CB 1.723 44.336 42.510 0.173 0.000 2.784 291 c HN 0.906 nan 8.230 nan 0.000 0.490 292 R N 1.192 121.688 120.500 -0.006 0.000 2.393 292 R HA 0.410 4.750 4.340 0.000 0.000 0.315 292 R C -1.713 174.607 176.300 0.033 0.000 0.952 292 R CA -0.007 56.082 56.100 -0.018 0.000 0.842 292 R CB 0.938 31.208 30.300 -0.050 0.000 1.163 292 R HN 0.834 nan 8.270 nan 0.000 0.450 293 D N 3.376 123.822 120.400 0.077 0.000 2.428 293 D HA 0.062 4.702 4.640 0.000 0.000 0.221 293 D C -0.135 176.293 176.300 0.212 0.000 1.123 293 D CA -0.196 53.941 54.000 0.228 0.000 0.869 293 D CB 1.134 42.082 40.800 0.247 0.000 1.032 293 D HN 0.657 nan 8.370 nan 0.000 0.506 294 N N 3.130 122.032 118.700 0.337 0.000 2.412 294 N HA -0.002 4.738 4.740 0.000 0.000 0.184 294 N C 0.988 176.551 175.510 0.089 0.000 1.101 294 N CA 0.107 53.268 53.050 0.184 0.000 0.881 294 N CB 0.103 38.745 38.487 0.258 0.000 0.969 294 N HN 0.507 nan 8.380 nan 0.000 0.459 295 W N 1.009 122.046 121.300 -0.438 0.000 2.519 295 W HA 0.044 4.704 4.660 0.000 0.000 0.313 295 W C 0.330 176.688 176.519 -0.267 0.000 1.156 295 W CA 1.862 58.853 57.345 -0.590 0.000 1.394 295 W CB -0.588 28.157 29.460 -1.193 0.000 1.154 295 W HN 0.323 nan 8.180 nan 0.000 0.498 296 H N -1.878 117.028 119.070 -0.273 0.000 3.204 296 H HA 0.517 5.073 4.556 0.000 0.000 0.240 296 H C -0.213 174.915 175.328 -0.333 0.000 1.259 296 H CA -0.957 54.854 56.048 -0.394 0.000 0.991 296 H CB -0.523 28.788 29.762 -0.752 0.000 2.583 296 H HN 0.063 nan 8.280 nan 0.000 0.638 297 G N -0.573 108.251 108.800 0.041 0.000 2.566 297 G HA2 0.455 4.416 3.960 0.000 0.000 0.311 297 G HA3 0.455 4.416 3.960 0.000 0.000 0.311 297 G C -0.078 174.798 174.900 -0.039 0.000 1.322 297 G CA -0.627 44.450 45.100 -0.039 0.000 0.969 297 G HN 0.155 nan 8.290 nan 0.000 0.490 298 S N 0.568 116.194 115.700 -0.122 0.000 2.502 298 S HA 0.082 4.552 4.470 0.000 0.000 0.215 298 S C 0.982 175.565 174.600 -0.028 0.000 1.009 298 S CA -0.298 57.817 58.200 -0.141 0.000 0.908 298 S CB -0.017 62.960 63.200 -0.372 0.000 0.801 298 S HN 0.821 nan 8.310 nan 0.000 0.505 299 N N 1.473 120.200 118.700 0.046 0.000 2.459 299 N HA 0.312 5.052 4.740 0.000 0.000 0.288 299 N C -0.866 174.749 175.510 0.174 0.000 1.186 299 N CA -0.676 52.471 53.050 0.161 0.000 0.917 299 N CB 0.861 39.475 38.487 0.213 0.000 1.219 299 N HN -0.020 nan 8.380 nan 0.000 0.525 300 R N 0.057 120.618 120.500 0.102 0.000 2.368 300 R HA 0.451 4.791 4.340 0.000 0.000 0.302 300 R C -2.126 174.083 176.300 -0.151 0.000 1.002 300 R CA -1.497 54.606 56.100 0.005 0.000 0.929 300 R CB 1.385 31.668 30.300 -0.028 0.000 1.073 300 R HN 0.529 nan 8.270 nan 0.000 0.464 301 P HA 0.221 nan 4.420 nan 0.000 0.284 301 P C -0.917 176.292 177.300 -0.152 0.000 1.258 301 P CA -0.400 62.123 63.100 -0.962 0.000 0.824 301 P CB 0.985 31.787 31.700 -1.496 0.000 1.038 302 W N 0.474 121.739 121.300 -0.058 0.000 2.992 302 W HA 0.693 5.353 4.660 0.000 0.000 0.342 302 W C -2.273 174.412 176.519 0.276 0.000 1.176 302 W CA -1.270 56.171 57.345 0.159 0.000 1.118 302 W CB 0.866 30.400 29.460 0.125 0.000 1.457 302 W HN 0.010 nan 8.180 nan 0.000 0.573 303 V N 2.001 122.230 119.914 0.526 0.000 2.817 303 V HA 0.430 4.550 4.120 0.000 0.000 0.303 303 V C -0.354 176.009 176.094 0.449 0.000 1.151 303 V CA -0.693 61.799 62.300 0.321 0.000 0.929 303 V CB 1.362 33.167 31.823 -0.029 0.000 1.030 303 V HN 0.711 nan 8.190 nan 0.000 0.427 304 S N 3.635 119.631 115.700 0.494 0.000 2.570 304 S HA 1.016 5.486 4.470 0.000 0.000 0.286 304 S C -1.000 173.756 174.600 0.260 0.000 1.099 304 S CA -0.727 57.571 58.200 0.164 0.000 0.913 304 S CB 2.513 65.809 63.200 0.160 0.000 1.085 304 S HN 1.258 nan 8.310 nan 0.000 0.480 305 F N -0.963 118.997 119.950 0.016 0.000 2.713 305 F HA 0.700 5.227 4.527 0.000 0.000 0.311 305 F C -0.740 174.999 175.800 -0.102 0.000 1.141 305 F CA -1.164 56.839 58.000 0.005 0.000 0.939 305 F CB 0.443 39.468 39.000 0.042 0.000 1.325 305 F HN 0.655 nan 8.300 nan 0.000 0.453 309 N N 0.520 119.328 118.700 0.180 0.000 2.203 309 N HA 0.132 4.872 4.740 0.000 0.000 0.207 309 N C -0.129 175.454 175.510 0.121 0.000 1.130 309 N CA 0.352 53.482 53.050 0.133 0.000 0.861 309 N CB 0.896 39.430 38.487 0.077 0.000 1.005 309 N HN 0.062 nan 8.380 nan 0.000 0.507 310 L N 0.561 121.887 121.223 0.171 0.000 4.351 310 L HA -0.224 4.117 4.340 0.000 0.000 0.410 310 L C -0.295 176.671 176.870 0.161 0.000 1.150 310 L CA 0.753 55.647 54.840 0.090 0.000 0.961 310 L CB -2.184 39.857 42.059 -0.031 0.000 2.130 310 L HN 0.194 nan 8.230 nan 0.000 0.787 311 E N -0.137 120.151 120.200 0.148 0.000 2.290 311 E HA 0.471 4.821 4.350 0.000 0.000 0.277 311 E C -0.084 176.612 176.600 0.160 0.000 1.035 311 E CA -0.125 56.317 56.400 0.070 0.000 0.873 311 E CB 0.659 30.370 29.700 0.018 0.000 1.029 311 E HN 0.391 nan 8.360 nan 0.000 0.419 312 Y N 0.055 120.394 120.300 0.066 0.000 2.790 312 Y HA 0.608 5.158 4.550 0.000 0.000 0.323 312 Y C -0.704 175.254 175.900 0.096 0.000 1.230 312 Y CA -1.226 56.948 58.100 0.123 0.000 1.121 312 Y CB 1.331 39.841 38.460 0.084 0.000 1.328 312 Y HN 0.300 nan 8.280 nan 0.000 0.514 313 Q N 1.348 121.359 119.800 0.352 0.000 2.377 313 Q HA 0.689 5.029 4.340 0.000 0.000 0.279 313 Q C -1.396 174.693 176.000 0.147 0.000 1.049 313 Q CA -0.989 54.956 55.803 0.236 0.000 0.825 313 Q CB 3.570 32.507 28.738 0.331 0.000 1.401 313 Q HN 0.796 nan 8.270 nan 0.000 0.404 314 I N -2.623 117.849 120.570 -0.162 0.000 3.042 314 I HA 1.021 5.191 4.170 0.000 0.000 0.310 314 I C -0.150 175.431 176.117 -0.893 0.000 1.117 314 I CA -0.852 60.102 61.300 -0.577 0.000 1.003 314 I CB 2.438 40.187 38.000 -0.418 0.000 1.228 314 I HN 0.710 nan 8.210 nan 0.000 0.443 315 G N 1.236 109.390 108.800 -1.076 0.000 2.325 315 G HA2 0.468 4.428 3.960 0.000 0.000 0.295 315 G HA3 0.468 4.428 3.960 0.000 0.000 0.295 315 G C -2.552 171.980 174.900 -0.613 0.000 1.274 315 G CA -0.618 44.106 45.100 -0.627 0.000 0.857 315 G HN 0.629 nan 8.290 nan 0.000 0.499 316 Y N -0.644 119.562 120.300 -0.157 0.000 2.524 316 Y HA 0.588 5.138 4.550 0.000 0.000 0.347 316 Y C 0.589 176.507 175.900 0.030 0.000 1.005 316 Y CA -0.711 57.356 58.100 -0.056 0.000 1.025 316 Y CB 2.064 40.416 38.460 -0.181 0.000 1.275 316 Y HN 0.491 nan 8.280 nan 0.000 0.460 317 I N 2.866 123.459 120.570 0.039 0.000 2.587 317 I HA -0.098 4.072 4.170 0.000 0.000 0.284 317 I C 0.429 176.496 176.117 -0.083 0.000 1.134 317 I CA 0.209 61.364 61.300 -0.241 0.000 1.410 317 I CB 0.402 38.253 38.000 -0.248 0.000 1.392 317 I HN 0.802 nan 8.210 nan 0.000 0.545 318 c N 3.225 121.758 118.600 -0.112 0.000 2.500 318 c HA -0.027 4.543 4.570 0.000 0.000 0.273 318 c C 1.734 175.769 174.090 -0.091 0.000 1.428 318 c CA -0.205 56.090 56.329 -0.056 0.000 1.766 318 c CB -1.272 41.220 42.510 -0.030 0.000 1.817 318 c HN 0.871 nan 8.230 nan 0.000 0.543 319 S N 1.267 116.889 115.700 -0.130 0.000 2.558 319 S HA 0.259 4.729 4.470 0.000 0.000 0.291 319 S C 1.359 175.765 174.600 -0.323 0.000 1.306 319 S CA 0.521 58.608 58.200 -0.188 0.000 1.056 319 S CB 0.644 63.732 63.200 -0.188 0.000 0.836 319 S HN 0.608 nan 8.310 nan 0.000 0.504 320 G N 2.785 111.352 108.800 -0.388 0.000 2.848 320 G HA2 0.112 4.072 3.960 0.000 0.000 0.208 320 G HA3 0.112 4.072 3.960 0.000 0.000 0.208 320 G C 0.188 174.536 174.900 -0.921 0.000 1.152 320 G CA 0.011 44.697 45.100 -0.691 0.000 0.789 320 G HN 0.661 nan 8.290 nan 0.000 0.531 321 V N 2.675 122.260 119.914 -0.549 0.000 2.162 321 V HA 0.271 4.391 4.120 0.000 0.000 0.255 321 V C -0.089 175.799 176.094 -0.344 0.000 1.304 321 V CA -1.113 60.948 62.300 -0.399 0.000 1.198 321 V CB -1.192 30.460 31.823 -0.286 0.000 1.333 321 V HN 0.221 nan 8.190 nan 0.000 0.493 322 F N 1.657 121.551 119.950 -0.094 0.000 2.623 322 F HA 0.112 4.639 4.527 0.000 0.000 0.386 322 F C 1.672 177.396 175.800 -0.125 0.000 1.068 322 F CA 0.753 58.695 58.000 -0.097 0.000 1.265 322 F CB 0.489 39.444 39.000 -0.076 0.000 1.026 322 F HN 0.441 nan 8.300 nan 0.000 0.568 323 G N 1.189 110.025 108.800 0.060 0.000 2.833 323 G HA2 -0.050 3.910 3.960 0.000 0.000 0.210 323 G HA3 -0.050 3.910 3.960 0.000 0.000 0.210 323 G C 0.105 174.967 174.900 -0.064 0.000 1.139 323 G CA -0.038 45.023 45.100 -0.065 0.000 0.771 323 G HN 0.540 nan 8.290 nan 0.000 0.535 324 D N 0.266 120.658 120.400 -0.014 0.000 2.411 324 D HA 0.234 4.874 4.640 0.000 0.000 0.251 324 D C -0.477 175.812 176.300 -0.019 0.000 1.201 324 D CA -0.409 53.573 54.000 -0.030 0.000 0.996 324 D CB 0.697 41.484 40.800 -0.022 0.000 1.101 324 D HN 0.097 nan 8.370 nan 0.000 0.504 325 N N 0.923 119.613 118.700 -0.016 0.000 2.519 325 N HA 0.213 4.953 4.740 0.000 0.000 0.291 325 N C -2.984 172.548 175.510 0.037 0.000 1.107 325 N CA -1.288 51.776 53.050 0.024 0.000 0.904 325 N CB 2.439 40.959 38.487 0.055 0.000 1.500 325 N HN 0.135 nan 8.380 nan 0.000 0.510 326 P HA 0.175 nan 4.420 nan 0.000 0.272 326 P C -0.836 176.469 177.300 0.007 0.000 1.254 326 P CA 0.151 63.293 63.100 0.069 0.000 0.795 326 P CB 1.031 32.790 31.700 0.099 0.000 1.022 327 R N -2.240 118.248 120.500 -0.019 0.000 2.774 327 R HA 0.541 4.881 4.340 0.000 0.000 0.279 327 R C -3.161 173.080 176.300 -0.098 0.000 1.022 327 R CA -1.686 54.358 56.100 -0.094 0.000 0.855 327 R CB 0.395 30.670 30.300 -0.041 0.000 1.279 327 R HN 0.183 nan 8.270 nan 0.000 0.485 328 P HA 0.184 nan 4.420 nan 0.000 0.284 328 P C -0.925 176.400 177.300 0.043 0.000 1.292 328 P CA -0.600 62.427 63.100 -0.122 0.000 0.800 328 P CB 0.607 32.157 31.700 -0.251 0.000 1.188 329 N N 0.549 119.297 118.700 0.079 0.000 2.453 329 N HA 0.051 4.791 4.740 0.000 0.000 0.253 329 N C -0.030 175.639 175.510 0.265 0.000 1.252 329 N CA 0.254 53.384 53.050 0.132 0.000 0.917 329 N CB -0.151 38.384 38.487 0.079 0.000 1.117 329 N HN 0.350 nan 8.380 nan 0.000 0.442 330 D N 0.073 120.591 120.400 0.198 0.000 2.472 330 D HA 0.272 4.912 4.640 0.000 0.000 0.237 330 D C 0.908 177.252 176.300 0.074 0.000 1.141 330 D CA 0.624 54.681 54.000 0.094 0.000 0.875 330 D CB 0.878 41.667 40.800 -0.018 0.000 1.192 330 D HN 0.644 nan 8.370 nan 0.000 0.450 331 G N 0.562 109.339 108.800 -0.038 0.000 2.929 331 G HA2 0.166 4.127 3.960 0.000 0.000 0.123 331 G HA3 0.166 4.127 3.960 0.000 0.000 0.123 331 G C -1.007 173.841 174.900 -0.087 0.000 1.212 331 G CA -0.437 44.667 45.100 0.007 0.000 1.238 331 G HN 0.360 nan 8.290 nan 0.000 0.617 332 T N 1.400 115.968 114.554 0.022 0.000 2.738 332 T HA 0.591 4.941 4.350 0.000 0.000 0.298 332 T C 0.666 175.404 174.700 0.063 0.000 0.962 332 T CA 0.407 62.503 62.100 -0.007 0.000 0.972 332 T CB 0.849 69.722 68.868 0.009 0.000 0.928 332 T HN 0.802 nan 8.240 nan 0.000 0.474 340 P HA 0.319 nan 4.420 nan 0.000 0.267 340 P C -0.127 176.756 177.300 -0.694 0.000 1.209 340 P CA -0.152 62.197 63.100 -1.252 0.000 0.763 340 P CB 1.113 32.090 31.700 -1.206 0.000 0.816 341 V N 4.308 123.933 119.914 -0.482 0.000 2.368 341 V HA 0.120 4.240 4.120 0.000 0.000 0.266 341 V C 1.046 176.921 176.094 -0.366 0.000 1.045 341 V CA -0.113 61.971 62.300 -0.361 0.000 0.899 341 V CB 0.450 32.081 31.823 -0.321 0.000 1.006 341 V HN 0.664 nan 8.190 nan 0.000 0.470 345 G N 0.133 108.880 108.800 -0.088 0.000 2.665 345 G HA2 0.321 4.281 3.960 0.000 0.000 0.220 345 G HA3 0.321 4.281 3.960 0.000 0.000 0.220 345 G C 0.634 175.548 174.900 0.023 0.000 1.002 345 G CA -0.013 45.059 45.100 -0.046 0.000 0.893 345 G HN 1.323 nan 8.290 nan 0.000 0.586 346 A N -0.614 122.237 122.820 0.052 0.000 2.255 346 A HA 0.579 4.899 4.320 0.000 0.000 0.206 346 A C 0.665 178.369 177.584 0.200 0.000 1.193 346 A CA 1.407 53.506 52.037 0.104 0.000 0.794 346 A CB -0.126 18.924 19.000 0.083 0.000 0.794 346 A HN 1.235 nan 8.150 nan 0.000 0.481 347 Y N -2.227 118.095 120.300 0.038 0.000 3.119 347 Y HA 0.551 5.101 4.550 0.000 0.000 0.247 347 Y C 0.529 176.470 175.900 0.068 0.000 2.296 347 Y CA -0.341 57.793 58.100 0.058 0.000 0.956 347 Y CB 0.254 38.745 38.460 0.052 0.000 2.059 347 Y HN 0.458 nan 8.280 nan 0.000 0.428 348 G N 0.178 108.605 108.800 -0.622 0.000 2.368 348 G HA2 0.465 4.426 3.960 0.000 0.000 0.269 348 G HA3 0.465 4.426 3.960 0.000 0.000 0.269 348 G C -2.204 172.402 174.900 -0.490 0.000 1.291 348 G CA 0.017 44.875 45.100 -0.404 0.000 0.903 348 G HN 1.330 nan 8.290 nan 0.000 0.483 349 V N -0.306 119.445 119.914 -0.271 0.000 3.036 349 V HA 0.605 4.725 4.120 0.000 0.000 0.280 349 V C -0.623 175.291 176.094 -0.300 0.000 1.497 349 V CA -0.391 61.776 62.300 -0.220 0.000 0.982 349 V CB 1.854 33.658 31.823 -0.032 0.000 1.171 349 V HN 1.175 nan 8.190 nan 0.000 0.444 350 K N 3.244 123.251 120.400 -0.655 0.000 2.382 350 K HA 0.635 4.955 4.320 0.000 0.000 0.275 350 K C 0.117 176.587 176.600 -0.216 0.000 1.009 350 K CA 0.903 56.881 56.287 -0.516 0.000 0.970 350 K CB 0.968 32.956 32.500 -0.853 0.000 0.934 350 K HN 1.116 nan 8.250 nan 0.000 0.479 351 G N 2.164 110.907 108.800 -0.095 0.000 2.815 351 G HA2 0.672 4.632 3.960 0.000 0.000 0.305 351 G HA3 0.672 4.632 3.960 0.000 0.000 0.305 351 G C -1.537 173.397 174.900 0.056 0.000 1.277 351 G CA -0.761 44.317 45.100 -0.036 0.000 0.795 351 G HN 0.674 nan 8.290 nan 0.000 0.528 352 F N -2.406 117.468 119.950 -0.127 0.000 2.817 352 F HA 0.867 5.394 4.527 0.000 0.000 0.317 352 F C -0.784 174.923 175.800 -0.156 0.000 1.168 352 F CA -1.314 56.596 58.000 -0.151 0.000 0.911 352 F CB 1.465 40.313 39.000 -0.252 0.000 1.337 352 F HN 0.668 nan 8.300 nan 0.000 0.464 353 S N 0.114 115.746 115.700 -0.112 0.000 2.556 353 S HA 0.598 5.068 4.470 0.000 0.000 0.280 353 S C -1.948 172.694 174.600 0.069 0.000 1.141 353 S CA -0.695 57.473 58.200 -0.053 0.000 0.883 353 S CB 1.219 64.455 63.200 0.059 0.000 1.103 353 S HN 0.604 nan 8.310 nan 0.000 0.453 354 F N 2.365 122.600 119.950 0.475 0.000 2.427 354 F HA 0.496 5.023 4.527 0.000 0.000 0.346 354 F C 0.419 176.480 175.800 0.436 0.000 1.120 354 F CA -0.639 57.577 58.000 0.361 0.000 1.033 354 F CB 1.341 40.579 39.000 0.396 0.000 1.126 354 F HN 0.338 nan 8.300 nan 0.000 0.462 355 K N 4.241 124.849 120.400 0.347 0.000 2.211 355 K HA 0.366 4.686 4.320 0.000 0.000 0.275 355 K C -1.936 174.628 176.600 -0.059 0.000 1.024 355 K CA -0.412 55.880 56.287 0.008 0.000 0.887 355 K CB 0.635 32.604 32.500 -0.885 0.000 1.084 355 K HN 0.630 nan 8.250 nan 0.000 0.463 356 Y N 3.553 123.933 120.300 0.134 0.000 2.363 356 Y HA 0.270 4.820 4.550 0.000 0.000 0.325 356 Y C 0.911 176.859 175.900 0.079 0.000 0.984 356 Y CA 0.398 58.584 58.100 0.144 0.000 1.248 356 Y CB 1.771 40.406 38.460 0.291 0.000 1.116 356 Y HN 1.063 nan 8.280 nan 0.000 0.470 357 G N 2.866 111.703 108.800 0.062 0.000 2.602 357 G HA2 -0.399 3.561 3.960 0.000 0.000 0.310 357 G HA3 -0.399 3.561 3.960 0.000 0.000 0.310 357 G C 0.886 175.751 174.900 -0.058 0.000 1.183 357 G CA 0.783 45.892 45.100 0.015 0.000 0.979 357 G HN 0.571 nan 8.290 nan 0.000 0.545 358 N N 2.556 121.267 118.700 0.018 0.000 2.236 358 N HA 0.278 5.018 4.740 0.000 0.000 0.196 358 N C 0.897 176.443 175.510 0.059 0.000 1.114 358 N CA 0.947 54.017 53.050 0.032 0.000 0.859 358 N CB 0.658 39.175 38.487 0.050 0.000 0.982 358 N HN 0.803 nan 8.380 nan 0.000 0.493 359 G N 0.448 109.286 108.800 0.062 0.000 2.437 359 G HA2 0.525 4.485 3.960 0.000 0.000 0.319 359 G HA3 0.525 4.485 3.960 0.000 0.000 0.319 359 G C -0.339 174.614 174.900 0.089 0.000 1.158 359 G CA -0.347 44.681 45.100 -0.119 0.000 0.899 359 G HN -0.023 nan 8.290 nan 0.000 0.502 360 V N -2.175 117.663 119.914 -0.126 0.000 2.733 360 V HA 0.628 4.748 4.120 0.000 0.000 0.306 360 V C -1.393 174.860 176.094 0.265 0.000 1.084 360 V CA -1.592 60.871 62.300 0.271 0.000 0.905 360 V CB 1.414 33.420 31.823 0.306 0.000 1.010 360 V HN 0.729 nan 8.190 nan 0.000 0.424 361 W N 3.864 125.531 121.300 0.612 0.000 2.338 361 W HA 0.777 5.437 4.660 0.000 0.000 0.307 361 W C -0.160 176.491 176.519 0.221 0.000 1.167 361 W CA -0.342 57.348 57.345 0.576 0.000 1.208 361 W CB 1.509 31.463 29.460 0.822 0.000 1.228 361 W HN 0.536 nan 8.180 nan 0.000 0.499 362 I N 4.049 124.765 120.570 0.243 0.000 2.406 362 I HA 0.460 4.630 4.170 0.000 0.000 0.290 362 I C 0.664 176.575 176.117 -0.345 0.000 0.999 362 I CA -0.754 60.472 61.300 -0.123 0.000 1.124 362 I CB 1.364 39.247 38.000 -0.194 0.000 1.289 362 I HN 0.455 nan 8.210 nan 0.000 0.441 363 G N 6.059 114.410 108.800 -0.748 0.000 2.368 363 G HA2 0.761 4.721 3.960 0.000 0.000 0.320 363 G HA3 0.761 4.721 3.960 0.000 0.000 0.320 363 G C -0.730 173.592 174.900 -0.963 0.000 1.158 363 G CA -0.482 44.031 45.100 -0.979 0.000 0.912 363 G HN 0.768 nan 8.290 nan 0.000 0.456 364 R N 0.026 119.778 120.500 -1.246 0.000 2.752 364 R