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 1ybh_1_A DATA FIRST_RESID 86 DATA SEQUENCE TFISRFAPDQ PRKGADILVE ALERQGVETV FAYPGGASME IHQALTRSSS DATA SEQUENCE IRNVLPRHEQ GGVFAAEGYA RSSGKPGICI ATSGPGATNL VSGLADALLD DATA SEQUENCE SVPLVAITGQ VPRRMIGTDA FQETPIVEVT RSITKHNYLV MDVEDIPRII DATA SEQUENCE EEAFFLATSG RPGPVLVDVP KDIQQQLAIP NWEQAMRLPG YMSRMPKPPE DATA SEQUENCE DSHLEQIVRL ISESKKPVLY VGGGCLNSSD ELGRFVELTG IPVASTLMGL DATA SEQUENCE GSYPXDDELS LHMLGMHGTV YANYAVEHSD LLLAFGVRFD DRVTGKLEAF DATA SEQUENCE ASRAKIVHID IDSAEIGKNK TPHVSVCGDV KLALQGMNKV LENRAEELKL DATA SEQUENCE DFGVWRNELN VQKQKFPLSF KTFGEAIPPQ YAIKVLDELT DGKAIISTGV DATA SEQUENCE GQHQMWAAQF YNYKKPRQWL SSGGLGAMGF GLPAAIGASV ANPDAIVVDI DATA SEQUENCE DGDGSFIMNV QELATIRVEN LPVKVLLLNN QHLGMVMQWE DRFYKANRAH DATA SEQUENCE TFLGDPAQED EIFPNMLLFA AACGIPAARV TKKADLREAI QTMLDTPGPY DATA SEQUENCE LLDVICPHQE HVLPMIPSGG TFNDVITEGD GR 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.719 174.700 0.031 0.000 1.109 86 T CA 0.000 62.117 62.100 0.029 0.000 1.349 86 T CB 0.000 68.892 68.868 0.040 0.000 0.612 87 F N 3.028 122.932 119.950 -0.077 0.000 2.467 87 F HA 0.610 5.137 4.527 0.001 0.000 0.362 87 F C 0.385 176.128 175.800 -0.094 0.000 1.090 87 F CA -0.933 57.005 58.000 -0.104 0.000 1.202 87 F CB 0.352 39.252 39.000 -0.166 0.000 1.113 87 F HN 0.507 nan 8.300 nan 0.000 0.541 88 I N 5.112 125.163 120.570 -0.865 0.000 2.304 88 I HA 0.495 4.665 4.170 0.001 0.000 0.291 88 I C 0.228 175.813 176.117 -0.887 0.000 1.018 88 I CA -0.368 60.556 61.300 -0.625 0.000 1.260 88 I CB 0.615 38.380 38.000 -0.391 0.000 1.390 88 I HN 0.765 nan 8.210 nan 0.000 0.475 89 S N 3.632 119.120 115.700 -0.353 0.000 2.624 89 S HA 0.478 4.949 4.470 0.001 0.000 0.263 89 S C 1.156 175.687 174.600 -0.115 0.000 1.287 89 S CA -0.182 57.966 58.200 -0.087 0.000 0.990 89 S CB 0.584 63.898 63.200 0.190 0.000 0.950 89 S HN 0.759 nan 8.310 nan 0.000 0.561 90 R N 0.096 120.550 120.500 -0.076 0.000 2.397 90 R HA 0.258 4.598 4.340 0.001 0.000 0.241 90 R C -0.897 175.063 176.300 -0.567 0.000 0.914 90 R CA 0.106 56.000 56.100 -0.342 0.000 1.071 90 R CB 0.217 30.239 30.300 -0.462 0.000 1.116 90 R HN 0.463 nan 8.270 nan 0.000 0.524 91 F N 0.028 120.004 119.950 0.044 0.000 2.577 91 F HA 0.520 5.048 4.527 0.001 0.000 0.318 91 F C 0.312 176.149 175.800 0.060 0.000 1.065 91 F CA -1.469 56.566 58.000 0.058 0.000 0.929 91 F CB 1.063 40.116 39.000 0.089 0.000 1.237 91 F HN -0.170 nan 8.300 nan 0.000 0.468 92 A N 2.244 125.204 122.820 0.232 0.000 2.462 92 A HA 0.367 4.687 4.320 0.001 0.000 0.243 92 A C -1.903 175.780 177.584 0.165 0.000 1.076 92 A CA -1.119 51.006 52.037 0.147 0.000 0.773 92 A CB -0.120 18.942 19.000 0.104 0.000 1.010 92 A HN 0.631 nan 8.150 nan 0.000 0.493 93 P HA -0.115 nan 4.420 nan 0.000 0.229 93 P C 0.281 177.637 177.300 0.093 0.000 1.150 93 P CA 1.644 64.824 63.100 0.133 0.000 0.765 93 P CB 0.186 31.952 31.700 0.109 0.000 0.783 94 D N -2.972 117.476 120.400 0.079 0.000 2.500 94 D HA -0.000 4.640 4.640 0.001 0.000 0.217 94 D C 0.361 176.691 176.300 0.050 0.000 1.159 94 D CA -0.050 53.980 54.000 0.050 0.000 0.828 94 D CB -0.299 40.524 40.800 0.039 0.000 1.039 94 D HN 0.162 nan 8.370 nan 0.000 0.512 95 Q N 1.640 121.488 119.800 0.081 0.000 2.296 95 Q HA 0.338 4.678 4.340 0.001 0.000 0.257 95 Q C -2.616 173.409 176.000 0.042 0.000 0.942 95 Q CA -1.749 54.107 55.803 0.088 0.000 0.939 95 Q CB 1.544 30.381 28.738 0.164 0.000 1.198 95 Q HN -0.131 nan 8.270 nan 0.000 0.429 96 P HA 0.201 nan 4.420 nan 0.000 0.275 96 P C -1.563 175.683 177.300 -0.091 0.000 1.227 96 P CA -0.279 62.791 63.100 -0.050 0.000 0.781 96 P CB 0.866 32.546 31.700 -0.034 0.000 0.906 97 R N 0.457 120.843 120.500 -0.191 0.000 2.781 97 R HA 0.509 4.849 4.340 0.001 0.000 0.269 97 R C -0.811 175.361 176.300 -0.213 0.000 1.025 97 R CA -1.159 54.777 56.100 -0.273 0.000 0.914 97 R CB 0.242 30.086 30.300 -0.761 0.000 1.236 97 R HN 0.121 nan 8.270 nan 0.000 0.465 98 K N 0.147 120.451 120.400 -0.160 0.000 2.469 98 K HA 0.099 4.419 4.320 0.001 0.000 0.274 98 K C 1.276 177.810 176.600 -0.109 0.000 0.983 98 K CA 0.741 56.968 56.287 -0.098 0.000 0.974 98 K CB 0.403 32.876 32.500 -0.046 0.000 0.913 98 K HN 0.830 nan 8.250 nan 0.000 0.493 99 G N 1.569 110.323 108.800 -0.077 0.000 2.432 99 G HA2 -0.288 3.672 3.960 0.001 0.000 0.219 99 G HA3 -0.288 3.672 3.960 0.001 0.000 0.219 99 G C 1.472 176.346 174.900 -0.043 0.000 1.135 99 G CA 0.999 46.057 45.100 -0.070 0.000 0.767 99 G HN 0.682 nan 8.290 nan 0.000 0.550 100 A N 1.144 123.948 122.820 -0.028 0.000 1.883 100 A HA -0.101 4.219 4.320 0.001 0.000 0.217 100 A C 2.083 179.672 177.584 0.009 0.000 1.186 100 A CA 1.987 54.020 52.037 -0.005 0.000 0.624 100 A CB -0.435 18.569 19.000 0.006 0.000 0.822 100 A HN 0.322 nan 8.150 nan 0.000 0.444 101 D N -0.303 120.092 120.400 -0.008 0.000 2.178 101 D HA -0.072 4.569 4.640 0.001 0.000 0.202 101 D C 1.871 178.192 176.300 0.035 0.000 0.974 101 D CA 1.100 55.111 54.000 0.019 0.000 0.841 101 D CB -0.153 40.589 40.800 -0.097 0.000 0.953 101 D HN 0.536 nan 8.370 nan 0.000 0.478 102 I N 0.807 121.372 120.570 -0.008 0.000 2.353 102 I HA -0.189 3.982 4.170 0.001 0.000 0.248 102 I C 2.541 178.766 176.117 0.180 0.000 1.119 102 I CA 0.387 61.742 61.300 0.092 0.000 1.417 102 I CB -0.045 37.918 38.000 -0.062 0.000 1.078 102 I HN -0.024 nan 8.210 nan 0.000 0.421 103 L N 0.290 121.561 121.223 0.079 0.000 2.027 103 L HA -0.170 4.170 4.340 0.001 0.000 0.206 103 L C 2.529 179.445 176.870 0.076 0.000 1.074 103 L CA 1.268 56.152 54.840 0.073 0.000 0.745 103 L CB -0.068 42.008 42.059 0.029 0.000 0.898 103 L HN -0.047 nan 8.230 nan 0.000 0.433 104 V N 0.054 120.008 119.914 0.066 0.000 2.343 104 V HA -0.320 3.800 4.120 0.001 0.000 0.247 104 V C 2.455 178.581 176.094 0.053 0.000 1.051 104 V CA 2.212 64.544 62.300 0.053 0.000 1.036 104 V CB -0.608 31.253 31.823 0.064 0.000 0.654 104 V HN 0.573 nan 8.190 nan 0.000 0.451 105 E N 0.180 120.444 120.200 0.106 0.000 2.150 105 E HA -0.193 4.157 4.350 0.001 0.000 0.193 105 E C 2.214 178.668 176.600 -0.244 0.000 0.985 105 E CA 1.125 57.540 56.400 0.024 0.000 0.814 105 E CB -0.209 29.582 29.700 0.151 0.000 0.752 105 E HN 0.575 nan 8.360 nan 0.000 0.466 106 A N 0.915 123.721 122.820 -0.023 0.000 1.978 106 A HA -0.156 4.164 4.320 0.001 0.000 0.220 106 A C 2.123 179.563 177.584 -0.239 0.000 1.170 106 A CA 1.082 53.091 52.037 -0.047 0.000 0.636 106 A CB -0.498 18.623 19.000 0.203 0.000 0.810 106 A HN 0.304 nan 8.150 nan 0.000 0.448 107 L N -1.024 120.101 121.223 -0.164 0.000 2.044 107 L HA -0.148 4.192 4.340 0.001 0.000 0.205 107 L C 2.569 179.286 176.870 -0.255 0.000 1.075 107 L CA 1.426 56.143 54.840 -0.205 0.000 0.747 107 L CB -0.712 41.322 42.059 -0.040 0.000 0.903 107 L HN 0.448 nan 8.230 nan 0.000 0.435 108 E N 0.359 120.441 120.200 -0.196 0.000 2.085 108 E HA -0.239 4.112 4.350 0.001 0.000 0.194 108 E C 2.256 178.616 176.600 -0.399 0.000 0.994 108 E CA 1.140 57.457 56.400 -0.140 0.000 0.801 108 E CB -0.129 29.632 29.700 0.102 0.000 0.743 108 E HN 0.389 nan 8.360 nan 0.000 0.453 109 R N 0.395 120.406 120.500 -0.816 0.000 2.237 109 R HA -0.067 4.273 4.340 0.001 0.000 0.219 109 R C 1.921 177.902 176.300 -0.531 0.000 1.080 109 R CA 0.673 56.190 56.100 -0.972 0.000 0.995 109 R CB 0.100 29.717 30.300 -1.138 0.000 0.875 109 R HN 0.115 nan 8.270 nan 0.000 0.462 110 Q N -0.814 118.697 119.800 -0.483 0.000 2.403 110 Q HA 0.093 4.433 4.340 0.001 0.000 0.203 110 Q C 0.963 176.796 176.000 -0.278 0.000 0.932 110 Q CA 0.793 56.312 55.803 -0.473 0.000 0.945 110 Q CB 1.301 29.456 28.738 -0.972 0.000 1.045 110 Q HN 0.543 nan 8.270 nan 0.000 0.511 111 G N 0.315 108.998 108.800 -0.196 0.000 2.157 111 G HA2 -0.244 3.717 3.960 0.001 0.000 0.248 111 G HA3 -0.244 3.717 3.960 0.001 0.000 0.248 111 G C 0.220 175.116 174.900 -0.008 0.000 0.979 111 G CA 0.212 45.274 45.100 -0.063 0.000 0.650 111 G HN 0.210 nan 8.290 nan 0.000 0.529 112 V N 0.540 120.429 119.914 -0.040 0.000 2.585 112 V HA 0.290 4.410 4.120 0.001 0.000 0.296 112 V C 1.234 177.347 176.094 0.032 0.000 1.035 112 V CA 1.368 63.688 62.300 0.033 0.000 1.084 112 V CB 1.270 33.110 31.823 0.029 0.000 0.953 112 V HN 0.536 nan 8.190 nan 0.000 0.483 113 E N 1.608 121.844 120.200 0.060 0.000 2.508 113 E HA 0.161 4.511 4.350 0.001 0.000 0.217 113 E C -0.123 176.472 176.600 -0.008 0.000 0.896 113 E CA 0.150 56.577 56.400 0.045 0.000 1.118 113 E CB 1.093 30.847 29.700 0.089 0.000 1.133 113 E HN 0.746 nan 8.360 nan 0.000 0.526 114 T N 1.369 115.880 114.554 -0.071 0.000 2.916 114 T HA 0.482 4.832 4.350 0.001 0.000 0.298 114 T C -0.629 173.820 174.700 -0.419 0.000 1.031 114 T CA -0.788 61.150 62.100 -0.271 0.000 0.993 114 T CB 2.238 70.923 68.868 -0.304 0.000 1.045 114 T HN 0.018 nan 8.240 nan 0.000 0.454 115 V N -0.638 118.983 119.914 -0.489 0.000 3.040 115 V HA 0.888 5.008 4.120 0.001 0.000 0.312 115 V C -1.760 173.951 176.094 -0.638 0.000 1.115 115 V CA -1.338 60.731 62.300 -0.384 0.000 0.998 115 V CB 1.931 33.651 31.823 -0.171 0.000 1.042 115 V HN 0.760 nan 8.190 nan 0.000 0.433 116 F N 1.944 121.851 119.950 -0.072 0.000 2.430 116 F HA 0.885 5.412 4.527 0.001 0.000 0.362 116 F C 0.454 176.269 175.800 0.025 0.000 1.103 116 F CA -0.199 57.790 58.000 -0.017 0.000 1.045 116 F CB 1.631 40.616 39.000 -0.025 0.000 1.276 116 F HN 0.935 nan 8.300 nan 0.000 0.444 117 A N 3.067 125.980 122.820 0.156 0.000 2.374 117 A HA 0.656 4.977 4.320 0.001 0.000 0.305 117 A C -2.175 175.606 177.584 0.328 0.000 1.053 117 A CA -0.656 51.511 52.037 0.217 0.000 0.726 117 A CB 0.862 19.907 19.000 0.076 0.000 1.229 117 A HN 0.626 nan 8.150 nan 0.000 0.431 118 Y N 4.949 125.350 120.300 0.168 0.000 2.356 118 Y HA 0.491 5.042 4.550 0.001 0.000 0.334 118 Y C -2.184 173.694 175.900 -0.037 0.000 0.958 118 Y CA -2.122 55.999 58.100 0.036 0.000 1.196 118 Y CB 1.735 40.187 38.460 -0.014 0.000 1.137 118 Y HN 0.537 nan 8.280 nan 0.000 0.485 119 P HA 0.286 nan 4.420 nan 0.000 0.269 119 P C -0.401 176.764 177.300 -0.225 0.000 1.209 119 P CA 0.234 62.902 63.100 -0.720 0.000 0.776 119 P CB 1.548 32.646 31.700 -1.003 0.000 0.876 120 G N 0.319 109.063 108.800 -0.093 0.000 2.684 120 G HA2 0.461 4.421 3.960 0.001 0.000 0.290 120 G HA3 0.461 4.421 3.960 0.001 0.000 0.290 120 G C 0.828 175.728 174.900 -0.001 0.000 1.425 120 G CA -0.182 44.909 45.100 -0.016 0.000 0.822 120 G HN 0.439 nan 8.290 nan 0.000 0.482 121 G N 0.133 108.941 108.800 0.013 0.000 2.469 121 G HA2 0.054 4.014 3.960 0.001 0.000 0.219 121 G HA3 0.054 4.014 3.960 0.001 0.000 0.219 121 G C 1.840 176.764 174.900 0.040 0.000 1.150 121 G CA 1.996 47.120 45.100 0.041 0.000 0.763 121 G HN 1.393 nan 8.290 nan 0.000 0.561 122 A N 0.348 123.181 122.820 0.022 0.000 2.206 122 A HA 0.277 4.597 4.320 0.001 0.000 0.211 122 A C 2.275 179.883 177.584 0.039 0.000 1.158 122 A CA 1.872 53.922 52.037 0.022 0.000 0.761 122 A CB -0.154 18.842 19.000 -0.007 0.000 0.801 122 A HN 0.795 nan 8.150 nan 0.000 0.473 123 S N -2.126 113.615 115.700 0.067 0.000 2.629 123 S HA 0.228 4.699 4.470 0.001 0.000 0.236 123 S C 1.464 176.171 174.600 0.178 0.000 1.010 123 S CA 0.153 58.422 58.200 0.115 0.000 0.981 123 S CB -0.457 