HA 0.691 5.031 4.340 0.000 0.000 0.271 364 R C -0.198 175.615 176.300 -0.811 0.000 1.026 364 R CA -0.767 54.855 56.100 -0.798 0.000 0.901 364 R CB 0.548 30.588 30.300 -0.434 0.000 1.243 364 R HN 0.557 nan 8.270 nan 0.000 0.463 365 T N -1.068 113.321 114.554 -0.276 0.000 2.828 365 T HA 0.240 4.590 4.350 0.000 0.000 0.290 365 T C 0.651 175.300 174.700 -0.085 0.000 1.019 365 T CA -0.586 61.488 62.100 -0.043 0.000 1.031 365 T CB 1.136 70.064 68.868 0.100 0.000 1.001 365 T HN 0.686 nan 8.240 nan 0.000 0.531 366 K N 0.203 120.601 120.400 -0.004 0.000 2.211 366 K HA 0.116 4.436 4.320 0.000 0.000 0.201 366 K C 1.450 178.054 176.600 0.006 0.000 1.052 366 K CA 0.172 56.450 56.287 -0.014 0.000 0.973 366 K CB 0.075 32.583 32.500 0.013 0.000 0.766 366 K HN 0.580 nan 8.250 nan 0.000 0.466 367 S N -0.159 115.561 115.700 0.033 0.000 2.632 367 S HA 0.086 4.556 4.470 0.000 0.000 0.267 367 S C 0.813 175.439 174.600 0.044 0.000 1.276 367 S CA -0.369 57.855 58.200 0.040 0.000 0.998 367 S CB 1.242 64.477 63.200 0.059 0.000 0.953 367 S HN 0.088 nan 8.310 nan 0.000 0.547 368 T N 2.634 117.215 114.554 0.045 0.000 3.023 368 T HA 0.208 4.558 4.350 0.000 0.000 0.253 368 T C 0.977 175.710 174.700 0.056 0.000 1.038 368 T CA -0.144 61.981 62.100 0.043 0.000 0.962 368 T CB -0.094 68.795 68.868 0.034 0.000 1.018 368 T HN 0.585 nan 8.240 nan 0.000 0.521 369 N N 1.167 119.912 118.700 0.074 0.000 2.557 369 N HA 0.100 4.840 4.740 0.000 0.000 0.217 369 N C 0.865 176.459 175.510 0.140 0.000 1.062 369 N CA 0.241 53.347 53.050 0.093 0.000 0.863 369 N CB 0.417 38.950 38.487 0.076 0.000 1.390 369 N HN 0.395 nan 8.380 nan 0.000 0.445 370 S N 0.197 115.994 115.700 0.162 0.000 2.739 370 S HA 0.501 4.971 4.470 0.000 0.000 0.306 370 S C 0.025 174.780 174.600 0.258 0.000 1.115 370 S CA -0.811 57.533 58.200 0.240 0.000 0.985 370 S CB 1.999 65.395 63.200 0.327 0.000 1.133 370 S HN -0.013 nan 8.310 nan 0.000 0.541 371 R N 1.349 122.048 120.500 0.333 0.000 4.138 371 R HA 0.345 4.685 4.340 0.000 0.000 0.206 371 R C -0.648 175.904 176.300 0.419 0.000 1.667 371 R CA -0.044 56.258 56.100 0.336 0.000 1.481 371 R CB -0.201 30.292 30.300 0.320 0.000 1.388 371 R HN 0.506 nan 8.270 nan 0.000 0.776 372 S N 0.581 116.455 115.700 0.289 0.000 2.502 372 S HA 0.711 5.181 4.470 0.000 0.000 0.304 372 S C 0.195 174.877 174.600 0.138 0.000 1.097 372 S CA -0.480 57.822 58.200 0.171 0.000 1.045 372 S CB 2.067 65.256 63.200 -0.019 0.000 1.019 372 S HN 0.759 nan 8.310 nan 0.000 0.481 373 G N 1.485 110.377 108.800 0.153 0.000 2.814 373 G HA2 0.027 3.987 3.960 0.000 0.000 0.677 373 G HA3 0.027 3.987 3.960 0.000 0.000 0.677 373 G C -1.171 173.907 174.900 0.297 0.000 1.429 373 G CA -0.547 44.656 45.100 0.171 0.000 0.868 373 G HN 0.873 nan 8.290 nan 0.000 0.553 374 F N 0.516 120.517 119.950 0.086 0.000 2.688 374 F HA 0.617 5.144 4.527 0.000 0.000 0.308 374 F C -0.518 175.308 175.800 0.043 0.000 1.117 374 F CA 0.109 58.150 58.000 0.067 0.000 0.976 374 F CB 1.755 40.831 39.000 0.126 0.000 1.291 374 F HN 1.105 nan 8.300 nan 0.000 0.439 375 E N 4.358 124.308 120.200 -0.418 0.000 2.423 375 E HA 0.559 4.909 4.350 0.000 0.000 0.280 375 E C -1.962 174.429 176.600 -0.348 0.000 1.030 375 E CA -1.240 55.044 56.400 -0.194 0.000 0.812 375 E CB 2.292 31.913 29.700 -0.133 0.000 1.313 375 E HN 0.341 nan 8.360 nan 0.000 0.456 376 M N 1.927 121.479 119.600 -0.079 0.000 2.311 376 M HA 0.522 5.002 4.480 0.000 0.000 0.325 376 M C -0.927 175.512 176.300 0.233 0.000 1.061 376 M CA -0.645 54.679 55.300 0.041 0.000 0.957 376 M CB 0.949 33.635 32.600 0.143 0.000 1.646 376 M HN 0.611 nan 8.290 nan 0.000 0.434 377 I N 2.197 122.852 120.570 0.142 0.000 2.498 377 I HA 0.360 4.530 4.170 0.000 0.000 0.290 377 I C -1.021 175.006 176.117 -0.150 0.000 1.032 377 I CA -0.572 60.666 61.300 -0.103 0.000 1.073 377 I CB 2.380 40.061 38.000 -0.531 0.000 1.251 377 I HN 0.723 nan 8.210 nan 0.000 0.426 378 W N 7.614 128.536 121.300 -0.630 0.000 2.283 378 W HA 0.300 4.960 4.660 0.000 0.000 0.317 378 W C -1.140 175.125 176.519 -0.424 0.000 1.042 378 W CA -0.360 56.382 57.345 -1.005 0.000 1.348 378 W CB 1.142 29.682 29.460 -1.534 0.000 1.216 378 W HN 0.477 nan 8.180 nan 0.000 0.404 379 D N 9.660 129.482 120.400 -0.964 0.000 2.473 379 D HA 0.266 4.906 4.640 0.000 0.000 0.226 379 D C -2.215 173.377 176.300 -1.179 0.000 1.089 379 D CA -2.131 51.400 54.000 -0.781 0.000 0.883 379 D CB 1.652 42.210 40.800 -0.403 0.000 1.029 379 D HN 0.116 nan 8.370 nan 0.000 0.517 380 P HA 0.063 nan 4.420 nan 0.000 0.272 380 P C -0.183 176.860 177.300 -0.428 0.000 1.223 380 P CA -0.197 62.366 63.100 -0.894 0.000 0.784 380 P CB 0.481 31.957 31.700 -0.373 0.000 0.923 381 N N 0.345 118.902 118.700 -0.238 0.000 2.707 381 N HA -0.169 4.571 4.740 0.000 0.000 0.253 381 N C 0.980 176.422 175.510 -0.113 0.000 0.998 381 N CA 1.278 54.264 53.050 -0.105 0.000 0.751 381 N CB -1.803 36.641 38.487 -0.072 0.000 0.920 381 N HN 0.781 nan 8.380 nan 0.000 0.539 382 G N -1.681 107.039 108.800 -0.132 0.000 2.944 382 G HA2 -0.051 3.909 3.960 0.000 0.000 0.220 382 G HA3 -0.051 3.909 3.960 0.000 0.000 0.220 382 G C 0.923 175.821 174.900 -0.004 0.000 1.100 382 G CA 0.003 45.035 45.100 -0.114 0.000 0.780 382 G HN 0.480 nan 8.290 nan 0.000 0.539 383 W N 2.740 123.969 121.300 -0.118 0.000 2.518 383 W HA -0.004 4.656 4.660 0.000 0.000 0.273 383 W C 1.462 177.963 176.519 -0.030 0.000 1.247 383 W CA 1.847 59.144 57.345 -0.080 0.000 1.288 383 W CB 0.157 29.553 29.460 -0.106 0.000 1.107 383 W HN 0.241 nan 