62.840 63.200 0.161 0.000 0.919 123 S HN 0.370 nan 8.310 nan 0.000 0.514 124 M N 1.616 121.284 119.600 0.113 0.000 2.106 124 M HA -0.124 4.357 4.480 0.001 0.000 0.259 124 M C 2.139 178.504 176.300 0.107 0.000 1.068 124 M CA 1.691 57.052 55.300 0.101 0.000 1.100 124 M CB -0.404 32.223 32.600 0.045 0.000 1.351 124 M HN 0.333 nan 8.290 nan 0.000 0.404 125 E N 0.476 120.719 120.200 0.071 0.000 2.085 125 E HA -0.174 4.176 4.350 0.001 0.000 0.194 125 E C 1.927 178.556 176.600 0.047 0.000 0.994 125 E CA 1.387 57.818 56.400 0.051 0.000 0.801 125 E CB -0.425 29.294 29.700 0.032 0.000 0.743 125 E HN 0.599 nan 8.360 nan 0.000 0.453 126 I N 0.736 121.327 120.570 0.035 0.000 2.226 126 I HA -0.271 3.900 4.170 0.001 0.000 0.245 126 I C 2.495 178.567 176.117 -0.075 0.000 1.100 126 I CA 1.084 62.368 61.300 -0.027 0.000 1.374 126 I CB -0.402 37.559 38.000 -0.065 0.000 1.057 126 I HN 0.165 nan 8.210 nan 0.000 0.413 127 H N 0.542 119.613 119.070 0.002 0.000 2.357 127 H HA -0.120 4.437 4.556 0.001 0.000 0.301 127 H C 2.305 177.632 175.328 -0.002 0.000 1.082 127 H CA 1.146 57.189 56.048 -0.008 0.000 1.342 127 H CB 0.021 29.768 29.762 -0.025 0.000 1.389 127 H HN 0.389 nan 8.280 nan 0.000 0.511 128 Q N 0.439 120.306 119.800 0.112 0.000 2.050 128 Q HA -0.072 4.268 4.340 0.001 0.000 0.202 128 Q C 2.525 178.560 176.000 0.058 0.000 0.980 128 Q CA 1.173 57.019 55.803 0.072 0.000 0.840 128 Q CB -0.482 28.293 28.738 0.061 0.000 0.898 128 Q HN 0.417 nan 8.270 nan 0.000 0.424 129 A N 0.538 123.391 122.820 0.054 0.000 1.972 129 A HA -0.142 4.178 4.320 0.001 0.000 0.219 129 A C 2.079 179.693 177.584 0.049 0.000 1.169 129 A CA 0.924 53.002 52.037 0.067 0.000 0.635 129 A CB -0.415 18.622 19.000 0.062 0.000 0.810 129 A HN 0.251 nan 8.150 nan 0.000 0.446 130 L N 0.426 121.655 121.223 0.010 0.000 2.093 130 L HA -0.117 4.223 4.340 0.001 0.000 0.208 130 L C 2.897 179.771 176.870 0.007 0.000 1.085 130 L CA 2.568 57.400 54.840 -0.013 0.000 0.755 130 L CB -1.165 40.851 42.059 -0.073 0.000 0.904 130 L HN 0.643 nan 8.230 nan 0.000 0.435 131 T N -3.975 110.591 114.554 0.021 0.000 3.007 131 T HA -0.153 4.197 4.350 0.001 0.000 0.270 131 T C 1.923 176.632 174.700 0.014 0.000 1.107 131 T CA 0.765 62.875 62.100 0.017 0.000 1.118 131 T CB -0.289 68.593 68.868 0.022 0.000 0.889 131 T HN 0.295 nan 8.240 nan 0.000 0.506 132 R N 0.977 121.494 120.500 0.027 0.000 2.276 132 R HA 0.268 4.608 4.340 0.001 0.000 0.196 132 R C 1.200 177.505 176.300 0.009 0.000 0.961 132 R CA 0.091 56.203 56.100 0.020 0.000 1.024 132 R CB 0.112 30.443 30.300 0.052 0.000 0.940 132 R HN 0.339 nan 8.270 nan 0.000 0.480 133 S N 0.142 115.854 115.700 0.020 0.000 2.565 133 S HA 0.079 4.549 4.470 0.001 0.000 0.276 133 S C 1.059 175.656 174.600 -0.006 0.000 1.326 133 S CA -0.549 57.661 58.200 0.016 0.000 1.045 133 S CB 1.206 64.421 63.200 0.025 0.000 0.918 133 S HN 0.284 nan 8.310 nan 0.000 0.505 134 S N 2.135 117.826 115.700 -0.016 0.000 2.540 134 S HA 0.074 4.545 4.470 0.001 0.000 0.222 134 S C 1.364 175.954 174.600 -0.017 0.000 1.008 134 S CA 0.321 58.507 58.200 -0.023 0.000 0.939 134 S CB -0.061 63.115 63.200 -0.039 0.000 0.865 134 S HN 0.780 nan 8.310 nan 0.000 0.499 135 S N 0.916 116.612 115.700 -0.005 0.000 2.502 135 S HA 0.426 4.896 4.470 0.001 0.000 0.215 135 S C 0.368 174.972 174.600 0.006 0.000 1.009 135 S CA -0.463 57.740 58.200 0.005 0.000 0.908 135 S CB -0.440 62.775 63.200 0.024 0.000 0.801 135 S HN 0.471 nan 8.310 nan 0.000 0.505 136 I N 3.077 123.645 120.570 -0.003 0.000 2.354 136 I HA 0.446 4.616 4.170 0.001 0.000 0.292 136 I C -0.069 176.022 176.117 -0.044 0.000 0.989 136 I CA -0.853 60.433 61.300 -0.023 0.000 1.188 136 I CB 1.576 39.559 38.000 -0.027 0.000 1.342 136 I HN 0.215 nan 8.210 nan 0.000 0.457 137 R N 6.375 126.835 120.500 -0.066 0.000 2.474 137 R HA 0.401 4.742 4.340 0.001 0.000 0.295 137 R C -0.912 175.297 176.300 -0.152 0.000 0.980 137 R CA -0.579 55.471 56.100 -0.083 0.000 0.934 137 R CB 1.213 31.476 30.300 -0.062 0.000 1.101 137 R HN 0.683 nan 8.270 nan 0.000 0.469 138 N N 2.735 121.357 118.700 -0.131 0.000 2.372 138 N HA 0.269 5.010 4.740 0.001 0.000 0.291 138 N C -1.376 174.040 175.510 -0.157 0.000 1.024 138 N CA -0.689 52.259 53.050 -0.169 0.000 0.873 138 N CB 1.732 40.172 38.487 -0.079 0.000 1.206 138 N HN 0.365 nan 8.380 nan 0.000 0.486 139 V N 4.533 124.293 119.914 -0.257 0.000 2.311 139 V HA 0.199 4.319 4.120 0.001 0.000 0.275 139 V C 0.128 176.249 176.094 0.046 0.000 1.022 139 V CA -0.756 61.482 62.300 -0.104 0.000 0.830 139 V CB 0.772 32.522 31.823 -0.123 0.000 1.012 139 V HN 0.549 nan 8.190 nan 0.000 0.452 140 L N 10.312 131.572 121.223 0.063 0.000 2.407 140 L HA 0.488 4.828 4.340 0.001 0.000 0.282 140 L C -1.769 175.204 176.870 0.172 0.000 1.110 140 L CA -0.825 54.076 54.840 0.101 0.000 0.863 140 L CB 0.476 42.542 42.059 0.013 0.000 1.207 140 L HN 0.386 nan 8.230 nan 0.000 0.454 141 P HA 0.244 nan 4.420 nan 0.000 0.289 141 P C -0.379 177.090 177.300 0.281 0.000 1.299 141 P CA -0.351 62.886 63.100 0.227 0.000 0.766 141 P CB 0.957 32.774 31.700 0.195 0.000 1.226 142 R N -2.381 118.217 120.500 0.164 0.000 2.397 142 R HA 0.253 4.593 4.340 0.001 0.000 0.241 142 R C 0.085 176.363 176.300 -0.036 0.000 0.914 142 R CA 0.192 56.381 56.100 0.149 0.000 1.071 142 R CB -0.806 29.545 30.300 0.084 0.000 1.116 142 R HN 0.634 nan 8.270 nan 0.000 0.524 143 H N -0.852 118.087 119.070 -0.219 0.000 3.086 143 H HA 0.137 4.694 4.556 0.001 0.000 0.353 143 H C 0.289 175.438 175.328 -0.298 0.000 1.134 143 H CA -0.440 55.397 56.048 -0.351 0.000 1.248 143 H CB 1.402 31.020 29.762 -0.240 0.000 1.878 143 H HN -0.076 nan 8.280 nan 0.000 0.527 144 E N 2.883 122.844 120.200 -0.399 0.000 2.171 144 E HA -0.307 4.043 4.350 0.001 0.000 0.197 144 E C 1.490 178.043 176.600 -0.079 0.000 0.997 144 E CA 1.410 57.696 56.400 -0.191 0.000 0.810 144 E CB 0.036 29.585 29.700 -0.253 0.000 0.738 144 E HN 0.745 nan 8.360 nan 0.000 0.467 145 Q N 0.882 120.733 119.800 0.084 0.000 2.167 145 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 145 Q C 2.187 177.969 176.000 -0.364 0.000 0.970 145 Q CA 1.474 57.110 55.803 -0.279 0.000 0.855 145 Q CB -0.246 28.274 28.738 -0.363 0.000 0.911 145 Q HN 0.306 nan 8.270 nan 0.000 0.438 146 G N -0.171 108.553 108.800 -0.127 0.000 2.408 146 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 146 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 146 G C 1.256 176.107 174.900 -0.082 0.000 1.150 146 G CA 0.563 45.620 45.100 -0.072 0.000 0.776 146 G HN 0.512 nan 8.290 nan 0.000 0.542 147 G N 0.985 109.756 108.800 -0.049 0.000 2.480 147 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 147 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 147 G C 1.916 176.745 174.900 -0.118 0.000 1.200 147 G CA 2.310 47.406 45.100 -0.007 0.000 0.782 147 G HN 0.512 nan 8.290 nan 0.000 0.554 148 V N -0.612 119.220 119.914 -0.136 0.000 2.255 148 V HA -0.145 3.975 4.120 0.001 0.000 0.247 148 V C 2.545 178.624 176.094 -0.026 0.000 1.051 148 V CA 1.910 64.142 62.300 -0.113 0.000 1.018 148 V CB -1.274 30.448 31.823 -0.167 0.000 0.641 148 V HN 0.376 nan 8.190 nan 0.000 0.445 149 F N 1.162 121.032 119.950 -0.134 0.000 2.161 149 F HA -0.155 4.372 4.527 0.001 0.000 0.300 149 F C 2.752 178.325 175.800 -0.377 0.000 1.089 149 F CA 0.952 58.835 58.000 -0.194 0.000 1.282 149 F CB -0.391 38.481 39.000 -0.213 0.000 1.010 149 F HN 0.224 nan 8.300 nan 0.000 0.485 150 A N 0.273 122.928 122.820 -0.276 0.000 1.902 150 A HA -0.121 4.199 4.320 0.001 0.000 0.217 150 A C 2.347 179.459 177.584 -0.787 0.000 1.181 150 A CA 1.566 53.236 52.037 -0.611 0.000 0.623 150 A CB -1.109 17.358 19.000 -0.888 0.000 0.818 150 A HN 0.323 nan 8.150 nan 0.000 0.443 151 A N -0.345 122.028 122.820 -0.746 0.000 1.940 151 A HA -0.191 4.130 4.320 0.001 0.000 0.219 151 A C 1.960 179.517 177.584 -0.046 0.000 1.176 151 A CA 1.681 53.508 52.037 -0.351 0.000 0.631 151 A CB -0.500 18.435 19.000 -0.107 0.000 0.814 151 A HN 0.636 nan 8.150 nan 0.000 0.446 152 E N -0.825 119.366 120.200 -0.015 0.000 2.051 152 E HA -0.130 4.220 4.350 0.001 0.000 0.192 152 E C 2.242 178.881 176.600 0.065 0.000 0.991 152 E CA 0.850 57.308 56.400 0.096 0.000 0.799 152 E CB -0.405 29.446 29.700 0.252 0.000 0.748 152 E HN 0.608 nan 8.360 nan 0.000 0.449 153 G N 0.553 109.312 108.800 -0.068 0.000 2.440 153 G HA2 -0.320 3.640 3.960 0.001 0.000 0.218 153 G HA3 -0.320 3.640 3.960 0.001 0.000 0.218 153 G C 1.410 176.324 174.900 0.024 0.000 1.154 153 G CA 1.039 46.081 45.100 -0.097 0.000 0.767 153 G HN 0.292 nan 8.290 nan 0.000 0.552 154 Y N 1.867 122.125 120.300 -0.070 0.000 2.097 154 Y HA -0.089 4.461 4.550 0.001 0.000 0.282 154 Y C 3.015 178.948 175.900 0.054 0.000 1.152 154 Y CA 2.032 60.158 58.100 0.043 0.000 1.136 154 Y CB -0.378 38.171 38.460 0.148 0.000 0.975 154 Y HN 0.263 nan 8.280 nan 0.000 0.498 155 A N 0.575 123.573 122.820 0.296 0.000 1.858 155 A HA -0.224 4.096 4.320 0.001 0.000 0.216 155 A C 2.236 179.865 177.584 0.075 0.000 1.190 155 A CA 2.035 54.184 52.037 0.187 0.000 0.617 155 A CB -0.759 18.339 19.000 0.163 0.000 0.827 155 A HN 0.558 nan 8.150 nan 0.000 0.443 156 R N 0.162 120.700 120.500 0.063 0.000 2.127 156 R HA -0.115 4.225 4.340 0.001 0.000 0.238 156 R C 2.310 178.616 176.300 0.010 0.000 1.134 156 R CA 1.666 57.786 56.100 0.033 0.000 0.975 156 R CB -0.334 29.988 30.300 0.038 0.000 0.865 156 R HN 0.708 nan 8.270 nan 0.000 0.447 157 S N -0.893 114.800 115.700 -0.011 0.000 2.548 157 S HA 0.022 4.492 4.470 0.001 0.000 0.215 157 S C 1.611 176.181 174.600 -0.051 0.000 0.976 157 S CA 0.521 58.706 58.200 -0.026 0.000 0.908 157 S CB 0.494 63.672 63.200 -0.038 0.000 0.781 157 S HN 0.286 nan 8.310 nan 0.000 0.519 158 S N -0.564 115.091 115.700 -0.075 0.000 2.619 158 S HA 0.540 5.010 4.470 0.001 0.000 0.238 158 S C 1.588 176.173 174.600 -0.025 0.000 1.068 158 S CA 0.562 58.707 58.200 -0.091 0.000 0.926 158 S CB -0.116 62.944 63.200 -0.233 0.000 0.864 158 S HN 1.438 nan 8.310 nan 0.000 0.493 159 G N 1.520 110.324 108.800 0.007 0.000 2.175 159 G HA2 -0.210 3.750 3.960 0.001 0.000 0.244 159 G HA3 -0.210 3.750 3.960 0.001 0.000 0.244 159 G C -0.106 174.829 174.900 0.058 0.000 0.982 159 G CA 0.286 45.405 45.100 0.033 0.000 0.641 159 G HN 0.616 nan 8.290 nan 0.000 0.527 160 K N 1.049 121.496 120.400 0.078 0.000 2.139 160 K HA 0.558 4.878 4.320 0.001 0.000 0.243 160 K C -2.426 174.296 176.600 0.202 0.000 0.983 160 K CA -1.896 54.481 56.287 0.150 0.000 0.890 160 K CB 1.953 34.570 32.500 0.195 0.000 1.090 160 K HN 0.059 nan 8.250 nan 0.000 0.445 161 P HA 0.065 nan 4.420 nan 0.000 0.278 161 P C -0.522 176.911 177.300 0.222 0.000 1.238 161 P CA -0.335 62.859 63.100 0.157 0.000 0.794 161 P CB 0.857 32.602 31.700 0.076 0.000 0.955 162 G N 1.907 110.798 108.800 0.153 0.000 2.348 162 G HA2 0.540 4.500 3.960 0.001 0.000 0.312 162 G HA3 0.540 4.500 3.960 0.001 0.000 0.312 162 G C -0.925 173.996 174.900 0.035 0.000 1.126 162 G CA -0.398 44.782 45.100 0.134 0.000 0.865 162 G HN 0.309 nan 8.290 nan 0.000 0.474 163 I N 1.562 122.151 120.570 0.032 0.000 2.389 163 I HA 0.364 4.535 4.170 0.001 0.000 0.288 163 I C 0.322 176.507 176.117 0.113 0.000 0.999 163 I CA -0.818 60.505 61.300 0.038 0.000 1.129 163 I CB 1.580 39.608 38.000 0.047 0.000 1.288 163 I HN 0.678 nan 8.210 nan 0.000 0.444 164 C N 5.595 124.941 119.300 0.076 0.000 2.634 164 C HA 0.890 5.350 4.460 0.001 0.000 0.313 164 C C -0.374 174.647 174.990 0.052 0.000 1.198 164 C CA -1.073 58.009 59.018 0.106 0.000 1.605 164 C CB 0.731 28.517 27.740 0.078 0.000 2.196 164 C HN 0.658 nan 8.230 nan 0.000 0.486 165 I N 2.038 122.646 120.570 0.063 0.000 2.582 165 I HA 0.748 4.918 4.170 0.001 0.000 0.292 165 I C 0.222 176.392 176.117 0.089 0.000 1.066 165 I CA -0.384 60.940 61.300 0.040 0.000 1.053 165 I CB 1.962 39.948 38.000 -0.023 0.000 1.241 165 I HN 1.083 nan 8.210 nan 0.000 0.421 166 A N 3.413 126.274 122.820 0.070 0.000 2.566 166 A HA 0.775 5.096 4.320 0.001 0.000 0.292 166 A C -0.468 177.158 177.584 0.069 0.000 1.112 166 A CA -0.522 51.565 52.037 0.083 0.000 0.707 166 A CB 1.980 20.992 19.000 0.021 0.000 1.302 166 A HN 0.585 nan 8.150 nan 0.000 0.409 167 T N -0.062 114.532 114.554 0.067 0.000 2.771 167 T HA 0.510 4.860 4.350 0.001 0.000 0.290 167 T C 1.100 175.790 174.700 -0.016 0.000 1.005 167 T CA 0.433 62.553 62.100 0.034 0.000 0.944 167 T CB 0.136 69.020 68.868 0.026 0.000 1.147 167 T HN 1.602 nan 8.240 nan 0.000 0.534 168 S N -0.132 115.543 115.700 -0.042 0.000 2.626 168 S HA 0.538 5.008 4.470 0.001 0.000 0.257 168 S C 1.412 175.949 174.600 -0.104 0.000 1.288 168 S CA -0.041 58.118 58.200 -0.069 0.000 0.980 168 S CB -0.250 62.904 63.200 -0.077 0.000 0.975 168 S HN 1.581 nan 8.310 nan 0.000 0.577 169 G N 1.647 110.382 108.800 -0.107 0.000 2.692 169 G HA2 -0.316 3.644 3.960 0.001 0.000 0.339 169 G HA3 -0.316 3.644 3.960 0.001 0.000 0.339 169 G C -0.852 173.981 174.900 -0.111 0.000 1.226 169 G CA 0.596 45.624 45.100 -0.121 0.000 0.979 169 G HN 0.763 nan 8.290 nan 0.000 0.549 170 P HA -0.067 nan 4.420 nan 0.000 0.219 170 P C 1.928 179.148 177.300 -0.134 0.000 1.146 170 P CA 2.699 65.726 63.100 -0.123 0.000 0.808 170 P CB -0.717 30.905 31.700 -0.129 0.000 0.779 171 G N 0.786 109.513 108.800 -0.121 0.000 2.433 171 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 171 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 171 G C 1.883 176.725 174.900 -0.096 0.000 1.186 171 G CA 1.253 46.287 45.100 -0.111 0.000 0.779 171 G HN 0.356 nan 8.290 nan 0.000 0.543 172 A N 0.845 123.620 122.820 -0.074 0.000 1.883 172 A HA -0.090 4.231 4.320 0.001 0.000 0.217 172 A C 2.671 180.213 177.584 -0.070 0.000 1.186 172 A CA 3.117 55.116 52.037 -0.063 0.000 0.624 172 A CB -1.356 17.612 19.000 -0.054 0.000 0.822 172 A HN 0.618 nan 8.150 nan 0.000 0.444 173 T N -1.977 112.532 114.554 -0.074 0.000 2.881 173 T HA -0.165 4.185 4.350 0.001 0.000 0.270 173 T C 1.393 176.050 174.700 -0.072 0.000 1.068 173 T CA 1.663 63.722 62.100 -0.067 0.000 1.131 173 T CB -0.871 67.959 68.868 -0.063 0.000 0.871 173 T HN 0.615 nan 8.240 nan 0.000 0.479 174 N N 0.486 119.132 118.700 -0.090 0.000 2.550 174 N HA 0.164 4.905 4.740 0.001 0.000 0.186 174 N C 1.415 176.863 175.510 -0.102 0.000 1.110 174 N CA 0.233 53.233 53.050 -0.083 0.000 0.912 174 N CB -0.198 38.197 38.487 -0.155 0.000 0.968 174 N HN 0.423 nan 8.380 nan 0.000 0.448 175 L N -0.419 120.742 121.223 -0.102 0.000 2.354 175 L HA 0.014 4.354 4.340 0.001 0.000 0.212 175 L C 2.015 178.821 176.870 -0.107 0.000 1.091 175 L CA 0.083 54.854 54.840 -0.114 0.000 0.828 175 L CB -0.166 41.845 42.059 -0.080 0.000 0.973 175 L HN -0.019 nan 8.230 nan 0.000 0.461 176 V N 0.146 120.012 119.914 -0.080 0.000 2.242 176 V HA -0.437 3.684 4.120 0.001 0.000 0.257 176 V C 2.609 178.674 176.094 -0.048 0.000 1.073 176 V CA 2.509 64.774 62.300 -0.057 0.000 1.058 176 V CB -0.799 30.995 31.823 -0.048 0.000 0.664 176 V HN 0.447 nan 8.190 nan 0.000 0.451 177 S N 0.059 115.722 115.700 -0.061 0.000 2.383 177 S HA -0.157 4.314 4.470 0.001 0.000 0.229 177 S C 1.983 176.616 174.600 0.054 0.000 1.030 177 S CA 1.368 59.564 58.200 -0.006 0.000 1.002 177 S CB -0.731 62.469 63.200 0.001 0.000 0.829 177 S HN 0.764 nan 8.310 nan 0.000 0.467 178 G N 1.628 110.388 108.800 -0.067 0.000 2.402 178 G HA2 -0.097 3.863 3.960 0.001 0.000 0.216 178 G HA3 -0.097 3.863 3.960 0.001 0.000 0.216 178 G C 1.329 176.276 174.900 0.079 0.000 1.162 178 G CA 0.522 45.654 45.100 0.054 0.000 0.777 178 G HN 0.432 nan 8.290 nan 0.000 0.539 179 L N 0.726 121.954 121.223 0.009 0.000 2.017 179 L HA -0.086 4.255 4.340 0.001 0.000 0.208 179 L C 3.420 180.299 176.870 0.014 0.000 1.073 179 L CA 1.188 56.032 54.840 0.006 0.000 0.745 179 L CB -0.535 41.514 42.059 -0.018 0.000 0.894 179 L HN 0.300 nan 8.230 nan 0.000 0.432 180 A N -0.170 122.657 122.820 0.013 0.000 1.933 180 A HA -0.283 4.037 4.320 0.001 0.000 0.218 180 A C 1.947 179.537 177.584 0.010 0.000 1.175 180 A CA 2.129 54.170 52.037 0.007 0.000 0.628 180 A CB -0.634 18.367 19.000 0.002 0.000 0.814 180 A HN 0.456 nan 8.150 nan 0.000 0.444 181 D N -0.264 120.162 120.400 0.043 0.000 2.097 181 D HA -0.025 4.616 4.640 0.001 0.000 0.195 181 D C 2.044 178.340 176.300 -0.006 0.000 0.989 181 D CA 1.625 55.636 54.000 0.017 0.000 0.827 181 D CB -0.204 40.661 40.800 0.109 0.000 0.966 181 D HN 0.327 nan 8.370 nan 0.000 0.456 182 A N -0.163 122.679 122.820 0.036 0.000 1.969 182 A HA -0.068 4.253 4.320 0.001 0.000 0.218 182 A C 2.103 179.688 177.584 0.000 0.000 1.169 182 A CA 1.134 53.185 52.037 0.023 0.000 0.635 182 A CB -0.722 18.302 19.000 0.040 0.000 0.810 182 A HN 0.382 nan 8.150 nan 0.000 0.445 183 L N -0.467 120.755 121.223 -0.001 0.000 2.072 183 L HA -0.002 4.338 4.340 0.001 0.000 0.205 183 L C 2.208 179.071 176.870 -0.012 0.000 1.079 183 L CA 1.550 56.387 54.840 -0.005 0.000 0.752 183 L CB -0.470 41.586 42.059 -0.005 0.000 0.906 183 L HN 0.369 nan 8.230 nan 0.000 0.436 184 L N -0.672 120.538 121.223 -0.022 0.000 2.141 184 L HA -0.155 4.186 4.340 0.001 0.000 0.209 184 L C 1.437 178.284 176.870 -0.038 0.000 1.094 184 L CA 1.057 55.878 54.840 -0.031 0.000 0.763 184 L CB -0.456 41.577 42.059 -0.044 0.000 0.908 184 L HN 0.270 nan 8.230 nan 0.000 0.437 185 D N -1.010 119.359 120.400 -0.051 0.000 2.349 185 D HA 0.042 4.682 4.640 0.001 0.000 0.214 185 D C 0.485 176.767 176.300 -0.029 0.000 1.063 185 D CA 0.211 54.178 54.000 -0.056 0.000 0.847 185 D CB 0.400 41.139 40.800 -0.103 0.000 0.933 185 D HN -0.000 nan 8.370 nan 0.000 0.513 186 S N -0.417 115.273 115.700 -0.017 0.000 3.797 186 S HA -0.131 4.339 4.470 0.001 0.000 0.374 186 S C -0.013 174.586 174.600 -0.002 0.000 0.970 186 S CA -0.080 58.117 58.200 -0.005 0.000 1.177 186 S CB -1.434 61.765 63.200 -0.001 0.000 0.891 186 S HN 0.099 nan 8.310 nan 0.000 0.491 187 V N 3.259 123.173 119.914 0.001 0.000 2.370 187 V HA 0.406 4.526 4.120 0.001 0.000 0.279 187 V C -1.557 174.545 176.094 0.013 0.000 1.029 187 V CA -1.889 60.420 62.300 0.015 0.000 0.870 187 V CB 1.356 33.197 31.823 0.029 0.000 0.984 187 V HN 0.242 nan 8.190 nan 0.000 0.451 188 P HA 0.257 nan 4.420 nan 0.000 0.267 188 P C -0.873 176.424 177.300 -0.006 0.000 1.209 188 P CA 0.101 63.200 63.100 -0.002 0.000 0.763 188 P CB 1.292 33.001 31.700 0.013 0.000 0.816 189 L N 3.852 125.044 121.223 -0.051 0.000 2.549 189 L HA 0.417 4.757 4.340 0.001 0.000 0.259 189 L C -1.511 175.273 176.870 -0.143 0.000 0.934 189 L CA -0.846 53.954 54.840 -0.066 0.000 0.865 189 L CB 2.324 44.375 42.059 -0.014 0.000 1.352 189 L HN 0.009 nan 8.230 nan 0.000 0.410 190 V N 3.879 123.666 119.914 -0.211 0.000 2.378 190 V HA 0.765 4.886 4.120 0.001 0.000 0.288 190 V C 0.106 176.122 176.094 -0.130 0.000 1.016 190 V CA -0.302 61.836 62.300 -0.270 0.000 0.840 190 V CB 1.412 32.855 31.823 -0.633 0.000 0.994 190 V HN 0.800 nan 8.190 nan 0.000 0.431 191 A N 6.652 129.426 122.820 -0.076 0.000 2.288 191 A HA 0.890 5.210 4.320 0.001 0.000 0.320 191 A C -0.668 176.904 177.584 -0.021 0.000 1.217 191 A CA -0.469 51.547 52.037 -0.035 0.000 0.840 191 A CB 0.602 19.584 19.000 -0.029 0.000 1.179 191 A HN 0.782 nan 8.150 nan 0.000 0.504 192 I N 2.678 123.244 120.570 -0.007 0.000 2.389 192 I HA 0.412 4.582 4.170 0.001 0.000 0.288 192 I C 0.085 176.204 176.117 0.003 0.000 0.999 192 I CA -0.303 60.997 61.300 0.001 0.000 1.129 192 I CB 2.300 40.304 38.000 0.007 0.000 1.288 192 I HN 0.732 nan 8.210 nan 0.000 0.444 193 T N 1.784 116.339 114.554 0.001 0.000 2.863 193 T HA 0.656 5.006 4.350 0.001 0.000 0.285 193 T C 0.127 174.828 174.700 0.002 0.000 1.009 193 T CA -0.829 61.272 62.100 0.001 0.000 0.989 193 T CB 1.804 70.665 68.868 -0.012 0.000 1.004 193 T HN 0.647 nan 8.240 nan 0.000 0.455 194 G N 0.832 109.638 108.800 0.009 0.000 2.539 194 G HA2 0.510 4.470 3.960 0.001 0.000 0.258 194 G HA3 0.510 4.470 3.960 0.001 0.000 0.258 194 G C -0.704 174.192 174.900 -0.006 0.000 1.202 194 G CA -0.293 44.812 45.100 0.009 0.000 0.851 194 G HN 0.819 nan 8.290 nan 0.000 0.556 195 Q N -0.692 119.104 119.800 -0.006 0.000 2.456 195 Q HA 0.498 4.838 4.340 0.001 0.000 0.284 195 Q C -0.044 175.952 176.000 -0.008 0.000 1.061 195 Q CA -0.719 55.075 55.803 -0.014 0.000 0.799 195 Q CB 1.898 30.629 28.738 -0.011 0.000 1.445 195 Q HN 0.933 nan 8.270 nan 0.000 0.411 196 V N -0.070 119.838 119.914 -0.010 0.000 3.432 196 V HA 0.523 4.643 4.120 0.001 0.000 0.304 196 V C -2.195 173.905 176.094 0.010 0.000 1.107 196 V CA -1.324 60.980 62.300 0.006 0.000 1.153 196 V CB -0.425 31.405 31.823 0.012 0.000 1.072 196 V HN 0.792 nan 8.190 nan 0.000 0.485 197 P HA 0.188 nan 4.420 nan 0.000 0.267 197 P C 0.560 177.865 177.300 0.007 0.000 1.200 197 P CA 0.054 63.161 63.100 0.012 0.000 0.772 197 P CB 0.336 32.046 31.700 0.016 0.000 0.855 198 R N 2.518 123.020 120.500 0.003 0.000 2.112 198 R HA -0.249 4.092 4.340 0.001 0.000 0.242 198 R C 2.270 178.572 176.300 0.002 0.000 1.137 198 R CA 2.166 58.266 56.100 0.001 0.000 0.944 198 R CB -0.585 29.714 30.300 -0.002 0.000 0.857 198 R HN 0.578 nan 8.270 nan 0.000 0.435 199 R N 0.170 120.672 120.500 0.003 0.000 2.200 199 R HA -0.084 4.256 4.340 0.001 0.000 0.234 199 R C 1.570 177.874 176.300 0.007 0.000 1.127 199 R CA 1.402 57.505 56.100 0.004 0.000 0.989 199 R CB -0.206 30.096 30.300 0.004 0.000 0.869 199 R HN 0.168 nan 8.270 nan 0.000 0.459 200 M N 0.961 120.567 119.600 0.011 0.000 2.514 200 M HA 0.221 4.702 4.480 0.001 0.000 0.258 200 M C 0.796 177.104 176.300 0.012 0.000 1.119 200 M CA -0.163 55.146 55.300 0.016 0.000 1.111 200 M CB -0.190 32.426 32.600 0.026 0.000 1.390 200 M HN 0.054 nan 8.290 nan 0.000 0.475 201 I N 1.001 121.575 120.570 0.006 0.000 2.775 201 I HA 0.042 4.212 4.170 0.001 0.000 0.290 201 I C 1.521 177.639 176.117 0.001 0.000 1.203 201 I CA 0.866 62.167 61.300 0.001 0.000 1.433 201 I CB 0.040 38.039 38.000 -0.002 0.000 1.354 201 I HN 0.641 nan 8.210 nan 0.000 0.579 202 G N 3.741 112.540 108.800 -0.001 0.000 2.184 202 G HA2 -0.317 3.644 3.960 0.001 0.000 0.264 202 G HA3 -0.317 3.644 3.960 0.001 0.000 0.264 202 G C 0.726 175.627 174.900 0.003 0.000 0.975 202 G CA 0.640 45.739 45.100 -0.001 0.000 0.642 202 G HN 0.803 nan 8.290 nan 0.000 0.536 203 T N -2.111 112.447 114.554 0.007 0.000 3.145 203 T HA 0.394 4.745 4.350 0.001 0.000 0.255 203 T C 0.680 175.389 174.700 0.016 0.000 1.039 203 T CA 0.851 62.958 62.100 0.011 0.000 