8.180 nan 0.000 0.586 384 T N -2.671 112.002 114.554 0.197 0.000 2.975 384 T HA 0.151 4.501 4.350 0.000 0.000 0.257 384 T C 0.263 174.999 174.700 0.059 0.000 1.003 384 T CA -0.070 62.119 62.100 0.148 0.000 0.932 384 T CB 0.580 69.559 68.868 0.185 0.000 1.087 384 T HN -0.251 nan 8.240 nan 0.000 0.512 385 E N 1.712 121.922 120.200 0.017 0.000 2.232 385 E HA 0.532 4.882 4.350 0.000 0.000 0.264 385 E C -0.932 175.641 176.600 -0.046 0.000 0.973 385 E CA -0.596 55.795 56.400 -0.015 0.000 0.849 385 E CB 1.611 31.293 29.700 -0.030 0.000 1.198 385 E HN 0.018 nan 8.360 nan 0.000 0.407 386 T N 2.127 116.651 114.554 -0.050 0.000 2.963 386 T HA 0.465 4.816 4.350 0.000 0.000 0.343 386 T C -1.106 173.543 174.700 -0.085 0.000 1.146 386 T CA -0.733 61.324 62.100 -0.071 0.000 1.016 386 T CB -0.107 68.732 68.868 -0.048 0.000 1.046 386 T HN 0.503 nan 8.240 nan 0.000 0.496 387 D N 0.063 120.392 120.400 -0.119 0.000 2.685 387 D HA 0.225 4.865 4.640 0.000 0.000 0.236 387 D C 0.235 176.450 176.300 -0.142 0.000 1.233 387 D CA -0.894 53.038 54.000 -0.114 0.000 0.760 387 D CB 0.454 41.201 40.800 -0.088 0.000 1.410 387 D HN 0.138 nan 8.370 nan 0.000 0.439 388 S N -0.512 115.112 115.700 -0.127 0.000 2.679 388 S HA 0.289 4.759 4.470 0.000 0.000 0.233 388 S C 0.361 174.946 174.600 -0.025 0.000 0.951 388 S CA -0.336 57.803 58.200 -0.102 0.000 0.973 388 S CB -0.802 62.336 63.200 -0.104 0.000 0.778 388 S HN 0.700 nan 8.310 nan 0.000 0.477 389 S N 1.539 117.197 115.700 -0.069 0.000 2.541 389 S HA 0.802 5.272 4.470 0.000 0.000 0.283 389 S C -0.458 174.110 174.600 -0.054 0.000 1.196 389 S CA -0.898 57.220 58.200 -0.137 0.000 1.062 389 S CB 0.469 63.577 63.200 -0.152 0.000 1.009 389 S HN 0.551 nan 8.310 nan 0.000 0.502 390 F N -0.591 119.267 119.950 -0.153 0.000 2.662 390 F HA 0.744 5.271 4.527 0.000 0.000 0.312 390 F C 0.638 176.356 175.800 -0.136 0.000 1.113 390 F CA -1.123 56.760 58.000 -0.196 0.000 0.951 390 F CB 0.841 39.720 39.000 -0.202 0.000 1.344 390 F HN 0.419 nan 8.300 nan 0.000 0.462 391 S N 0.142 115.910 115.700 0.112 0.000 2.355 391 S HA 0.263 4.733 4.470 0.000 0.000 0.216 391 S C 0.455 175.208 174.600 0.255 0.000 1.037 391 S CA 0.771 59.046 58.200 0.126 0.000 0.955 391 S CB 0.120 63.433 63.200 0.188 0.000 0.877 391 S HN 0.412 nan 8.310 nan 0.000 0.488 395 Q N 3.633 123.605 119.800 0.287 0.000 2.292 395 Q HA 0.254 4.594 4.340 0.000 0.000 0.270 395 Q C -1.309 174.832 176.000 0.235 0.000 1.024 395 Q CA -0.725 55.256 55.803 0.297 0.000 0.768 395 Q CB 1.444 30.424 28.738 0.403 0.000 1.250 395 Q HN 0.521 nan 8.270 nan 0.000 0.447 396 D N 4.187 124.726 120.400 0.232 0.000 2.389 396 D HA 0.108 4.748 4.640 0.000 0.000 0.247 396 D C 0.390 176.879 176.300 0.314 0.000 1.128 396 D CA 0.151 54.283 54.000 0.220 0.000 0.884 396 D CB 1.352 42.266 40.800 0.189 0.000 1.194 396 D HN 0.525 nan 8.370 nan 0.000 0.441 397 I N 1.182 121.948 120.570 0.327 0.000 3.971 397 I HA 0.030 4.200 4.170 0.000 0.000 0.303 397 I C -0.029 176.386 176.117 0.497 0.000 1.233 397 I CA 0.503 62.082 61.300 0.465 0.000 1.346 397 I CB 0.787 39.011 38.000 0.374 0.000 1.273 397 I HN 0.144 nan 8.210 nan 0.000 0.448 398 V N 0.626 120.747 119.914 0.345 0.000 2.891 398 V HA 0.705 4.825 4.120 0.000 0.000 0.304 398 V C -0.325 175.852 176.094 0.137 0.000 1.171 398 V CA -1.358 61.087 62.300 0.242 0.000 0.943 398 V CB 1.523 33.524 31.823 0.297 0.000 1.037 398 V HN 0.102 nan 8.190 nan 0.000 0.427 399 A N 3.708 126.553 122.820 0.042 0.000 2.445 399 A HA 0.533 4.853 4.320 0.000 0.000 0.242 399 A C 1.202 178.781 177.584 -0.009 0.000 1.075 399 A CA -0.118 51.920 52.037 0.000 0.000 0.777 399 A CB -0.009 18.957 19.000 -0.057 0.000 1.013 399 A HN 0.881 nan 8.150 nan 0.000 0.493 400 I N 1.315 121.875 120.570 -0.016 0.000 2.399 400 I HA -0.263 3.907 4.170 0.000 0.000 0.254 400 I C 2.309 178.356 176.117 -0.116 0.000 1.146 400 I CA 1.943 63.219 61.300 -0.039 0.000 1.412 400 I CB -0.822 37.161 38.000 -0.029 0.000 1.076 400 I HN 0.828 nan 8.210 nan 0.000 0.432 401 T N -3.159 111.317 114.554 -0.129 0.000 3.118 401 T HA 0.060 4.410 4.350 0.000 0.000 0.260 401 T C 0.558 175.077 174.700 -0.301 0.000 1.139 401 T CA 0.166 62.145 62.100 -0.202 0.000 1.085 401 T CB -0.238 68.546 68.868 -0.140 0.000 0.934 401 T HN 0.156 nan 8.240 nan 0.000 0.518 402 D N 0.285 120.547 120.400 -0.230 0.000 2.342 402 D HA 0.291 4.931 4.640 0.000 0.000 0.243 402 D C -0.789 175.424 176.300 -0.145 0.000 1.019 402 D CA -0.689 53.179 54.000 -0.219 0.000 0.864 402 D CB 1.292 42.060 40.800 -0.053 0.000 1.315 402 D HN 0.383 nan 8.370 nan 0.000 0.468 403 W N 1.481 122.829 121.300 0.079 0.000 2.210 403 W HA 0.152 4.812 4.660 0.000 0.000 0.330 403 W C 1.444 178.042 176.519 0.132 0.000 1.334 403 W CA -0.225 57.177 57.345 0.095 0.000 1.227 403 W CB 0.619 30.121 29.460 0.070 0.000 1.178 403 W HN 0.286 nan 8.180 nan 0.000 0.560 404 S N 2.003 117.974 115.700 0.452 0.000 3.565 404 S HA 0.983 5.453 4.470 0.000 0.000 0.242 404 S C 0.178 174.984 174.600 0.343 0.000 1.023 404 S CA -0.120 58.295 58.200 0.358 0.000 1.300 404 S CB 1.472 64.893 63.200 0.369 0.000 1.198 404 S HN 0.932 nan 8.310 nan 0.000 0.697 405 G N -0.643 108.364 108.800 0.345 0.000 2.513 405 G HA2 0.321 4.281 3.960 0.000 0.000 0.182 405 G HA3 0.321 4.281 3.960 0.000 0.000 0.182 405 G C -1.620 173.557 174.900 0.462 0.000 1.190 405 G CA -0.677 44.645 45.100 0.371 0.000 0.987 405 G HN 0.577 nan 8.290 nan 0.000 0.479 406 Y N 1.418 121.888 120.300 0.283 0.000 2.546 406 Y HA 0.460 5.010 4.550 0.000 0.000 