0.928 203 T CB 0.106 68.983 68.868 0.014 0.000 1.029 203 T HN 0.507 nan 8.240 nan 0.000 0.554 204 D N 0.949 121.357 120.400 0.014 0.000 2.800 204 D HA -0.124 4.516 4.640 0.001 0.000 0.232 204 D C 0.506 176.829 176.300 0.037 0.000 1.137 204 D CA 0.812 54.823 54.000 0.018 0.000 0.718 204 D CB -1.589 39.221 40.800 0.017 0.000 1.084 204 D HN 0.820 nan 8.370 nan 0.000 0.432 205 A N -0.087 122.757 122.820 0.040 0.000 2.366 205 A HA 0.356 4.676 4.320 0.001 0.000 0.250 205 A C 0.389 178.043 177.584 0.116 0.000 1.099 205 A CA -0.286 51.797 52.037 0.077 0.000 0.794 205 A CB 0.199 19.237 19.000 0.063 0.000 1.056 205 A HN 0.197 nan 8.150 nan 0.000 0.499 206 F N 0.804 120.750 119.950 -0.007 0.000 2.578 206 F HA 0.148 4.675 4.527 0.001 0.000 0.381 206 F C 1.231 177.027 175.800 -0.007 0.000 1.069 206 F CA 0.886 58.882 58.000 -0.007 0.000 1.231 206 F CB -0.344 38.652 39.000 -0.006 0.000 1.086 206 F HN 0.758 nan 8.300 nan 0.000 0.564 207 Q N 2.113 121.575 119.800 -0.563 0.000 2.457 207 Q HA -0.308 4.032 4.340 0.001 0.000 0.283 207 Q C -0.185 175.671 176.000 -0.240 0.000 1.234 207 Q CA 1.222 56.713 55.803 -0.520 0.000 0.877 207 Q CB -1.336 26.926 28.738 -0.794 0.000 1.250 207 Q HN 0.852 nan 8.270 nan 0.000 0.481 208 E N 0.442 120.564 120.200 -0.130 0.000 2.231 208 E HA 0.459 4.810 4.350 0.001 0.000 0.277 208 E C -0.812 175.750 176.600 -0.064 0.000 0.999 208 E CA -0.143 56.213 56.400 -0.074 0.000 0.827 208 E CB 1.246 30.927 29.700 -0.031 0.000 1.101 208 E HN 0.070 nan 8.360 nan 0.000 0.393 209 T N 5.072 119.592 114.554 -0.056 0.000 3.032 209 T HA 0.297 4.647 4.350 0.001 0.000 0.312 209 T C -2.576 172.101 174.700 -0.039 0.000 1.078 209 T CA -1.169 60.902 62.100 -0.048 0.000 1.028 209 T CB 1.819 70.653 68.868 -0.057 0.000 1.091 209 T HN 0.400 nan 8.240 nan 0.000 0.457 210 P HA 0.213 nan 4.420 nan 0.000 0.226 210 P C 0.918 178.198 177.300 -0.033 0.000 1.783 210 P CA -0.284 62.799 63.100 -0.029 0.000 0.980 210 P CB -0.206 31.479 31.700 -0.025 0.000 1.967 211 I N 2.127 122.675 120.570 -0.036 0.000 2.264 211 I HA -0.251 3.920 4.170 0.001 0.000 0.248 211 I C 2.087 178.180 176.117 -0.041 0.000 1.111 211 I CA 1.497 62.773 61.300 -0.039 0.000 1.382 211 I CB -0.295 37.681 38.000 -0.039 0.000 1.060 211 I HN -0.058 nan 8.210 nan 0.000 0.418 212 V N 0.124 120.013 119.914 -0.041 0.000 2.427 212 V HA -0.255 3.865 4.120 0.001 0.000 0.248 212 V C 2.480 178.542 176.094 -0.052 0.000 1.051 212 V CA 2.004 64.272 62.300 -0.053 0.000 1.048 212 V CB -0.618 31.172 31.823 -0.055 0.000 0.666 212 V HN 0.453 nan 8.190 nan 0.000 0.456 213 E N 0.056 120.232 120.200 -0.041 0.000 2.072 213 E HA -0.142 4.208 4.350 0.001 0.000 0.190 213 E C 2.080 178.660 176.600 -0.034 0.000 0.982 213 E CA 1.278 57.656 56.400 -0.036 0.000 0.803 213 E CB -0.256 29.427 29.700 -0.029 0.000 0.755 213 E HN 0.326 nan 8.360 nan 0.000 0.453 214 V N 0.503 120.397 119.914 -0.034 0.000 2.343 214 V HA -0.238 3.883 4.120 0.001 0.000 0.247 214 V C 2.352 178.425 176.094 -0.034 0.000 1.051 214 V CA 2.253 64.533 62.300 -0.033 0.000 1.036 214 V CB -0.826 30.976 31.823 -0.034 0.000 0.654 214 V HN 0.595 nan 8.190 nan 0.000 0.451 215 T N -2.565 111.966 114.554 -0.039 0.000 3.107 215 T HA -0.004 4.346 4.350 0.001 0.000 0.249 215 T C 1.752 176.428 174.700 -0.040 0.000 1.096 215 T CA 0.308 62.384 62.100 -0.039 0.000 1.012 215 T CB -0.222 68.621 68.868 -0.042 0.000 0.977 215 T HN 0.363 nan 8.240 nan 0.000 0.527 216 R N 1.956 122.431 120.500 -0.043 0.000 2.117 216 R HA -0.123 4.218 4.340 0.001 0.000 0.243 216 R C 2.368 178.653 176.300 -0.025 0.000 1.143 216 R CA 1.954 58.029 56.100 -0.041 0.000 0.968 216 R CB -0.392 29.885 30.300 -0.039 0.000 0.863 216 R HN 0.588 nan 8.270 nan 0.000 0.444 217 S N -0.122 115.566 115.700 -0.021 0.000 2.593 217 S HA 0.012 4.482 4.470 0.001 0.000 0.217 217 S C 1.450 176.042 174.600 -0.014 0.000 0.966 217 S CA 0.246 58.438 58.200 -0.015 0.000 0.914 217 S CB -0.109 63.083 63.200 -0.015 0.000 0.776 217 S HN 0.548 nan 8.310 nan 0.000 0.523 218 I N -0.057 120.503 120.570 -0.017 0.000 3.833 218 I HA 0.406 4.577 4.170 0.001 0.000 0.328 218 I C -0.248 175.861 176.117 -0.014 0.000 1.554 218 I CA -0.614 60.677 61.300 -0.015 0.000 1.116 218 I CB 0.312 38.302 38.000 -0.016 0.000 1.182 218 I HN 0.171 nan 8.210 nan 0.000 0.459 219 T N -3.223 111.322 114.554 -0.014 0.000 2.883 219 T HA 0.356 4.706 4.350 0.001 0.000 0.296 219 T C 0.419 175.121 174.700 0.003 0.000 1.117 219 T CA -0.747 61.346 62.100 -0.012 0.000 1.006 219 T CB 2.918 71.769 68.868 -0.027 0.000 1.191 219 T HN 0.157 nan 8.240 nan 0.000 0.508 220 K N -0.240 120.167 120.400 0.012 0.000 2.103 220 K HA -0.010 4.311 4.320 0.001 0.000 0.204 220 K C 0.250 176.896 176.600 0.076 0.000 1.052 220 K CA 1.146 57.449 56.287 0.027 0.000 0.945 220 K CB 0.040 32.547 32.500 0.012 0.000 0.722 220 K HN 0.760 nan 8.250 nan 0.000 0.443 221 H N -1.275 117.743 119.070 -0.087 0.000 2.969 221 H HA 0.267 4.823 4.556 0.001 0.000 0.304 221 H C -1.911 173.329 175.328 -0.146 0.000 1.400 221 H CA -1.054 54.904 56.048 -0.150 0.000 1.182 221 H CB 1.001 30.648 29.762 -0.192 0.000 1.865 221 H HN 0.264 nan 8.280 nan 0.000 0.512 222 N N 0.475 118.708 118.700 -0.779 0.000 2.825 222 N HA 0.421 5.161 4.740 0.001 0.000 0.253 222 N C -2.001 173.045 175.510 -0.773 0.000 1.426 222 N CA -0.689 52.063 53.050 -0.497 0.000 0.851 222 N CB 1.480 39.835 38.487 -0.220 0.000 1.470 222 N HN 0.410 nan 8.380 nan 0.000 0.517 223 Y N -1.104 119.044 120.300 -0.253 0.000 2.588 223 Y HA 0.637 5.187 4.550 0.001 0.000 0.343 223 Y C -1.168 174.671 175.900 -0.102 0.000 1.065 223 Y CA -1.067 56.928 58.100 -0.175 0.000 1.038 223 Y CB 1.955 40.344 38.460 -0.117 0.000 1.297 223 Y HN 0.600 nan 8.280 nan 0.000 0.467 224 L N 2.570 123.854 121.223 0.102 0.000 2.345 224 L HA 0.657 4.998 4.340 0.001 0.000 0.274 224 L C -1.396 175.508 176.870 0.056 0.000 0.999 224 L CA -0.691 54.177 54.840 0.047 0.000 0.849 224 L CB 0.955 43.022 42.059 0.013 0.000 1.220 224 L HN 0.436 nan 8.230 nan 0.000 0.422 225 V N 6.721 126.656 119.914 0.035 0.000 2.521 225 V HA 0.129 4.249 4.120 0.001 0.000 0.286 225 V C 1.110 177.206 176.094 0.003 0.000 1.034 225 V CA 0.147 62.453 62.300 0.011 0.000 1.045 225 V CB 0.980 32.793 31.823 -0.017 0.000 0.974 225 V HN 0.809 nan 8.190 nan 0.000 0.480 226 M N 2.777 122.377 119.600 0.002 0.000 2.306 226 M HA 0.362 4.842 4.480 0.001 0.000 0.292 226 M C -0.149 176.142 176.300 -0.014 0.000 1.018 226 M CA 0.213 55.511 55.300 -0.004 0.000 1.007 226 M CB 0.035 32.637 32.600 0.003 0.000 1.510 226 M HN 0.793 nan 8.290 nan 0.000 0.537 227 D N -0.503 119.883 120.400 -0.024 0.000 2.931 227 D HA 0.106 4.746 4.640 0.001 0.000 0.215 227 D C 0.388 176.656 176.300 -0.053 0.000 1.297 227 D CA -0.169 53.810 54.000 -0.036 0.000 0.892 227 D CB 2.051 42.830 40.800 -0.036 0.000 1.642 227 D HN -0.179 nan 8.370 nan 0.000 0.560 228 V N 3.969 123.847 119.914 -0.060 0.000 2.546 228 V HA -0.159 3.961 4.120 0.001 0.000 0.254 228 V C 1.629 177.658 176.094 -0.109 0.000 1.076 228 V CA 1.926 64.178 62.300 -0.079 0.000 1.087 228 V CB -0.183 31.593 31.823 -0.079 0.000 0.674 228 V HN 0.565 nan 8.190 nan 0.000 0.470 229 E N -0.192 119.947 120.200 -0.103 0.000 2.265 229 E HA -0.176 4.174 4.350 0.001 0.000 0.196 229 E C 1.706 178.227 176.600 -0.132 0.000 0.996 229 E CA 1.318 57.643 56.400 -0.125 0.000 0.832 229 E CB -0.212 29.430 29.700 -0.098 0.000 0.756 229 E HN 0.715 nan 8.360 nan 0.000 0.491 230 D N 0.134 120.472 120.400 -0.103 0.000 2.333 230 D HA 0.036 4.677 4.640 0.001 0.000 0.208 230 D C 1.988 178.217 176.300 -0.118 0.000 0.984 230 D CA 0.003 53.944 54.000 -0.097 0.000 0.873 230 D CB 0.008 40.769 40.800 -0.064 0.000 0.935 230 D HN 0.199 nan 8.370 nan 0.000 0.521 231 I N 1.670 122.167 120.570 -0.121 0.000 2.113 231 I HA -0.278 3.892 4.170 0.001 0.000 0.242 231 I C -0.566 175.492 176.117 -0.097 0.000 1.064 231 I CA 1.576 62.812 61.300 -0.106 0.000 1.320 231 I CB -1.532 36.412 38.000 -0.093 0.000 1.028 231 I HN 0.027 nan 8.210 nan 0.000 0.406 232 P HA -0.195 nan 4.420 nan 0.000 0.215 232 P C 1.660 178.942 177.300 -0.029 0.000 1.157 232 P CA 1.577 64.619 63.100 -0.095 0.000 0.874 232 P CB -0.145 31.332 31.700 -0.372 0.000 0.790 233 R N -0.365 120.087 120.500 -0.080 0.000 2.073 233 R HA -0.088 4.253 4.340 0.001 0.000 0.234 233 R C 2.299 178.542 176.300 -0.094 0.000 1.134 233 R CA 1.431 57.494 56.100 -0.062 0.000 0.952 233 R CB -0.835 29.426 30.300 -0.066 0.000 0.850 233 R HN 0.147 nan 8.270 nan 0.000 0.433 234 I N 0.836 121.301 120.570 -0.175 0.000 2.163 234 I HA -0.309 3.861 4.170 0.001 0.000 0.243 234 I C 2.198 178.154 176.117 -0.268 0.000 1.085 234 I CA 0.957 62.022 61.300 -0.391 0.000 1.347 234 I CB -0.261 37.467 38.000 -0.455 0.000 1.044 234 I HN 0.219 nan 8.210 nan 0.000 0.408 235 I N 0.783 121.304 120.570 -0.082 0.000 2.226 235 I HA -0.290 3.881 4.170 0.001 0.000 0.245 235 I C 2.560 178.792 176.117 0.191 0.000 1.100 235 I CA 1.642 62.996 61.300 0.091 0.000 1.374 235 I CB -1.194 36.871 38.000 0.109 0.000 1.057 235 I HN 0.396 nan 8.210 nan 0.000 0.413 236 E N 1.132 121.387 120.200 0.091 0.000 2.077 236 E HA -0.230 4.121 4.350 0.001 0.000 0.193 236 E C 2.016 178.728 176.600 0.187 0.000 0.989 236 E CA 1.321 57.789 56.400 0.114 0.000 0.800 236 E CB 0.047 29.780 29.700 0.056 0.000 0.746 236 E HN 0.484 nan 8.360 nan 0.000 0.452 237 E N 0.032 120.298 120.200 0.110 0.000 2.106 237 E HA -0.173 4.178 4.350 0.001 0.000 0.192 237 E C 2.046 178.794 176.600 0.247 0.000 0.984 237 E CA 0.775 57.278 56.400 0.170 0.000 0.806 237 E CB -0.115 29.658 29.700 0.121 0.000 0.750 237 E HN 0.388 nan 8.360 nan 0.000 0.458 238 A N 0.822 123.740 122.820 0.163 0.000 1.883 238 A HA -0.189 4.131 4.320 0.001 0.000 0.217 238 A C 1.890 179.535 177.584 0.102 0.000 1.186 238 A CA 1.298 53.429 52.037 0.156 0.000 0.624 238 A CB -0.783 18.245 19.000 0.048 0.000 0.822 238 A HN 0.174 nan 8.150 nan 0.000 0.444 239 F N -1.588 118.413 119.950 0.084 0.000 2.146 239 F HA -0.054 4.473 4.527 0.001 0.000 0.298 239 F C 2.014 177.868 175.800 0.090 0.000 1.096 239 F CA 1.369 59.415 58.000 0.077 0.000 1.275 239 F CB -0.699 38.342 39.000 0.068 0.000 1.008 239 F HN 0.341 nan 8.300 nan 0.000 0.480 240 F N 0.530 120.601 119.950 0.202 0.000 2.095 240 F HA -0.207 4.320 4.527 0.001 0.000 0.298 240 F C 2.035 177.870 175.800 0.059 0.000 1.104 240 F CA 1.636 59.711 58.000 0.124 0.000 1.232 240 F CB -0.581 38.479 39.000 0.099 0.000 0.987 240 F HN -0.141 nan 8.300 nan 0.000 0.475 241 L N -0.333 120.912 121.223 0.036 0.000 2.093 241 L HA -0.154 4.186 4.340 0.001 0.000 0.208 241 L C 2.761 179.543 176.870 -0.146 0.000 1.085 241 L CA 1.072 55.799 54.840 -0.188 0.000 0.755 241 L CB -1.078 40.909 42.059 -0.121 0.000 0.904 241 L HN 0.247 nan 8.230 nan 0.000 0.435 242 A N -0.112 122.661 122.820 -0.078 0.000 1.933 242 A HA -0.197 4.123 4.320 0.001 0.000 0.218 242 A C 2.347 179.888 177.584 -0.072 0.000 1.175 242 A CA 2.245 54.232 52.037 -0.083 0.000 0.628 242 A CB -0.712 18.202 19.000 -0.142 0.000 0.814 242 A HN 0.521 nan 8.150 nan 0.000 0.444 243 T N -2.633 111.874 114.554 -0.079 0.000 3.037 243 T HA 0.170 4.520 4.350 0.001 0.000 0.252 243 T C 1.118 175.749 174.700 -0.115 0.000 1.073 243 T CA 0.673 62.737 62.100 -0.060 0.000 1.091 243 T CB -0.583 68.288 68.868 0.004 0.000 0.935 243 T HN 0.561 nan 8.240 nan 0.000 0.488 244 S N 0.386 115.938 115.700 -0.246 0.000 2.645 244 S HA 0.618 5.088 4.470 0.001 0.000 0.266 244 S C 1.401 175.963 174.600 -0.064 0.000 1.258 244 S CA -0.112 57.931 58.200 -0.261 0.000 0.990 244 S CB 0.385 63.184 63.200 -0.668 0.000 0.967 244 S HN 1.136 nan 8.310 nan 0.000 0.556 245 G N 1.611 110.388 108.800 -0.038 0.000 2.672 245 G HA2 -0.360 3.601 3.960 0.001 0.000 0.324 245 G HA3 -0.360 3.601 3.960 0.001 0.000 0.324 245 G C -0.006 174.891 174.900 -0.004 0.000 1.286 245 G CA 0.648 45.742 45.100 -0.009 0.000 1.004 245 G HN 1.104 nan 8.290 nan 0.000 0.548 246 R N 1.920 122.432 120.500 0.020 0.000 2.210 246 R HA 0.473 4.813 4.340 0.001 0.000 0.338 246 R C -2.286 174.022 176.300 0.014 0.000 1.062 246 R CA -1.415 54.692 56.100 0.011 0.000 0.902 246 R CB 0.703 31.012 30.300 0.015 0.000 1.050 246 R HN 0.268 nan 8.270 nan 0.000 0.461 247 P HA 0.170 nan 4.420 nan 0.000 0.269 247 P C -0.622 176.676 177.300 -0.004 0.000 1.217 247 P CA -0.025 63.070 63.100 -0.007 0.000 0.783 247 P CB 1.047 32.744 31.700 -0.004 0.000 0.898 248 G N 0.792 109.585 108.800 -0.012 0.000 2.506 248 G HA2 0.472 4.432 3.960 0.001 0.000 0.292 248 G HA3 0.472 4.432 3.960 0.001 0.000 0.292 248 G C -3.336 171.552 174.900 -0.020 0.000 1.425 248 G CA -0.913 44.181 45.100 -0.009 0.000 0.788 248 G HN 0.276 nan 8.290 nan 0.000 0.490 249 P HA 0.547 nan 4.420 nan 0.000 0.284 249 P C -0.812 176.474 177.300 -0.023 0.000 1.253 249 P CA -0.432 62.652 63.100 -0.026 0.000 0.800 249 P CB 2.154 33.845 31.700 -0.015 0.000 0.961 250 V N 4.414 124.307 119.914 -0.036 0.000 2.577 250 V HA 0.360 4.480 4.120 0.001 0.000 0.303 250 V C 0.136 176.223 176.094 -0.012 0.000 1.042 250 V CA -0.771 61.529 62.300 -0.001 0.000 0.872 250 V CB 1.895 33.742 31.823 0.040 0.000 0.998 250 V HN 0.497 nan 8.190 nan 0.000 0.423 251 L N 5.563 126.785 121.223 -0.002 0.000 2.317 251 L HA 0.811 5.151 4.340 0.001 0.000 0.281 251 L C -1.078 175.821 176.870 0.048 0.000 1.024 251 L CA -0.425 54.414 54.840 -0.002 0.000 0.810 251 L CB 1.815 43.859 42.059 -0.025 0.000 1.240 251 L HN 0.473 nan 8.230 nan 0.000 0.427 252 V N 3.699 123.637 119.914 0.039 0.000 2.376 252 V HA 0.292 4.413 4.120 0.001 0.000 0.287 252 V C -0.859 175.250 176.094 0.025 0.000 1.015 252 V CA -0.563 61.771 62.300 0.057 0.000 0.834 252 V CB 1.525 33.358 31.823 0.017 0.000 1.001 252 V HN 0.690 nan 8.190 nan 0.000 0.428 253 D N 3.750 124.167 120.400 0.028 0.000 2.280 253 D HA 0.497 5.137 4.640 0.001 0.000 0.243 253 D C -0.633 175.671 176.300 0.007 0.000 1.129 253 D CA 0.075 54.080 54.000 0.009 0.000 0.848 253 D CB 1.670 42.471 40.800 0.001 0.000 1.107 253 D HN 0.292 nan 8.370 nan 0.000 0.471 254 V N 6.041 125.955 119.914 0.001 0.000 2.349 254 V HA 0.368 4.488 4.120 0.001 0.000 0.284 254 V C -2.140 173.953 176.094 -0.002 0.000 1.014 254 V CA -1.842 60.457 62.300 -0.002 0.000 0.826 254 V CB 1.412 33.232 31.823 -0.005 0.000 1.009 254 V HN 0.538 nan 8.190 nan 0.000 0.431 255 P HA 0.079 nan 4.420 nan 0.000 0.267 255 P C 0.798 178.098 177.300 0.001 0.000 1.200 255 P CA -0.013 63.086 63.100 -0.001 0.000 0.772 255 P CB 0.891 32.590 31.700 -0.003 0.000 0.855 256 K N 2.954 123.357 120.400 0.006 0.000 2.097 256 K HA -0.200 4.120 4.320 0.001 0.000 0.206 256 K C 1.312 177.916 176.600 0.006 0.000 1.049 256 K CA 1.833 58.127 56.287 0.011 0.000 0.933 256 K CB -0.258 32.254 32.500 0.020 0.000 0.717 256 K HN 0.522 nan 8.250 nan 0.000 0.442 257 D N 0.582 120.984 120.400 0.003 0.000 2.178 257 D HA -0.196 4.445 4.640 0.001 0.000 0.202 257 D C 1.867 178.161 176.300 -0.010 0.000 0.974 257 D CA 1.024 55.023 54.000 -0.001 0.000 0.841 257 D CB -0.336 40.464 40.800 -0.001 0.000 0.953 257 D HN 0.371 nan 8.370 nan 0.000 0.478 258 I N 0.240 120.802 120.570 -0.012 0.000 2.761 258 I HA -0.178 3.993 4.170 0.001 0.000 0.261 258 I C 2.481 178.584 176.117 -0.025 0.000 1.198 258 I CA 0.613 61.900 61.300 -0.022 0.000 1.482 258 I CB -0.153 37.833 38.000 -0.023 0.000 1.100 258 I HN -0.076 nan 8.210 nan 0.000 0.445 259 Q N 0.306 120.097 119.800 -0.015 0.000 2.172 259 Q HA -0.192 4.149 4.340 0.001 0.000 0.200 259 Q C 1.912 177.903 176.000 -0.014 0.000 0.964 259 Q CA 1.160 56.956 55.803 -0.012 0.000 0.855 259 Q CB 0.065 28.804 28.738 0.001 0.000 0.918 259 Q HN 0.586 nan 8.270 nan 0.000 0.444 260 Q N 0.001 119.794 119.800 -0.011 0.000 2.402 260 Q HA 0.018 4.359 4.340 0.001 0.000 0.206 260 Q C 0.254 176.241 176.000 -0.021 0.000 0.919 260 Q CA -0.075 55.722 55.803 -0.010 0.000 0.923 260 Q CB 0.315 29.052 28.738 -0.002 0.000 1.048 260 Q HN 0.276 nan 8.270 nan 0.000 0.515 261 Q N 1.432 121.215 119.800 -0.028 0.000 2.311 261 Q HA 0.133 4.473 4.340 0.001 0.000 0.272 261 Q C -0.914 175.055 176.000 -0.052 0.000 1.012 261 Q CA -0.071 55.710 55.803 -0.036 0.000 0.891 261 Q CB 0.526 29.241 28.738 -0.038 0.000 1.201 261 Q HN 0.226 nan 8.270 nan 0.000 0.391 262 L N 3.129 124.323 121.223 -0.049 0.000 2.371 262 L HA 0.671 5.012 4.340 0.001 0.000 0.272 262 L C -0.115 176.709 176.870 -0.075 0.000 1.124 262 L CA -0.262 54.540 54.840 -0.064 0.000 0.816 262 L CB 1.130 43.162 42.059 -0.045 0.000 1.129 262 L HN 0.828 nan 8.230 nan 0.000 0.448 263 A N 3.529 126.289 122.820 -0.100 0.000 2.544 263 A HA 0.654 4.975 4.320 0.001 0.000 0.291 263 A C -1.381 176.125 177.584 -0.130 0.000 1.055 263 A CA -0.575 51.398 52.037 -0.107 0.000 0.651 263 A CB 0.924 19.854 19.000 -0.117 0.000 1.296 263 A HN 0.538 nan 8.150 nan 0.000 0.431 264 I N 2.645 123.140 120.570 -0.125 0.000 2.328 264 I HA 0.360 4.530 4.170 0.001 0.000 0.287 264 I C -1.942 174.050 176.117 -0.209 0.000 1.012 264 I CA -1.786 59.438 61.300 -0.127 0.000 1.195 264 I CB 1.815 39.770 38.000 -0.076 0.000 1.350 264 I HN 0.490 nan 8.210 nan 0.000 0.464 265 P HA 0.041 nan 4.420 nan 0.000 0.271 265 P C -1.081 175.811 177.300 -0.679 0.000 1.218 265 P CA -0.267 62.456 63.100 -0.629 0.000 0.780 265 P CB 0.903 32.020 31.700 -0.972 0.000 0.901 266 N N 1.723 120.009 118.700 -0.689 0.000 2.518 266 N HA 0.175 4.915 4.740 0.001 0.000 0.254 266 N C -0.298 174.938 175.510 -0.455 0.000 0.979 266 N CA -0.694 52.095 53.050 -0.436 0.000 0.930 266 N CB 0.508 38.856 38.487 -0.232 0.000 1.152 266 N HN 0.385 nan 8.380 nan 0.000 0.505 267 W N 1.900 123.180 121.300 -0.034 0.000 3.405 267 W HA 0.211 4.871 4.660 0.001 0.000 0.300 267 W C 1.062 177.556 176.519 -0.043 0.000 1.286 267 W CA -0.466 56.850 57.345 -0.049 0.000 1.762 267 W CB 0.539 29.967 29.460 -0.053 0.000 1.087 267 W HN 0.472 nan 8.180 nan 0.000 0.703 268 E N 0.181 120.436 120.200 0.091 0.000 2.476 268 E HA 0.033 4.383 4.350 0.001 0.000 0.199 268 E C 0.454 177.062 176.600 0.014 0.000 1.021 268 E CA 0.273 56.707 56.400 0.057 0.000 0.907 268 E CB -0.201 29.522 29.700 0.039 0.000 0.974 268 E HN 0.443 nan 8.360 nan 0.000 0.489 269 Q N 0.834 120.626 119.800 -0.014 0.000 2.349 269 Q HA 0.250 4.590 4.340 0.001 0.000 0.287 269 Q C -0.016 175.972 176.000 -0.020 0.000 1.044 269 Q CA 0.013 55.799 55.803 -0.030 0.000 0.918 269 Q CB 0.663 29.367 28.738 -0.057 0.000 1.242 269 Q HN 0.047 nan 8.270 nan 0.000 0.405 270 A N 3.199 126.004 122.820 -0.025 0.000 2.322 270 A HA 0.439 4.760 4.320 0.001 0.000 0.269 270 A C -0.095 177.467 177.584 -0.036 0.000 1.094 270 A CA -0.532 51.486 52.037 -0.032 0.000 0.807 270 A CB 0.469 19.452 19.000 -0.029 0.000 1.047 270 A HN 0.749 nan 8.150 nan 0.000 0.487 271 M N 1.020 120.586 119.600 -0.057 0.000 2.250 271 M HA 0.255 4.736 4.480 0.001 0.000 0.344 271 M C 0.326 176.610 176.300 -0.028 0.000 1.150 271 M CA 0.351 55.620 55.300 -0.051 0.000 1.147 271 M CB 0.787 33.319 32.600 -0.113 0.000 1.498 271 M HN 0.617 nan 8.290 nan 0.000 0.461 272 R N 3.173 123.680 120.500 0.012 0.000 4.017 272 R HA 0.336 4.676 4.340 0.001 0.000 0.272 272 R C -0.631 175.697 176.300 0.046 0.000 1.516 272 R CA -0.043 56.075 56.100 0.029 0.000 1.519 272 R CB -0.283 30.046 30.300 0.049 0.000 1.422 272 R HN 0.623 nan 8.270 nan 0.000 0.719 273 L N 1.518 122.760 121.223 0.032 0.000 3.096 273 L HA 0.248 4.588 4.340 0.001 0.000 0.272 273 L C -1.408 175.516 176.870 0.089 0.000 1.311 273 L CA -1.220 53.665 54.840 0.075 0.000 0.943 273 L CB 0.784 42.904 42.059 0.102 0.000 1.348 273 L HN 0.137 nan 8.230 nan 0.000 0.562 274 P HA -0.195 nan 4.420 nan 0.000 0.215 274 P C 1.582 178.913 177.300 0.052 0.000 1.157 274 P CA 1.882 65.006 63.100 0.039 0.000 0.874 274 P CB 0.325 32.038 31.700 0.023 0.000 0.790 275 G N -1.164 107.672 108.800 0.060 0.000 2.404 275 G HA2 -0.292 3.669 3.960 0.001 0.000 0.215 275 G HA3 -0.292 3.669 3.960 0.001 0.000 0.215 275 G C 1.693 176.641 174.900 0.080 0.000 1.174 275 G CA 0.662 45.794 45.100 0.054 0.000 0.780 275 G HN 0.227 nan 8.290 nan 0.000 0.537 276 Y N 1.040 121.345 120.300 0.008 0.000 2.145 276 Y HA -0.050 4.500 4.550 0.001 0.000 0.286 276 Y C 2.909 178.854 175.900 0.073 0.000 1.145 276 Y CA 1.888 60.009 58.100 0.036 0.000 1.148 276 Y CB -0.129 38.367 38.460 0.060 0.000 0.981 276 Y HN 0.126 nan 8.280 nan 0.000 0.507 277 M N -1.039 118.677 119.600 0.193 0.000 2.279 277 M HA -0.181 4.299 4.480 0.001 0.000 0.264 277 M C 2.452 178.751 176.300 -0.001 0.000 1.062 277 M CA 1.656 57.021 55.300 0.109 0.000 1.099 277 M CB -0.380 32.285 32.600 0.108 0.000 1.394 277 M HN 0.332 nan 8.290 nan 0.000 0.426 278 S N 0.393 116.088 115.700 -0.009 0.000 2.406 278 S HA -0.038 4.433 4.470 0.001 0.000 0.228 278 S C 1.845 176.408 174.600 -0.063 0.000 1.020 278 S CA 0.764 58.949 58.200 -0.026 0.000 0.965 278 S CB 0.032 63.226 63.200 -0.011 0.000 0.798 278 S HN 0.368 nan 8.310 nan 0.000 0.488 279 R N 0.594 121.027 120.500 -0.112 0.000 2.317 279 R HA 0.295 4.636 4.340 0.001 0.000 0.208 279 R C 0.277 176.460 176.300 -0.195 0.000 0.914 279 R CA -0.047 55.968 56.100 -0.142 0.000 1.060 279 R CB -0.616 29.597 30.300 -0.145 0.000 1.015 279 R HN 0.488 nan 8.270 nan 0.000 0.498 280 M N 2.768 122.233 119.600 -0.224 0.000 2.303 280 M HA 0.079 4.560 4.480 0.001 0.000 0.350 280 M C -1.842 174.386 176.300 -0.120 0.000 1.518 280 M CA -1.090 54.086 55.300 -0.207 0.000 1.070 280 M CB -0.132 32.391 32.600 -0.129 0.000 1.910 280 M HN -0.309 nan 8.290 nan 0.000 0.458 281 P HA 0.078 nan 4.420 nan 0.000 0.265 281 P C -0.249 177.011 177.300 -0.066 0.000 1.187 281 P CA 0.369 63.413 63.100 -0.093 0.000 0.766 281 P CB 0.346 31.986 31.700 -0.102 0.000 0.820 282 K N 4.005 124.371 120.400 -0.057 0.000 2.090 282 K HA 0.461 4.782 4.320 0.001 0.000 0.249 282 K C -2.237 174.339 176.600 -0.040 0.000 0.995 282 K CA -1.714 54.551 56.287 -0.037 0.000 0.914 282 K CB -1.146 31.338 32.500 -0.027 0.000 1.057 282 K HN 0.493 nan 8.250 nan 0.000 0.462 283 P HA 0.119 nan 4.420 nan 0.000 0.265 283 P C -2.327 174.957 177.300 -0.027 0.000 1.193 283 P CA -0.689 62.396 63.100 -0.026 0.000 0.765 283 P CB -0.307 31.386 31.700 -0.011 0.000 0.823 284 P HA 0.022 nan 4.420 nan 0.000 0.266 284 P C -0.211 177.099 177.300 0.016 0.000 1.193 284 P CA 0.453 63.533 63.100 -0.033 0.000 0.770 284 P CB 0.852 32.519 31.700 -0.056 0.000 0.836 285 E N 1.270 121.512 120.200 0.070 0.000 2.266 285 E HA 0.057 4.407 4.350 0.001 0.000 