0.351 406 Y C 1.265 177.294 175.900 0.214 0.000 1.266 406 Y CA 0.085 58.373 58.100 0.314 0.000 1.487 406 Y CB 0.915 39.669 38.460 0.490 0.000 1.365 406 Y HN 0.889 nan 8.280 nan 0.000 0.642 407 S N -0.144 115.567 115.700 0.019 0.000 2.533 407 S HA 0.851 5.321 4.470 0.000 0.000 0.271 407 S C -0.688 173.388 174.600 -0.873 0.000 1.143 407 S CA -0.335 57.535 58.200 -0.550 0.000 0.891 407 S CB 1.693 64.857 63.200 -0.061 0.000 1.105 407 S HN 1.037 nan 8.310 nan 0.000 0.468 408 G N 0.808 108.425 108.800 -1.971 0.000 2.694 408 G HA2 0.731 4.692 3.960 0.000 0.000 0.290 408 G HA3 0.731 4.692 3.960 0.000 0.000 0.290 408 G C -0.739 173.589 174.900 -0.953 0.000 1.386 408 G CA -0.437 44.071 45.100 -0.987 0.000 0.872 408 G HN 1.484 nan 8.290 nan 0.000 0.475 409 S N -1.053 114.437 115.700 -0.351 0.000 2.608 409 S HA 0.882 5.352 4.470 0.000 0.000 0.291 409 S C -0.674 174.137 174.600 0.351 0.000 1.146 409 S CA -0.660 57.395 58.200 -0.243 0.000 1.043 409 S CB 1.321 64.369 63.200 -0.253 0.000 1.037 409 S HN 1.570 nan 8.310 nan 0.000 0.520 410 F N -0.719 119.381 119.950 0.250 0.000 2.654 410 F HA 0.838 5.366 4.527 0.000 0.000 0.308 410 F C -1.147 174.800 175.800 0.244 0.000 1.108 410 F CA -1.174 57.009 58.000 0.304 0.000 0.957 410 F CB 0.478 39.701 39.000 0.371 0.000 1.309 410 F HN 0.481 nan 8.300 nan 0.000 0.446 411 V N 1.696 121.841 119.914 0.386 0.000 4.850 411 V HA 0.572 4.692 4.120 0.000 0.000 0.283 411 V C 0.552 176.767 176.094 0.202 0.000 1.437 411 V CA -0.066 62.338 62.300 0.173 0.000 0.825 411 V CB 1.162 33.105 31.823 0.200 0.000 1.338 411 V HN 1.438 nan 8.190 nan 0.000 0.445 412 L N -1.377 119.883 121.223 0.061 0.000 2.794 412 L HA -0.219 4.121 4.340 0.000 0.000 0.442 412 L C 1.074 177.962 176.870 0.030 0.000 0.710 412 L CA 2.542 57.409 54.840 0.046 0.000 2.990 412 L CB -1.800 40.286 42.059 0.045 0.000 0.803 412 L HN 0.680 nan 8.230 nan 0.000 0.711 413 T N -0.694 113.875 114.554 0.025 0.000 3.023 413 T HA 0.484 4.834 4.350 0.000 0.000 0.249 413 T C 1.474 176.179 174.700 0.008 0.000 1.050 413 T CA 1.132 63.240 62.100 0.013 0.000 1.088 413 T CB 0.441 69.309 68.868 -0.001 0.000 0.946 413 T HN 1.365 nan 8.240 nan 0.000 0.480 414 G N 1.035 109.842 108.800 0.011 0.000 2.199 414 G HA2 -0.208 3.752 3.960 0.000 0.000 0.254 414 G HA3 -0.208 3.752 3.960 0.000 0.000 0.254 414 G C 0.043 174.943 174.900 -0.000 0.000 0.982 414 G CA -0.040 45.065 45.100 0.007 0.000 0.632 414 G HN 0.371 nan 8.290 nan 0.000 0.529 415 L N 1.517 122.736 121.223 -0.006 0.000 2.475 415 L HA 0.480 4.820 4.340 0.000 0.000 0.250 415 L C 1.266 178.129 176.870 -0.011 0.000 1.224 415 L CA 0.532 55.363 54.840 -0.015 0.000 0.821 415 L CB 0.668 42.711 42.059 -0.027 0.000 1.141 415 L HN 0.344 nan 8.230 nan 0.000 0.494 416 D N -1.078 119.313 120.400 -0.015 0.000 2.525 416 D HA 0.165 4.805 4.640 0.000 0.000 0.229 416 D C -0.419 175.872 176.300 -0.015 0.000 1.202 416 D CA -0.306 53.687 54.000 -0.012 0.000 0.828 416 D CB -0.232 40.561 40.800 -0.011 0.000 1.008 416 D HN 0.425 nan 8.370 nan 0.000 0.493 417 c N -1.747 116.841 118.600 -0.020 0.000 3.311 417 c HA 0.646 5.216 4.570 0.000 0.000 0.325 417 c C -0.216 173.856 174.090 -0.030 0.000 1.352 417 c CA -1.326 54.988 56.329 -0.025 0.000 1.308 417 c CB 0.390 42.880 42.510 -0.033 0.000 1.619 417 c HN 0.160 nan 8.230 nan 0.000 0.469 418 I N 2.571 123.123 120.570 -0.030 0.000 2.347 418 I HA 0.275 4.445 4.170 0.000 0.000 0.294 418 I C 0.887 176.955 176.117 -0.082 0.000 1.090 418 I CA 0.228 61.511 61.300 -0.029 0.000 1.314 418 I CB 0.268 38.271 38.000 0.005 0.000 1.423 418 I HN 0.704 nan 8.210 nan 0.000 0.503 419 R N 9.795 130.238 120.500 -0.095 0.000 2.389 419 R HA 0.340 4.680 4.340 0.000 0.000 0.295 419 R C -2.512 173.646 176.300 -0.236 0.000 1.075 419 R CA -1.182 54.817 56.100 -0.168 0.000 1.005 419 R CB 0.840 31.049 30.300 -0.152 0.000 0.987 419 R HN 0.267 nan 8.270 nan 0.000 0.452 420 P HA 0.277 nan 4.420 nan 0.000 0.294 420 P C -0.992 176.099 177.300 -0.350 0.000 1.294 420 P CA -0.499 62.269 63.100 -0.554 0.000 0.827 420 P CB 1.479 32.439 31.700 -1.233 0.000 0.992 421 c N 2.827 121.185 118.600 -0.404 0.000 3.285 421 c HA 0.845 5.415 4.570 0.000 0.000 0.320 421 c C -0.642 173.148 174.090 -0.500 0.000 1.411 421 c CA -0.379 55.596 56.329 -0.590 0.000 1.429 421 c CB 1.397 43.015 42.510 -1.487 0.000 1.812 421 c HN 0.729 nan 8.230 nan 0.000 0.454 422 F N -0.385 119.308 119.950 -0.428 0.000 2.668 422 F HA 0.851 5.378 4.527 0.000 0.000 0.309 422 F C -1.247 174.650 175.800 0.161 0.000 1.117 422 F CA -1.272 56.498 58.000 -0.384 0.000 0.951 422 F CB 0.742 39.115 39.000 -1.045 0.000 1.323 422 F HN 0.851 nan 8.300 nan 0.000 0.451 423 W N 1.234 122.774 121.300 0.399 0.000 2.762 423 W HA 0.901 5.561 4.660 0.000 0.000 0.355 423 W C -2.132 174.578 176.519 0.318 0.000 1.124 423 W CA -1.613 55.928 57.345 0.327 0.000 1.141 423 W CB 0.950 30.579 29.460 0.282 0.000 1.432 423 W HN 0.542 nan 8.180 nan 0.000 0.586 424 V N 0.945 121.202 119.914 0.572 0.000 2.686 424 V HA 0.194 4.314 4.120 0.000 0.000 0.306 424 V C -0.432 175.965 176.094 0.505 0.000 1.065 424 V CA -0.850 61.630 62.300 0.300 0.000 0.894 424 V CB 1.725 33.520 31.823 -0.047 0.000 1.004 424 V HN 0.632 nan 8.190 nan 0.000 0.424 425 E N 4.348 124.884 120.200 0.560 0.000 2.227 425 E HA 0.508 4.858 4.350 0.000 0.000 0.282 425 E C -1.296 175.484 176.600 0.299 0.000 1.015 425 E CA -0.594 56.066 56.400 0.433 0.000 0.823 425 E CB 1.165 31.155 29.700 0.485 0.000 1.081 425 E HN 0.652 nan 8.360 nan 0.000 0.396 