0.277 285 E C 0.712 177.368 176.600 0.093 0.000 1.018 285 E CA -0.631 55.830 56.400 0.101 0.000 0.840 285 E CB 0.728 30.534 29.700 0.176 0.000 1.082 285 E HN 0.418 nan 8.360 nan 0.000 0.395 286 D N 1.364 121.795 120.400 0.053 0.000 2.178 286 D HA -0.163 4.477 4.640 0.001 0.000 0.201 286 D C 1.963 178.281 176.300 0.031 0.000 0.980 286 D CA 1.487 55.511 54.000 0.041 0.000 0.842 286 D CB -0.028 40.788 40.800 0.027 0.000 0.948 286 D HN 0.406 nan 8.370 nan 0.000 0.472 287 S N 0.549 116.249 115.700 0.001 0.000 2.370 287 S HA -0.221 4.250 4.470 0.001 0.000 0.226 287 S C 1.899 176.450 174.600 -0.082 0.000 1.033 287 S CA 0.962 59.122 58.200 -0.067 0.000 1.011 287 S CB -0.627 62.487 63.200 -0.143 0.000 0.852 287 S HN 0.337 nan 8.310 nan 0.000 0.457 288 H N 1.631 120.706 119.070 0.008 0.000 2.326 288 H HA 0.158 4.714 4.556 0.001 0.000 0.301 288 H C 2.289 177.627 175.328 0.017 0.000 1.081 288 H CA 1.592 57.645 56.048 0.009 0.000 1.334 288 H CB -0.382 29.376 29.762 -0.006 0.000 1.385 288 H HN 0.366 nan 8.280 nan 0.000 0.504 289 L N 0.622 121.930 121.223 0.141 0.000 2.046 289 L HA -0.152 4.188 4.340 0.001 0.000 0.208 289 L C 2.352 179.278 176.870 0.092 0.000 1.077 289 L CA 1.237 56.133 54.840 0.093 0.000 0.747 289 L CB -0.391 41.707 42.059 0.065 0.000 0.896 289 L HN 0.279 nan 8.230 nan 0.000 0.432 290 E N -0.312 119.929 120.200 0.069 0.000 2.204 290 E HA -0.258 4.092 4.350 0.001 0.000 0.194 290 E C 2.107 178.743 176.600 0.060 0.000 0.989 290 E CA 0.661 57.097 56.400 0.060 0.000 0.824 290 E CB -0.012 29.710 29.700 0.036 0.000 0.756 290 E HN 0.493 nan 8.360 nan 0.000 0.477 291 Q N 0.668 120.502 119.800 0.057 0.000 2.167 291 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 291 Q C 2.101 178.153 176.000 0.086 0.000 0.970 291 Q CA 0.855 56.692 55.803 0.056 0.000 0.855 291 Q CB 0.112 28.878 28.738 0.046 0.000 0.911 291 Q HN 0.316 nan 8.270 nan 0.000 0.438 292 I N -0.365 120.273 120.570 0.113 0.000 2.233 292 I HA -0.235 3.936 4.170 0.001 0.000 0.243 292 I C 2.184 178.394 176.117 0.154 0.000 1.093 292 I CA 0.659 62.048 61.300 0.148 0.000 1.380 292 I CB -0.219 37.888 38.000 0.177 0.000 1.067 292 I HN 0.049 nan 8.210 nan 0.000 0.413 293 V N 1.149 121.152 119.914 0.148 0.000 2.469 293 V HA -0.312 3.808 4.120 0.001 0.000 0.251 293 V C 2.638 178.791 176.094 0.099 0.000 1.064 293 V CA 2.009 64.390 62.300 0.135 0.000 1.066 293 V CB -0.900 30.988 31.823 0.108 0.000 0.667 293 V HN 0.437 nan 8.190 nan 0.000 0.461 294 R N -0.100 120.447 120.500 0.079 0.000 2.073 294 R HA -0.137 4.203 4.340 0.001 0.000 0.234 294 R C 2.317 178.654 176.300 0.061 0.000 1.134 294 R CA 1.672 57.806 56.100 0.058 0.000 0.952 294 R CB -0.313 30.013 30.300 0.044 0.000 0.850 294 R HN 0.447 nan 8.270 nan 0.000 0.433 295 L N 0.570 121.834 121.223 0.069 0.000 2.079 295 L HA -0.201 4.139 4.340 0.001 0.000 0.210 295 L C 2.460 179.370 176.870 0.067 0.000 1.081 295 L CA 1.246 56.119 54.840 0.055 0.000 0.752 295 L CB -0.325 41.769 42.059 0.058 0.000 0.896 295 L HN 0.298 nan 8.230 nan 0.000 0.433 296 I N -0.449 120.186 120.570 0.108 0.000 2.226 296 I HA -0.292 3.878 4.170 0.001 0.000 0.245 296 I C 2.741 178.990 176.117 0.219 0.000 1.100 296 I CA 1.663 63.053 61.300 0.152 0.000 1.374 296 I CB -0.354 37.754 38.000 0.180 0.000 1.057 296 I HN 0.361 nan 8.210 nan 0.000 0.413 297 S N 0.041 115.823 115.700 0.136 0.000 2.447 297 S HA -0.142 4.328 4.470 0.001 0.000 0.233 297 S C 1.615 176.255 174.600 0.067 0.000 1.006 297 S CA 0.893 59.145 58.200 0.086 0.000 0.957 297 S CB -0.369 62.853 63.200 0.037 0.000 0.773 297 S HN 0.502 nan 8.310 nan 0.000 0.507 298 E N 1.645 121.882 120.200 0.063 0.000 2.479 298 E HA 0.111 4.461 4.350 0.001 0.000 0.193 298 E C 0.404 177.023 176.600 0.031 0.000 1.049 298 E CA 0.168 56.588 56.400 0.033 0.000 0.870 298 E CB 0.402 30.111 29.700 0.015 0.000 0.944 298 E HN 0.702 nan 8.360 nan 0.000 0.492 299 S N -0.660 115.085 115.700 0.074 0.000 2.617 299 S HA 0.542 5.013 4.470 0.001 0.000 0.283 299 S C 0.674 175.349 174.600 0.125 0.000 1.189 299 S CA -0.280 57.935 58.200 0.026 0.000 1.036 299 S CB 1.911 65.073 63.200 -0.064 0.000 1.014 299 S HN 0.066 nan 8.310 nan 0.000 0.522 300 K N 0.891 121.274 120.400 -0.029 0.000 2.399 300 K HA 0.365 4.685 4.320 0.001 0.000 0.196 300 K C 0.664 177.127 176.600 -0.228 0.000 1.117 300 K CA 0.281 56.573 56.287 0.009 0.000 0.965 300 K CB -0.216 32.259 32.500 -0.042 0.000 0.983 300 K HN 0.744 nan 8.250 nan 0.000 0.531 301 K N 2.167 122.188 120.400 -0.631 0.000 2.954 301 K HA 0.235 4.555 4.320 0.001 0.000 0.171 301 K C -3.011 172.893 176.600 -1.160 0.000 1.079 301 K CA -1.733 53.621 56.287 -1.555 0.000 0.908 301 K CB 1.996 33.382 32.500 -1.858 0.000 1.142 301 K HN 0.214 nan 8.250 nan 0.000 0.613 302 P HA 0.214 nan 4.420 nan 0.000 0.282 302 P C -0.445 176.724 177.300 -0.218 0.000 1.249 302 P CA -0.418 62.368 63.100 -0.523 0.000 0.806 302 P CB 1.750 33.027 31.700 -0.705 0.000 0.984 303 V N 3.922 123.749 119.914 -0.144 0.000 2.668 303 V HA 0.273 4.394 4.120 0.001 0.000 0.304 303 V C 0.252 176.278 176.094 -0.113 0.000 1.071 303 V CA -0.730 61.546 62.300 -0.040 0.000 0.894 303 V CB 2.080 33.912 31.823 0.014 0.000 1.008 303 V HN 0.445 nan 8.190 nan 0.000 0.425 304 L N 4.563 125.713 121.223 -0.122 0.000 2.305 304 L HA 0.419 4.760 4.340 0.001 0.000 0.281 304 L C -0.960 175.851 176.870 -0.097 0.000 1.085 304 L CA -0.473 54.239 54.840 -0.214 0.000 0.813 304 L CB 0.794 42.719 42.059 -0.223 0.000 1.157 304 L HN 0.747 nan 8.230 nan 0.000 0.436 305 Y N 5.237 125.357 120.300 -0.299 0.000 2.805 305 Y HA 0.448 4.999 4.550 0.001 0.000 0.339 305 Y C -0.887 174.895 175.900 -0.195 0.000 1.012 305 Y CA -1.266 56.706 58.100 -0.213 0.000 1.262 305 Y CB 0.547 38.876 38.460 -0.217 0.000 1.100 305 Y HN 0.160 nan 8.280 nan 0.000 0.559 306 V N 5.267 125.169 119.914 -0.021 0.000 2.567 306 V HA 0.828 4.949 4.120 0.001 0.000 0.289 306 V C 0.615 176.682 176.094 -0.046 0.000 1.049 306 V CA 0.229 62.489 62.300 -0.067 0.000 0.969 306 V CB 1.102 32.925 31.823 -0.000 0.000 0.995 306 V HN 0.876 nan 8.190 nan 0.000 0.471 307 G N 2.083 110.838 108.800 -0.075 0.000 3.222 307 G HA2 0.523 4.483 3.960 0.001 0.000 0.263 307 G HA3 0.523 4.483 3.960 0.001 0.000 0.263 307 G C 0.919 175.823 174.900 0.006 0.000 1.312 307 G CA 0.025 45.099 45.100 -0.044 0.000 0.934 307 G HN 0.873 nan 8.290 nan 0.000 0.577 308 G N -0.451 108.356 108.800 0.012 0.000 2.479 308 G HA2 0.110 4.070 3.960 0.001 0.000 0.220 308 G HA3 0.110 4.070 3.960 0.001 0.000 0.220 308 G C 1.560 176.473 174.900 0.022 0.000 1.115 308 G CA 1.555 46.671 45.100 0.027 0.000 0.757 308 G HN 1.064 nan 8.290 nan 0.000 0.560 309 G N -0.489 108.318 108.800 0.012 0.000 2.679 309 G HA2 -0.071 3.889 3.960 0.001 0.000 0.212 309 G HA3 -0.071 3.889 3.960 0.001 0.000 0.212 309 G C 1.206 176.117 174.900 0.019 0.000 1.137 309 G CA 1.002 46.109 45.100 0.012 0.000 0.787 309 G HN 0.449 nan 8.290 nan 0.000 0.534 310 C N 0.569 119.890 119.300 0.034 0.000 2.855 310 C HA 0.356 4.816 4.460 0.001 0.000 0.279 310 C C 2.394 177.418 174.990 0.057 0.000 1.270 310 C CA -0.592 58.455 59.018 0.049 0.000 1.702 310 C CB -1.027 26.756 27.740 0.072 0.000 1.949 310 C HN 0.422 nan 8.230 nan 0.000 0.618 311 L N 1.129 122.382 121.223 0.051 0.000 2.349 311 L HA -0.146 4.194 4.340 0.001 0.000 0.220 311 L C 1.361 178.263 176.870 0.054 0.000 1.130 311 L CA 1.516 56.390 54.840 0.057 0.000 0.791 311 L CB -0.505 41.584 42.059 0.049 0.000 0.918 311 L HN 0.572 nan 8.230 nan 0.000 0.444 312 N N -1.715 117.011 118.700 0.044 0.000 2.235 312 N HA 0.086 4.826 4.740 0.001 0.000 0.231 312 N C 0.330 175.866 175.510 0.042 0.000 1.177 312 N CA -0.206 52.868 53.050 0.041 0.000 0.874 312 N CB 0.784 39.289 38.487 0.029 0.000 1.097 312 N HN -0.015 nan 8.380 nan 0.000 0.518 313 S N -0.809 114.922 115.700 0.052 0.000 2.741 313 S HA 0.090 4.560 4.470 0.001 0.000 0.247 313 S C 1.332 175.985 174.600 0.088 0.000 1.050 313 S CA -0.384 57.850 58.200 0.056 0.000 1.025 313 S CB 0.564 63.786 63.200 0.037 0.000 0.897 313 S HN 0.219 nan 8.310 nan 0.000 0.508 314 S N 2.920 118.677 115.700 0.095 0.000 2.369 314 S HA -0.227 4.243 4.470 0.001 0.000 0.225 314 S C 1.533 176.213 174.600 0.133 0.000 1.043 314 S CA 2.011 60.282 58.200 0.119 0.000 1.074 314 S CB -0.281 62.978 63.200 0.100 0.000 0.962 314 S HN 0.526 nan 8.310 nan 0.000 0.433 315 D N 0.589 121.052 120.400 0.106 0.000 2.084 315 D HA -0.070 4.571 4.640 0.001 0.000 0.194 315 D C 2.089 178.466 176.300 0.128 0.000 0.990 315 D CA 1.363 55.429 54.000 0.109 0.000 0.826 315 D CB -0.708 40.142 40.800 0.083 0.000 0.971 315 D HN 0.472 nan 8.370 nan 0.000 0.453 316 E N 0.591 120.858 120.200 0.111 0.000 2.070 316 E HA -0.156 4.194 4.350 0.001 0.000 0.197 316 E C 1.992 178.698 176.600 0.176 0.000 1.004 316 E CA 0.334 56.807 56.400 0.121 0.000 0.805 316 E CB -0.386 29.358 29.700 0.074 0.000 0.744 316 E HN 0.136 nan 8.360 nan 0.000 0.451 317 L N 0.288 121.612 121.223 0.168 0.000 2.017 317 L HA -0.023 4.317 4.340 0.001 0.000 0.208 317 L C 2.084 179.122 176.870 0.279 0.000 1.073 317 L CA 2.299 57.263 54.840 0.208 0.000 0.745 317 L CB -1.062 41.104 42.059 0.178 0.000 0.894 317 L HN 0.190 nan 8.230 nan 0.000 0.432 318 G N -0.795 108.177 108.800 0.288 0.000 2.514 318 G HA2 -0.395 3.565 3.960 0.001 0.000 0.217 318 G HA3 -0.395 3.565 3.960 0.001 0.000 0.217 318 G C 1.723 176.778 174.900 0.258 0.000 1.198 318 G CA 0.988 46.287 45.100 0.332 0.000 0.780 318 G HN 0.376 nan 8.290 nan 0.000 0.565 319 R N 0.186 120.811 120.500 0.209 0.000 2.103 319 R HA -0.104 4.236 4.340 0.001 0.000 0.242 319 R C 2.193 178.605 176.300 0.185 0.000 1.142 319 R CA 1.681 57.883 56.100 0.170 0.000 0.960 319 R CB -1.154 29.235 30.300 0.148 0.000 0.858 319 R HN 0.366 nan 8.270 nan 0.000 0.439 320 F N -0.231 119.775 119.950 0.094 0.000 2.134 320 F HA -0.144 4.383 4.527 0.001 0.000 0.299 320 F C 1.842 177.687 175.800 0.074 0.000 1.097 320 F CA 1.619 59.673 58.000 0.091 0.000 1.264 320 F CB -0.170 38.900 39.000 0.116 0.000 1.001 320 F HN -0.101 nan 8.300 nan 0.000 0.479 321 V N 1.161 121.189 119.914 0.190 0.000 2.453 321 V HA -0.259 3.861 4.120 0.001 0.000 0.247 321 V C 2.104 178.216 176.094 0.029 0.000 1.048 321 V CA 1.974 64.303 62.300 0.048 0.000 1.049 321 V CB -1.010 30.778 31.823 -0.057 0.000 0.672 321 V HN 0.527 nan 8.190 nan 0.000 0.457 322 E N 0.073 120.318 120.200 0.076 0.000 2.511 322 E HA -0.048 4.302 4.350 0.001 0.000 0.196 322 E C 1.725 178.333 176.600 0.013 0.000 1.066 322 E CA 0.713 57.151 56.400 0.064 0.000 0.871 322 E CB -0.099 29.654 29.700 0.089 0.000 0.863 322 E HN 0.561 nan 8.360 nan 0.000 0.520 323 L N 0.435 121.628 121.223 -0.049 0.000 2.609 323 L HA 0.133 4.474 4.340 0.001 0.000 0.230 323 L C 1.887 178.681 176.870 -0.126 0.000 1.087 323 L CA 0.992 55.780 54.840 -0.087 0.000 0.874 323 L CB 0.580 42.570 42.059 -0.114 0.000 1.114 323 L HN 0.302 nan 8.230 nan 0.000 0.488 324 T N -5.596 108.866 114.554 -0.154 0.000 2.954 324 T HA 0.193 4.543 4.350 0.001 0.000 0.252 324 T C 1.383 176.183 174.700 0.167 0.000 0.983 324 T CA 0.514 62.588 62.100 -0.044 0.000 0.941 324 T CB 0.705 69.426 68.868 -0.244 0.000 1.141 324 T HN 0.187 nan 8.240 nan 0.000 0.500 325 G N 2.186 