426 L N 6.918 128.282 121.223 0.236 0.000 2.321 426 L HA 0.389 4.729 4.340 0.000 0.000 0.272 426 L C -0.128 176.852 176.870 0.184 0.000 1.050 426 L CA -0.566 54.411 54.840 0.229 0.000 0.893 426 L CB 0.402 42.593 42.059 0.220 0.000 1.272 426 L HN 0.507 nan 8.230 nan 0.000 0.435 427 I N 3.757 124.426 120.570 0.164 0.000 2.452 427 I HA 0.205 4.375 4.170 0.000 0.000 0.287 427 I C 0.313 176.401 176.117 -0.048 0.000 1.079 427 I CA -0.103 61.233 61.300 0.058 0.000 1.387 427 I CB 0.262 38.273 38.000 0.018 0.000 1.404 427 I HN 0.503 nan 8.210 nan 0.000 0.522 428 R N 4.261 124.722 120.500 -0.065 0.000 2.832 428 R HA 0.796 5.136 4.340 0.000 0.000 0.271 428 R C 0.296 176.313 176.300 -0.472 0.000 0.996 428 R CA -0.387 55.586 56.100 -0.211 0.000 0.977 428 R CB 1.553 31.853 30.300 -0.000 0.000 1.168 428 R HN 0.891 nan 8.270 nan 0.000 0.482 429 G N 1.487 109.847 108.800 -0.733 0.000 2.466 429 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 429 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 429 G C -0.754 173.778 174.900 -0.615 0.000 1.237 429 G CA -0.599 43.932 45.100 -0.948 0.000 0.954 429 G HN 0.494 nan 8.290 nan 0.000 0.580 430 R N 1.646 121.849 120.500 -0.496 0.000 2.679 430 R HA 0.393 4.733 4.340 0.000 0.000 0.269 430 R C -0.875 175.263 176.300 -0.270 0.000 1.076 430 R CA -0.561 55.343 56.100 -0.328 0.000 1.160 430 R CB 0.657 30.817 30.300 -0.235 0.000 1.054 430 R HN 0.455 nan 8.270 nan 0.000 0.507 431 P HA -0.053 nan 4.420 nan 0.000 0.235 431 P C 0.105 177.277 177.300 -0.214 0.000 1.177 431 P CA 0.862 63.853 63.100 -0.182 0.000 0.785 431 P CB 0.445 32.074 31.700 -0.119 0.000 0.885 432 K N 0.538 120.743 120.400 -0.325 0.000 2.148 432 K HA 0.012 4.332 4.320 0.000 0.000 0.204 432 K C 1.135 177.574 176.600 -0.269 0.000 1.050 432 K CA 0.942 57.017 56.287 -0.353 0.000 0.942 432 K CB 0.001 32.005 32.500 -0.828 0.000 0.724 432 K HN 0.437 nan 8.250 nan 0.000 0.446 436 T N -0.553 113.837 114.554 -0.274 0.000 2.804 436 T HA 0.719 5.069 4.350 0.000 0.000 0.290 436 T C 1.039 175.591 174.700 -0.248 0.000 1.099 436 T CA -0.577 61.326 62.100 -0.327 0.000 1.011 436 T CB 0.864 69.225 68.868 -0.845 0.000 1.291 436 T HN 1.007 nan 8.240 nan 0.000 0.523 437 I N -2.384 118.123 120.570 -0.104 0.000 3.860 437 I HA 0.446 4.616 4.170 0.000 0.000 0.319 437 I C 0.243 176.396 176.117 0.060 0.000 1.279 437 I CA -0.765 60.545 61.300 0.018 0.000 1.220 437 I CB 0.029 38.108 38.000 0.131 0.000 1.027 437 I HN 0.614 nan 8.210 nan 0.000 0.428 438 W N 0.836 122.104 121.300 -0.053 0.000 3.017 438 W HA 0.738 5.398 4.660 0.000 0.000 0.341 438 W C -1.358 175.109 176.519 -0.086 0.000 1.180 438 W CA -1.056 56.255 57.345 -0.056 0.000 1.097 438 W CB 0.597 30.030 29.460 -0.044 0.000 1.468 438 W HN -0.329 nan 8.180 nan 0.000 0.584 439 T N 1.606 116.270 114.554 0.184 0.000 2.916 439 T HA 0.533 4.883 4.350 0.000 0.000 0.298 439 T C -1.164 173.721 174.700 0.307 0.000 1.031 439 T CA -0.308 61.823 62.100 0.052 0.000 0.993 439 T CB 2.066 70.915 68.868 -0.032 0.000 1.045 439 T HN 0.594 nan 8.240 nan 0.000 0.454 440 S N 0.584 116.453 115.700 0.283 0.000 2.636 440 S HA 0.834 5.304 4.470 0.000 0.000 0.266 440 S C -1.351 173.339 174.600 0.151 0.000 1.147 440 S CA -0.323 58.013 58.200 0.226 0.000 0.815 440 S CB 1.423 64.770 63.200 0.245 0.000 1.119 440 S HN 1.182 nan 8.310 nan 0.000 0.470 441 G N 0.632 109.484 108.800 0.087 0.000 2.690 441 G HA2 0.641 4.601 3.960 0.000 0.000 0.293 441 G HA3 0.641 4.601 3.960 0.000 0.000 0.293 441 G C -1.194 173.739 174.900 0.054 0.000 1.399 441 G CA -0.308 44.840 45.100 0.081 0.000 0.890 441 G HN 0.685 nan 8.290 nan 0.000 0.485 442 S N -1.119 114.633 115.700 0.087 0.000 2.747 442 S HA 0.874 5.345 4.470 0.000 0.000 0.300 442 S C 0.135 174.794 174.600 0.097 0.000 1.121 442 S CA -0.238 58.005 58.200 0.072 0.000 0.995 442 S CB 1.492 64.752 63.200 0.101 0.000 1.113 442 S HN 1.424 nan 8.310 nan 0.000 0.547 443 S N 0.508 116.256 115.700 0.080 0.000 2.564 443 S HA 0.816 5.286 4.470 0.000 0.000 0.274 443 S C -0.976 173.688 174.600 0.107 0.000 1.124 443 S CA -0.881 57.392 58.200 0.122 0.000 0.869 443 S CB 0.969 64.209 63.200 0.067 0.000 1.105 443 S HN 0.767 nan 8.310 nan 0.000 0.472 444 I N -0.756 119.909 120.570 0.158 0.000 2.894 444 I HA 0.892 5.062 4.170 0.000 0.000 0.302 444 I C -0.822 175.340 176.117 0.075 0.000 1.188 444 I CA -0.896 60.434 61.300 0.050 0.000 1.014 444 I CB 2.278 40.346 38.000 0.114 0.000 1.242 444 I HN 0.879 nan 8.210 nan 0.000 0.430 445 S N 2.601 118.184 115.700 -0.196 0.000 2.579 445 S HA 0.855 5.325 4.470 0.000 0.000 0.272 445 S C -1.256 172.999 174.600 -0.575 0.000 1.141 445 S CA -0.618 57.539 58.200 -0.071 0.000 0.843 445 S CB 1.899 65.288 63.200 0.315 0.000 1.122 445 S HN 0.588 nan 8.310 nan 0.000 0.468 446 F N -0.780 118.928 119.950 -0.403 0.000 2.650 446 F HA 0.815 5.343 4.527 0.000 0.000 0.320 446 F C -0.057 175.556 175.800 -0.311 0.000 1.091 446 F CA -0.929 56.857 58.000 -0.357 0.000 0.962 446 F CB 1.571 40.263 39.000 -0.513 0.000 1.363 446 F HN 0.840 nan 8.300 nan 0.000 0.482 447 c N 0.139 118.793 118.600 0.090 0.000 2.971 447 c HA 0.669 5.239 4.570 0.000 0.000 0.310 447 c C 1.482 175.574 174.090 0.002 0.000 1.285 447 c CA -0.259 56.055 56.329 -0.025 0.000 1.593 447 c CB 1.318 43.688 42.510 -0.232 0.000 2.076 447 c HN 1.085 nan 8.230 nan 0.000 0.472 448 G N 0.718 109.378 108.800 -0.234 0.000 3.029 448 G HA2 0.082 4.042 3.960 0.000 0.000 0.206 448 G HA3 0.082 4.042 3.960 0.000 0.000 0.206 448 G C 0.323 174.908 174.900 -0.525 