111.038 108.800 0.087 0.000 2.305 325 G HA2 -0.207 3.753 3.960 0.001 0.000 0.287 325 G HA3 -0.207 3.753 3.960 0.001 0.000 0.287 325 G C -0.070 174.941 174.900 0.185 0.000 1.036 325 G CA 0.335 45.523 45.100 0.148 0.000 0.887 325 G HN 0.729 nan 8.290 nan 0.000 0.505 326 I N 1.593 122.198 120.570 0.058 0.000 2.385 326 I HA 0.299 4.470 4.170 0.001 0.000 0.294 326 I C -1.477 174.616 176.117 -0.039 0.000 0.988 326 I CA -2.538 58.740 61.300 -0.036 0.000 1.265 326 I CB 1.616 39.550 38.000 -0.111 0.000 1.388 326 I HN -0.040 nan 8.210 nan 0.000 0.480 327 P HA 0.062 nan 4.420 nan 0.000 0.271 327 P C -0.702 176.556 177.300 -0.070 0.000 1.216 327 P CA -0.054 63.026 63.100 -0.034 0.000 0.771 327 P CB 1.055 32.737 31.700 -0.030 0.000 0.864 328 V N 3.248 123.099 119.914 -0.105 0.000 2.350 328 V HA 0.517 4.637 4.120 0.001 0.000 0.276 328 V C 0.683 176.765 176.094 -0.020 0.000 1.028 328 V CA -0.595 61.636 62.300 -0.115 0.000 0.860 328 V CB 0.790 32.454 31.823 -0.265 0.000 0.990 328 V HN 0.728 nan 8.190 nan 0.000 0.453 329 A N 3.929 126.745 122.820 -0.007 0.000 2.324 329 A HA 0.864 5.185 4.320 0.001 0.000 0.330 329 A C -0.062 177.563 177.584 0.069 0.000 1.165 329 A CA -0.420 51.629 52.037 0.020 0.000 0.813 329 A CB 1.663 20.655 19.000 -0.014 0.000 1.197 329 A HN 0.791 nan 8.150 nan 0.000 0.484 330 S N 0.363 116.110 115.700 0.078 0.000 2.568 330 S HA 0.763 5.233 4.470 0.001 0.000 0.293 330 S C 0.228 174.884 174.600 0.093 0.000 1.089 330 S CA 0.143 58.403 58.200 0.099 0.000 0.945 330 S CB 1.317 64.570 63.200 0.089 0.000 1.077 330 S HN 1.403 nan 8.310 nan 0.000 0.485 331 T N 1.372 115.991 114.554 0.108 0.000 2.824 331 T HA 0.379 4.729 4.350 0.001 0.000 0.277 331 T C 1.432 176.173 174.700 0.068 0.000 0.975 331 T CA -0.708 61.450 62.100 0.097 0.000 0.966 331 T CB 0.394 69.324 68.868 0.103 0.000 1.054 331 T HN 0.599 nan 8.240 nan 0.000 0.533 332 L N -0.086 121.187 121.223 0.083 0.000 2.141 332 L HA -0.043 4.297 4.340 0.001 0.000 0.209 332 L C 2.318 179.334 176.870 0.244 0.000 1.094 332 L CA 1.080 56.003 54.840 0.139 0.000 0.763 332 L CB -0.273 41.889 42.059 0.171 0.000 0.908 332 L HN 0.630 nan 8.230 nan 0.000 0.437 333 M N -1.494 118.198 119.600 0.153 0.000 2.447 333 M HA 0.043 4.523 4.480 0.001 0.000 0.264 333 M C 2.023 178.401 176.300 0.131 0.000 1.095 333 M CA 1.101 56.486 55.300 0.142 0.000 1.125 333 M CB -1.238 31.396 32.600 0.057 0.000 1.389 333 M HN 0.259 nan 8.290 nan 0.000 0.459 334 G N 0.013 108.869 108.800 0.092 0.000 2.939 334 G HA2 0.193 4.153 3.960 0.001 0.000 0.210 334 G HA3 0.193 4.153 3.960 0.001 0.000 0.210 334 G C 0.717 175.658 174.900 0.068 0.000 1.160 334 G CA -0.371 44.775 45.100 0.076 0.000 0.770 334 G HN 0.297 nan 8.290 nan 0.000 0.543 335 L N 0.785 122.013 121.223 0.008 0.000 2.678 335 L HA 0.162 4.503 4.340 0.001 0.000 0.285 335 L C 1.674 178.541 176.870 -0.006 0.000 1.233 335 L CA 1.267 56.051 54.840 -0.093 0.000 0.920 335 L CB 0.048 41.786 42.059 -0.535 0.000 1.176 335 L HN 0.370 nan 8.230 nan 0.000 0.495 336 G N 1.643 110.506 108.800 0.104 0.000 2.234 336 G HA2 -0.311 3.650 3.960 0.001 0.000 0.235 336 G HA3 -0.311 3.650 3.960 0.001 0.000 0.235 336 G C 1.031 176.018 174.900 0.145 0.000 0.997 336 G CA 0.380 45.577 45.100 0.161 0.000 0.623 336 G HN 0.591 nan 8.290 nan 0.000 0.514 337 S N -0.956 114.831 115.700 0.145 0.000 2.383 337 S HA 0.057 4.527 4.470 0.001 0.000 0.229 337 S C 0.656 175.393 174.600 0.229 0.000 1.030 337 S CA 1.518 59.814 58.200 0.159 0.000 1.002 337 S CB -0.033 63.252 63.200 0.143 0.000 0.829 337 S HN 0.772 nan 8.310 nan 0.000 0.467 338 Y N 2.765 123.116 120.300 0.085 0.000 2.361 338 Y HA 0.406 4.956 4.550 0.001 0.000 0.337 338 Y C -2.446 173.508 175.900 0.091 0.000 0.965 338 Y CA -3.169 54.981 58.100 0.083 0.000 1.091 338 Y CB 1.030 39.532 38.460 0.071 0.000 1.182 338 Y HN -0.018 nan 8.280 nan 0.000 0.450 342 D N 1.518 121.884 120.400 -0.057 0.000 2.423 342 D HA -0.032 4.609 4.640 0.001 0.000 0.238 342 D C 1.219 177.528 176.300 0.015 0.000 1.142 342 D CA 0.545 54.511 54.000 -0.056 0.000 0.884 342 D CB 1.176 41.861 40.800 -0.192 0.000 1.199 342 D HN 0.487 nan 8.370 nan 0.000 0.438 343 E N 2.511 122.728 120.200 0.029 0.000 2.268 343 E HA -0.136 4.214 4.350 0.001 0.000 0.195 343 E C 1.745 178.363 176.600 0.030 0.000 0.995 343 E CA 0.587 56.998 56.400 0.018 0.000 0.836 343 E CB -0.105 29.602 29.700 0.012 0.000 0.763 343 E HN 0.477 nan 8.360 nan 0.000 0.491 344 L N 1.236 122.527 121.223 0.114 0.000 2.554 344 L HA 0.091 4.431 4.340 0.001 0.000 0.226 344 L C 1.129 178.075 176.870 0.126 0.000 1.137 344 L CA -0.179 54.737 54.840 0.127 0.000 0.863 344 L CB 0.313 42.489 42.059 0.194 0.000 0.985 344 L HN 0.049 nan 8.230 nan 0.000 0.451 345 S N 0.016 115.798 115.700 0.135 0.000 2.505 345 S HA 0.203 4.674 4.470 0.001 0.000 0.276 345 S C 0.796 175.259 174.600 -0.229 0.000 1.274 345 S CA -0.464 57.752 58.200 0.027 0.000 1.053 345 S CB 0.716 63.910 63.200 -0.011 0.000 0.919 345 S HN 0.235 nan 8.310 nan 0.000 0.490 346 L N 4.557 125.709 121.223 -0.118 0.000 2.607 346 L HA 0.304 4.645 4.340 0.001 0.000 0.228 346 L C 0.558 177.418 176.870 -0.017 0.000 1.123 346 L CA -0.117 54.731 54.840 0.013 0.000 0.890 346 L CB -0.763 41.333 42.059 0.062 0.000 1.103 346 L HN 0.925 nan 8.230 nan 0.000 0.468 347 H N -2.328 116.827 119.070 0.142 0.000 1.452 347 H HA -0.289 4.268 4.556 0.001 0.000 0.090 347 H C 0.278 175.604 175.328 -0.003 0.000 2.464 347 H CA 0.752 56.837 56.048 0.062 0.000 1.901 347 H CB -0.713 29.075 29.762 0.043 0.000 2.257 347 H HN 0.107 nan 8.280 nan 0.000 0.961 348 M N 2.072 121.742 119.600 0.116 0.000 2.233 348 M HA 0.380 4.861 4.480 0.001 0.000 0.350 348 M C -0.142 176.151 176.300 -0.012 0.000 1.176 348 M CA -0.255 55.064 55.300 0.031 0.000 1.150 348 M CB 0.259 32.864 32.600 0.007 0.000 1.530 348 M HN 0.420 nan 8.290 nan 0.000 0.459 349 L N 2.757 123.972 121.223 -0.012 0.000 2.298 349 L HA 1.105 5.445 4.340 0.001 0.000 0.268 349 L C -0.022 176.836 176.870 -0.021 0.000 1.010 349 L CA -0.218 54.599 54.840 -0.038 0.000 0.812 349 L CB 1.457 43.470 42.059 -0.077 0.000 1.331 349 L HN 0.833 nan 8.230 nan 0.000 0.450 350 G N -0.079 108.709 108.800 -0.020 0.000 2.483 350 G HA2 -0.230 3.731 3.960 0.001 0.000 0.521 350 G HA3 -0.230 3.731 3.960 0.001 0.000 0.521 350 G C 0.046 174.933 174.900 -0.022 0.000 1.278 350 G CA 0.049 45.132 45.100 -0.027 0.000 0.965 350 G HN 1.094 nan 8.290 nan 0.000 0.504 351 M N -0.825 118.733 119.600 -0.071 0.000 2.103 351 M HA -0.162 4.318 4.480 0.001 0.000 0.255 351 M C 1.441 177.586 176.300 -0.259 0.000 1.074 351 M CA 2.524 57.715 55.300 -0.180 0.000 1.090 351 M CB -0.238 32.208 32.600 -0.257 0.000 1.325 351 M HN 0.585 nan 8.290 nan 0.000 0.403 352 H N -0.395 118.707 119.070 0.053 0.000 2.469 352 H HA 0.378 4.934 4.556 0.001 0.000 0.286 352 H C 0.343 175.688 175.328 0.028 0.000 1.106 352 H CA 0.269 56.349 56.048 0.052 0.000 1.055 352 H CB -0.580 29.209 29.762 0.044 0.000 1.618 352 H HN 0.416 nan 8.280 nan 0.000 0.559 353 G N 0.817 109.668 108.800 0.085 0.000 2.562 353 G HA2 0.232 4.192 3.960 0.001 0.000 0.275 353 G HA3 0.232 4.192 3.960 0.001 0.000 0.275 353 G C 0.327 175.217 174.900 -0.018 0.000 1.196 353 G CA -0.392 44.720 45.100 0.020 0.000 0.908 353 G HN 0.245 nan 8.290 nan 0.000 0.524 354 T N -1.709 112.754 114.554 -0.152 0.000 2.932 354 T HA 0.078 4.428 4.350 0.001 0.000 0.312 354 T C 1.552 176.108 174.700 -0.240 0.000 1.071 354 T CA -0.248 61.653 62.100 -0.332 0.000 1.128 354 T CB 1.274 69.546 68.868 -0.995 0.000 0.984 354 T HN 0.212 nan 8.240 nan 0.000 0.549 355 V N 2.890 122.771 119.914 -0.055 0.000 2.392 355 V HA -0.180 3.940 4.120 0.001 0.000 0.249 355 V C 2.191 178.401 176.094 0.192 0.000 1.059 355 V CA 2.149 64.552 62.300 0.172 0.000 1.051 355 V CB -1.378 30.576 31.823 0.219 0.000 0.658 355 V HN 1.059 nan 8.190 nan 0.000 0.455 356 Y N 0.388 120.773 120.300 0.141 0.000 2.373 356 Y HA 0.204 4.755 4.550 0.001 0.000 0.293 356 Y C 2.362 178.299 175.900 0.061 0.000 1.129 356 Y CA 0.852 58.992 58.100 0.066 0.000 1.226 356 Y CB -1.076 37.388 38.460 0.007 0.000 1.000 356 Y HN 0.077 nan 8.280 nan 0.000 0.549 357 A N 1.641 124.348 122.820 -0.189 0.000 1.872 357 A HA -0.165 4.156 4.320 0.001 0.000 0.214 357 A C 1.973 179.498 177.584 -0.098 0.000 1.187 357 A CA 1.653 53.625 52.037 -0.108 0.000 0.614 357 A CB -0.738 18.162 19.000 -0.166 0.000 0.826 357 A HN 0.504 nan 8.150 nan 0.000 0.442 358 N N -1.575 117.073 118.700 -0.087 0.000 2.381 358 N HA -0.121 4.619 4.740 0.001 0.000 0.182 358 N C 1.431 176.605 175.510 -0.560 0.000 1.025 358 N CA 1.292 54.249 53.050 -0.154 0.000 0.888 358 N CB -0.458 38.097 38.487 0.113 0.000 0.965 358 N HN 0.701 nan 8.380 nan 0.000 0.438 359 Y N 1.808 121.733 120.300 -0.626 0.000 2.130 359 Y HA -0.063 4.487 4.550 0.001 0.000 0.287 359 Y C 2.380 178.065 175.900 -0.358 0.000 1.124 359 Y CA 1.686 59.308 58.100 -0.798 0.000 1.118 359 Y CB -0.570 37.731 38.460 -0.266 0.000 0.994 359 Y HN 0.042 nan 8.280 nan 0.000 0.497 360 A N -0.201 122.616 122.820 -0.005 0.000 1.903 360 A HA -0.267 4.053 4.320 0.001 0.000 0.219 360 A C 2.316 179.904 177.584 0.007 0.000 1.191 360 A CA 2.701 54.803 52.037 0.108 0.000 0.638 360 A CB -1.517 17.532 19.000 0.082 0.000 0.823 360 A HN 0.391 nan 8.150 nan 0.000 0.451 361 V N -0.232 119.555 119.914 -0.212 0.000 2.307 361 V HA -0.239 3.881 4.120 0.001 0.000 0.245 361 V C 2.565 178.363 176.094 -0.493 0.000 1.045 361 V CA 2.420 64.503 62.300 -0.362 0.000 1.024 361 V CB -0.775 30.778 31.823 -0.451 0.000 0.651 361 V HN 0.772 nan 8.190 nan 0.000 0.449 362 E N -0.029 119.798 120.200 -0.622 0.000 2.130 362 E HA -0.239 4.112 4.350 0.001 0.000 0.196 362 E C 1.879 178.020 176.600 -0.765 0.000 0.998 362 E CA 1.666 57.611 56.400 -0.759 0.000 0.806 362 E CB -0.135 28.907 29.700 -1.097 0.000 0.738 362 E HN 0.732 nan 8.360 nan 0.000 0.459 363 H N -0.608 118.213 119.070 -0.415 0.000 2.594 363 H HA 0.253 4.810 4.556 0.001 0.000 0.279 363 H C 0.228 175.370 175.328 -0.310 0.000 1.042 363 H CA 0.571 56.433 56.048 -0.309 0.000 1.177 363 H CB -0.007 29.561 29.762 -0.323 0.000 1.524 363 H HN 0.125 nan 8.280 nan 0.000 0.537 364 S N 1.292 116.846 115.700 -0.243 0.000 2.593 364 S HA 0.039 4.509 4.470 0.001 0.000 0.269 364 S C 0.915 175.293 174.600 -0.370 0.000 1.334 364 S CA -0.171 57.791 58.200 -0.398 0.000 1.015 364 S CB 1.380 64.418 63.200 -0.270 0.000 0.912 364 S HN 0.344 nan 8.310 nan 0.000 0.541 365 D N -0.708 119.445 120.400 -0.413 0.000 2.474 365 D HA 0.246 4.887 4.640 0.001 0.000 0.213 365 D C -0.165 175.973 176.300 -0.269 0.000 1.120 365 D CA -0.211 53.606 54.000 -0.305 0.000 0.836 365 D CB -0.121 40.508 40.800 -0.285 0.000 1.019 365 D HN 0.369 nan 8.370 nan 0.000 0.507 366 L N 0.689 121.746 121.223 -0.277 0.000 2.528 366 L HA 0.474 4.814 4.340 0.001 0.000 0.267 366 L C -2.143 174.621 176.870 -0.175 0.000 0.961 366 L CA -0.975 53.742 54.840 -0.205 0.000 0.866 366 L CB 1.993 43.942 42.059 -0.184 0.000 1.248 366 L HN -0.019 nan 8.230 nan 0.000 0.404 367 L N 5.991 127.148 121.223 -0.110 0.000 2.276 367 L HA 0.535 4.875 4.340 0.001 0.000 0.286 367 L C -1.100 175.763 176.870 -0.013 0.000 1.024 367 L CA -0.101 54.699 54.840 -0.067 