0.000 1.295 448 G CA 1.787 46.539 45.100 -0.579 0.000 0.767 448 G HN 1.520 nan 8.290 nan 0.000 0.832 449 V N -0.543 119.161 119.914 -0.351 0.000 3.501 449 V HA -0.177 3.943 4.120 0.000 0.000 0.501 449 V C 0.688 176.610 176.094 -0.287 0.000 0.682 449 V CA 0.482 62.626 62.300 -0.259 0.000 2.051 449 V CB -0.423 31.294 31.823 -0.177 0.000 2.483 449 V HN 0.806 nan 8.190 nan 0.000 0.508 450 N N 0.497 119.078 118.700 -0.198 0.000 2.368 450 N HA 0.059 4.799 4.740 0.000 0.000 0.178 450 N C 0.705 176.142 175.510 -0.122 0.000 1.076 450 N CA 0.800 53.745 53.050 -0.175 0.000 0.889 450 N CB 0.522 38.925 38.487 -0.139 0.000 1.040 450 N HN 0.854 nan 8.380 nan 0.000 0.463 451 S N 0.698 116.341 115.700 -0.095 0.000 2.617 451 S HA 0.096 4.566 4.470 0.000 0.000 0.259 451 S C 0.110 174.683 174.600 -0.045 0.000 1.301 451 S CA -0.501 57.666 58.200 -0.056 0.000 0.984 451 S CB 1.038 64.216 63.200 -0.038 0.000 0.954 451 S HN 0.086 nan 8.310 nan 0.000 0.572 452 D N 0.233 120.625 120.400 -0.014 0.000 2.354 452 D HA 0.558 5.198 4.640 0.000 0.000 0.247 452 D C 0.504 176.828 176.300 0.041 0.000 1.138 452 D CA 0.107 54.113 54.000 0.010 0.000 0.958 452 D CB 0.865 41.679 40.800 0.023 0.000 1.144 452 D HN 0.723 nan 8.370 nan 0.000 0.458 453 T N -2.382 112.219 114.554 0.077 0.000 2.626 453 T HA 0.729 5.079 4.350 0.000 0.000 0.279 453 T C -0.455 174.347 174.700 0.170 0.000 0.983 453 T CA -0.578 61.606 62.100 0.141 0.000 1.059 453 T CB 0.707 69.677 68.868 0.170 0.000 1.396 453 T HN 0.496 nan 8.240 nan 0.000 0.519 454 V N -2.813 117.252 119.914 0.252 0.000 3.120 454 V HA 0.926 5.046 4.120 0.000 0.000 0.303 454 V C -0.068 176.243 176.094 0.362 0.000 1.238 454 V CA -0.631 61.813 62.300 0.241 0.000 1.008 454 V CB 1.334 33.251 31.823 0.156 0.000 1.064 454 V HN 1.448 nan 8.190 nan 0.000 0.434 455 G N 0.800 109.783 108.800 0.305 0.000 2.412 455 G HA2 0.677 4.637 3.960 0.000 0.000 0.318 455 G HA3 0.677 4.637 3.960 0.000 0.000 0.318 455 G C -1.425 173.683 174.900 0.347 0.000 1.146 455 G CA -0.315 45.000 45.100 0.358 0.000 0.882 455 G HN 1.222 nan 8.290 nan 0.000 0.501 456 W N -0.221 121.082 121.300 0.005 0.000 2.882 456 W HA 0.625 5.285 4.660 0.000 0.000 0.435 456 W C -1.052 175.286 176.519 -0.301 0.000 0.998 456 W CA -0.718 56.438 57.345 -0.316 0.000 1.293 456 W CB 1.035 30.030 29.460 -0.775 0.000 1.425 456 W HN 0.718 nan 8.180 nan 0.000 0.633 457 S N 1.475 116.688 115.700 -0.811 0.000 2.672 457 S HA 0.545 5.015 4.470 0.000 0.000 0.291 457 S C -1.713 172.461 174.600 -0.710 0.000 1.145 457 S CA -0.425 57.461 58.200 -0.524 0.000 1.013 457 S CB 0.327 63.263 63.200 -0.441 0.000 1.017 457 S HN 0.320 nan 8.310 nan 0.000 0.487 458 W N 6.760 128.062 121.300 0.003 0.000 2.165 458 W HA 0.300 4.960 4.660 0.000 0.000 0.288 458 W C -2.683 173.876 176.519 0.067 0.000 0.900 458 W CA -1.727 55.639 57.345 0.035 0.000 1.914 458 W CB 0.996 30.581 29.460 0.208 0.000 2.091 458 W HN 0.521 nan 8.180 nan 0.000 0.399 459 P HA 0.064 nan 4.420 nan 0.000 0.278 459 P C 0.706 178.101 177.300 0.158 0.000 1.266 459 P CA 0.062 63.250 63.100 0.148 0.000 0.807 459 P CB 1.903 33.638 31.700 0.058 0.000 1.094 460 D N 1.129 121.634 120.400 0.175 0.000 2.137 460 D HA -0.182 4.458 4.640 0.000 0.000 0.189 460 D C 1.456 177.843 176.300 0.145 0.000 0.998 460 D CA 3.350 57.450 54.000 0.168 0.000 0.839 460 D CB -0.730 40.185 40.800 0.192 0.000 0.962 460 D HN 0.704 nan 8.370 nan 0.000 0.446 461 G N -1.061 107.822 108.800 0.138 0.000 2.176 461 G HA2 -0.151 3.809 3.960 0.000 0.000 0.232 461 G HA3 -0.151 3.809 3.960 0.000 0.000 0.232 461 G C 0.388 175.378 174.900 0.150 0.000 0.986 461 G CA 0.548 45.719 45.100 0.120 0.000 0.643 461 G HN 0.811 nan 8.290 nan 0.000 0.522 462 A N 0.501 123.436 122.820 0.191 0.000 2.407 462 A HA 0.606 4.926 4.320 0.000 0.000 0.248 462 A C 0.515 178.250 177.584 0.251 0.000 1.082 462 A CA 0.635 52.830 52.037 0.264 0.000 0.785 462 A CB 0.192 19.378 19.000 0.309 0.000 1.020 462 A HN 1.142 nan 8.150 nan 0.000 0.489 463 E N 2.484 122.869 120.200 0.309 0.000 2.113 463 E HA 0.576 4.926 4.350 0.000 0.000 0.273 463 E C -1.137 175.652 176.600 0.315 0.000 0.924 463 E CA -0.534 56.014 56.400 0.246 0.000 0.764 463 E CB 0.772 30.583 29.700 0.186 0.000 1.104 463 E HN 0.515 nan 8.360 nan 0.000 0.406 464 L N 3.581 124.924 121.223 0.200 0.000 2.358 464 L HA 0.567 4.907 4.340 0.000 0.000 0.268 464 L C -1.470 175.486 176.870 0.142 0.000 1.032 464 L CA -2.234 52.701 54.840 0.158 0.000 0.805 464 L CB 0.661 42.715 42.059 -0.008 0.000 1.253 464 L HN 0.628 nan 8.230 nan 0.000 0.452 465 P HA 0.312 nan 4.420 nan 0.000 0.277 465 P C -1.017 176.530 177.300 0.411 0.000 1.271 465 P CA -0.346 62.863 63.100 0.183 0.000 0.795 465 P CB 0.814 32.589 31.700 0.125 0.000 1.101 466 F N -0.825 119.280 119.950 0.259 0.000 2.403 466 F HA 0.187 4.714 4.527 0.000 0.000 0.326 466 F C 2.115 177.986 175.800 0.118 0.000 1.099 466 F CA -1.095 57.012 58.000 0.178 0.000 1.036 466 F CB -0.640 38.456 39.000 0.159 0.000 1.336 466 F HN 0.209 nan 8.300 nan 0.000 0.497 467 T N 1.384 116.071 114.554 0.222 0.000 2.996 467 T HA 0.002 4.352 4.350 0.000 0.000 0.271 467 T C 0.738 175.522 174.700 0.140 0.000 1.126 467 T CA 0.897 63.062 62.100 0.109 0.000 1.103 467 T CB -0.705 68.170 68.868 0.012 0.000 0.870 467 T HN 0.361 nan 8.240 nan 0.000 0.528 468 I N 0.000 120.710 120.570 0.233 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.434 61.300 0.224 0.000 1.566 468 I CB 0.000 38.100 38.000 0.166 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494