0.000 0.826 367 L CB 1.108 43.150 42.059 -0.029 0.000 1.211 367 L HN 0.586 nan 8.230 nan 0.000 0.422 368 L N 6.178 127.321 121.223 -0.134 0.000 2.358 368 L HA 0.440 4.780 4.340 0.001 0.000 0.274 368 L C 0.525 177.098 176.870 -0.495 0.000 1.136 368 L CA -0.412 54.232 54.840 -0.327 0.000 0.970 368 L CB 0.559 42.228 42.059 -0.650 0.000 1.314 368 L HN 0.773 nan 8.230 nan 0.000 0.427 369 A N 4.177 126.965 122.820 -0.054 0.000 2.527 369 A HA 0.508 4.829 4.320 0.001 0.000 0.313 369 A C -0.567 177.146 177.584 0.215 0.000 1.410 369 A CA -0.186 51.780 52.037 -0.118 0.000 1.060 369 A CB -0.432 18.518 19.000 -0.082 0.000 1.137 369 A HN 0.398 nan 8.150 nan 0.000 0.542 370 F N 1.336 121.185 119.950 -0.168 0.000 2.388 370 F HA 0.539 5.067 4.527 0.001 0.000 0.358 370 F C 1.226 176.943 175.800 -0.139 0.000 1.122 370 F CA -0.754 57.178 58.000 -0.114 0.000 1.056 370 F CB 0.914 39.828 39.000 -0.144 0.000 1.155 370 F HN 0.832 nan 8.300 nan 0.000 0.461 371 G N 2.128 110.995 108.800 0.112 0.000 2.272 371 G HA2 -0.000 3.960 3.960 0.001 0.000 0.280 371 G HA3 -0.000 3.960 3.960 0.001 0.000 0.280 371 G C -0.539 174.334 174.900 -0.044 0.000 1.067 371 G CA 0.173 45.292 45.100 0.031 0.000 0.902 371 G HN 1.051 nan 8.290 nan 0.000 0.500 372 V N -3.643 116.220 119.914 -0.086 0.000 3.102 372 V HA 0.945 5.065 4.120 0.001 0.000 0.312 372 V C 0.565 176.656 176.094 -0.005 0.000 1.135 372 V CA -0.672 61.481 62.300 -0.245 0.000 1.022 372 V CB 1.930 33.184 31.823 -0.948 0.000 1.056 372 V HN 0.704 nan 8.190 nan 0.000 0.436 373 R N 0.722 121.235 120.500 0.021 0.000 2.629 373 R HA 0.436 4.776 4.340 0.001 0.000 0.386 373 R C -0.705 175.764 176.300 0.282 0.000 1.071 373 R CA -0.405 55.813 56.100 0.197 0.000 1.104 373 R CB -0.313 30.059 30.300 0.121 0.000 1.370 373 R HN 0.645 nan 8.270 nan 0.000 0.574 374 F N 1.782 121.731 119.950 -0.001 0.000 2.829 374 F HA -0.268 4.259 4.527 0.001 0.000 0.237 374 F C 0.275 176.027 175.800 -0.081 0.000 1.017 374 F CA 1.129 59.121 58.000 -0.014 0.000 0.882 374 F CB -1.655 37.316 39.000 -0.049 0.000 0.795 374 F HN 0.403 nan 8.300 nan 0.000 0.848 375 D N 0.960 121.382 120.400 0.036 0.000 2.382 375 D HA 0.152 4.792 4.640 0.001 0.000 0.240 375 D C 1.266 177.525 176.300 -0.069 0.000 1.146 375 D CA 0.384 54.380 54.000 -0.006 0.000 0.897 375 D CB 0.756 41.550 40.800 -0.010 0.000 1.197 375 D HN 0.438 nan 8.370 nan 0.000 0.432 376 D N 0.942 121.311 120.400 -0.053 0.000 2.218 376 D HA -0.194 4.446 4.640 0.001 0.000 0.204 376 D C 1.498 177.751 176.300 -0.080 0.000 0.976 376 D CA 0.679 54.637 54.000 -0.069 0.000 0.853 376 D CB 0.121 40.897 40.800 -0.040 0.000 0.939 376 D HN 0.104 nan 8.370 nan 0.000 0.481 377 R N 0.177 120.638 120.500 -0.065 0.000 2.096 377 R HA -0.023 4.318 4.340 0.001 0.000 0.235 377 R C 2.380 178.629 176.300 -0.085 0.000 1.127 377 R CA 1.153 57.219 56.100 -0.057 0.000 0.968 377 R CB -0.859 29.421 30.300 -0.033 0.000 0.861 377 R HN 0.453 nan 8.270 nan 0.000 0.440 378 V N -0.974 118.860 119.914 -0.133 0.000 3.125 378 V HA 0.027 4.148 4.120 0.001 0.000 0.249 378 V C 1.704 177.590 176.094 -0.346 0.000 1.113 378 V CA 1.688 63.874 62.300 -0.190 0.000 1.106 378 V CB 0.019 31.727 31.823 -0.190 0.000 0.768 378 V HN 0.443 nan 8.190 nan 0.000 0.468 379 T N -2.525 111.729 114.554 -0.501 0.000 3.009 379 T HA 0.388 4.739 4.350 0.001 0.000 0.258 379 T C 1.672 176.250 174.700 -0.203 0.000 1.063 379 T CA 1.404 63.046 62.100 -0.762 0.000 1.139 379 T CB -0.250 68.135 68.868 -0.804 0.000 0.890 379 T HN 1.670 nan 8.240 nan 0.000 0.471 380 G N 2.104 110.834 108.800 -0.117 0.000 2.556 380 G HA2 -0.333 3.628 3.960 0.001 0.000 0.283 380 G HA3 -0.333 3.628 3.960 0.001 0.000 0.283 380 G C -0.185 174.710 174.900 -0.010 0.000 1.177 380 G CA 0.141 45.225 45.100 -0.026 0.000 0.978 380 G HN 0.821 nan 8.290 nan 0.000 0.554 381 K N 1.181 121.599 120.400 0.031 0.000 2.336 381 K HA 0.446 4.766 4.320 0.001 0.000 0.290 381 K C 1.926 178.567 176.600 0.069 0.000 1.067 381 K CA -0.184 56.125 56.287 0.037 0.000 0.962 381 K CB 0.056 32.580 32.500 0.040 0.000 1.008 381 K HN 0.435 nan 8.250 nan 0.000 0.467 382 L N 3.440 124.693 121.223 0.050 0.000 2.010 382 L HA -0.309 4.031 4.340 0.001 0.000 0.219 382 L C 1.670 178.615 176.870 0.124 0.000 1.077 382 L CA 1.600 56.492 54.840 0.087 0.000 0.773 382 L CB -0.298 41.786 42.059 0.043 0.000 0.892 382 L HN 0.700 nan 8.230 nan 0.000 0.436 383 E N -0.110 120.135 120.200 0.075 0.000 2.171 383 E HA -0.216 4.134 4.350 0.001 0.000 0.197 383 E C 2.034 178.675 176.600 0.068 0.000 0.997 383 E CA 1.389 57.826 56.400 0.061 0.000 0.810 383 E CB -0.324 29.398 29.700 0.036 0.000 0.738 383 E HN 0.537 nan 8.360 nan 0.000 0.467 384 A N 0.006 122.876 122.820 0.084 0.000 2.132 384 A HA 0.086 4.407 4.320 0.001 0.000 0.213 384 A C 0.537 178.170 177.584 0.082 0.000 1.154 384 A CA -0.372 51.705 52.037 0.066 0.000 0.753 384 A CB -0.249 18.789 19.000 0.064 0.000 0.826 384 A HN 0.240 nan 8.150 nan 0.000 0.469 385 F N 1.304 121.242 119.950 -0.021 0.000 2.541 385 F HA 0.376 4.903 4.527 0.001 0.000 0.378 385 F C 1.167 176.944 175.800 -0.037 0.000 1.068 385 F CA -0.289 57.689 58.000 -0.037 0.000 1.199 385 F CB 0.234 39.236 39.000 0.003 0.000 1.091 385 F HN 0.453 nan 8.300 nan 0.000 0.555 386 A N 3.705 126.085 122.820 -0.734 0.000 2.665 386 A HA -0.314 4.007 4.320 0.001 0.000 0.301 386 A C 1.776 179.210 177.584 -0.249 0.000 1.509 386 A CA 1.119 52.809 52.037 -0.578 0.000 0.789 386 A CB -2.315 16.260 19.000 -0.709 0.000 1.024 386 A HN 1.353 nan 8.150 nan 0.000 0.460 387 S N -1.223 114.374 115.700 -0.172 0.000 2.400 387 S HA -0.009 4.461 4.470 0.001 0.000 0.232 387 S C 1.457 176.014 174.600 -0.073 0.000 1.025 387 S CA 1.632 59.786 58.200 -0.076 0.000 0.993 387 S CB -0.427 62.740 63.200 -0.055 0.000 0.808 387 S HN 2.067 nan 8.310 nan 0.000 0.478 388 R N 0.723 121.151 120.500 -0.120 0.000 3.585 388 R HA 0.832 5.173 4.340 0.001 0.000 0.324 388 R C 0.044 176.255 176.300 -0.148 0.000 1.372 388 R CA 0.070 56.106 56.100 -0.106 0.000 1.291 388 R CB -0.915 29.329 30.300 -0.094 0.000 1.470 388 R HN 0.943 nan 8.270 nan 0.000 0.633 389 A N 0.369 123.099 122.820 -0.151 0.000 2.605 389 A HA 0.602 4.922 4.320 0.001 0.000 0.294 389 A C -1.227 176.182 177.584 -0.292 0.000 1.062 389 A CA -0.912 50.996 52.037 -0.215 0.000 0.682 389 A CB 1.052 nan 19.000 nan 0.000 1.278 389 A HN 0.361 nan 8.150 nan 0.000 0.410 390 K N 1.399 121.540 120.400 -0.431 0.000 2.349 390 K HA 0.423 4.743 4.320 0.001 0.000 0.288 390 K C -0.869 175.593 176.600 -0.230 0.000 1.058 390 K CA 0.340 56.191 56.287 -0.726 0.000 0.953 390 K CB 0.492 32.684 32.500 -0.513 0.000 0.997 390 K HN 0.521 nan 8.250 nan 0.000 0.477 391 I N 3.526 124.124 120.570 0.046 0.000 2.315 391 I HA 0.136 4.307 4.170 0.001 0.000 0.291 391 I C -0.274 175.989 176.117 0.243 0.000 1.006 391 I CA -0.967 60.451 61.300 0.198 0.000 1.265 391 I CB 1.432 39.603 38.000 0.285 0.000 1.387 391 I HN 0.177 nan 8.210 nan 0.000 0.475 392 V N 6.289 126.344 119.914 0.235 0.000 2.347 392 V HA 0.262 4.382 4.120 0.001 0.000 0.280 392 V C -0.272 176.058 176.094 0.393 0.000 1.021 392 V CA -0.507 61.960 62.300 0.279 0.000 0.847 392 V CB 1.110 33.098 31.823 0.275 0.000 0.990 392 V HN 0.665 nan 8.190 nan 0.000 0.444 393 H N 5.547 124.754 119.070 0.228 0.000 2.539 393 H HA 0.600 5.156 4.556 0.001 0.000 0.332 393 H C -1.042 174.363 175.328 0.128 0.000 1.031 393 H CA -0.935 55.257 56.048 0.239 0.000 1.206 393 H CB 1.357 31.247 29.762 0.214 0.000 1.446 393 H HN 0.563 nan 8.280 nan 0.000 0.496 394 I N 5.714 126.440 120.570 0.261 0.000 2.359 394 I HA 0.166 4.337 4.170 0.001 0.000 0.284 394 I C -0.627 175.431 176.117 -0.099 0.000 1.018 394 I CA -0.238 61.027 61.300 -0.058 0.000 1.173 394 I CB 1.138 38.987 38.000 -0.252 0.000 1.326 394 I HN 0.570 nan 8.210 nan 0.000 0.462 395 D N 4.677 124.928 120.400 -0.248 0.000 2.671 395 D HA 0.253 4.893 4.640 0.001 0.000 0.232 395 D C 0.268 176.474 176.300 -0.157 0.000 1.114 395 D CA -0.518 53.367 54.000 -0.192 0.000 0.858 395 D CB 3.114 43.736 40.800 -0.297 0.000 1.544 395 D HN 0.355 nan 8.370 nan 0.000 0.471 396 I N 1.553 122.062 120.570 -0.102 0.000 3.428 396 I HA 0.009 4.179 4.170 0.001 0.000 0.286 396 I C 0.050 176.115 176.117 -0.087 0.000 1.287 396 I CA 0.669 61.914 61.300 -0.092 0.000 1.396 396 I CB 0.026 37.987 38.000 -0.066 0.000 1.062 396 I HN 0.183 nan 8.210 nan 0.000 0.471 397 D N -0.908 119.443 120.400 -0.082 0.000 2.461 397 D HA 0.150 4.790 4.640 0.001 0.000 0.240 397 D C 1.324 177.573 176.300 -0.084 0.000 1.094 397 D CA 0.317 54.278 54.000 -0.064 0.000 0.868 397 D CB 1.277 42.060 40.800 -0.028 0.000 1.062 397 D HN 0.214 nan 8.370 nan 0.000 0.530 398 S N 2.698 118.344 115.700 -0.090 0.000 2.402 398 S HA -0.232 4.238 4.470 0.001 0.000 0.233 398 S C 2.002 176.562 174.600 -0.067 0.000 1.030 398 S CA 0.994 59.138 58.200 -0.093 0.000 1.003 398 S CB -0.243 62.907 63.200 -0.083 0.000 0.813 398 S HN 0.431 nan 8.310 nan 0.000 0.477 399 A N 1.404 124.197 122.820 -0.045 0.000 2.070 399 A HA -0.061 4.259 4.320 0.001 0.000 0.220 399 A C 2.216 179.794 177.584 -0.012 0.000 1.159 399 A CA 1.372 53.394 52.037 -0.025 0.000 0.656 399 A CB -0.376 18.616 19.000 -0.012 0.000 0.800 399 A HN 0.500 nan 8.150 nan 0.000 0.453 400 E N -0.198 119.996 120.200 -0.011 0.000 2.190 400 E HA 0.088 4.438 4.350 0.001 0.000 0.191 400 E C 0.458 177.093 176.600 0.059 0.000 0.978 400 E CA 0.107 56.533 56.400 0.045 0.000 0.839 400 E CB -0.209 29.540 29.700 0.080 0.000 0.787 400 E HN 0.664 nan 8.360 nan 0.000 0.473 401 I N 1.443 121.972 120.570 -0.069 0.000 2.576 401 I HA 0.023 4.193 4.170 0.001 0.000 0.288 401 I C 1.183 177.290 176.117 -0.017 0.000 1.126 401 I CA 0.746 61.995 61.300 -0.085 0.000 1.362 401 I CB -0.167 37.718 38.000 -0.191 0.000 1.419 401 I HN 0.201 nan 8.210 nan 0.000 0.533 402 G N 4.898 113.702 108.800 0.006 0.000 2.157 402 G HA2 -0.297 3.664 3.960 0.001 0.000 0.239 402 G HA3 -0.297 3.664 3.960 0.001 0.000 0.239 402 G C 1.043 175.908 174.900 -0.059 0.000 0.982 402 G CA 0.330 45.398 45.100 -0.053 0.000 0.650 402 G HN 0.681 nan 8.290 nan 0.000 0.527 403 K N -0.117 120.260 120.400 -0.038 0.000 2.025 403 K HA -0.030 4.290 4.320 0.001 0.000 0.207 403 K C 1.994 178.567 176.600 -0.046 0.000 1.049 403 K CA 1.653 57.924 56.287 -0.027 0.000 0.933 403 K CB -0.133 32.372 32.500 0.008 0.000 0.714 403 K HN 0.385 nan 8.250 nan 0.000 0.438 404 N N -0.714 117.935 118.700 -0.086 0.000 2.382 404 N HA 0.043 4.783 4.740 0.001 0.000 0.200 404 N C -0.426 175.001 175.510 -0.138 0.000 1.122 404 N CA 0.200 53.202 53.050 -0.081 0.000 0.870 404 N CB 0.934 39.404 38.487 -0.028 0.000 1.176 404 N HN -0.070 nan 8.380 nan 0.000 0.474 405 K N 1.089 121.307 120.400 -0.304 0.000 2.427 405 K HA 0.382 4.702 4.320 0.001 0.000 0.252 405 K C -1.007 175.435 176.600 -0.264 0.000 0.931 405 K CA -0.225 55.872 56.287 -0.316 0.000 0.793 405 K CB 2.279 34.434 32.500 -0.575 0.000 1.211 405 K HN -0.189 nan 8.250 nan 0.000 0.426 406 T N 5.065 119.534 114.554 -0.142 0.000 2.727 406 T HA 0.325 4.675 4.350 0.001 0.000 0.298 406 T C -2.185 172.463 174.700 -0.087 0.000 0.942 406 T CA -1.233 60.801 62.100 -0.110 0.000 0.997 406 T CB 0.902 69.708 68.868 -0.104 0.000 0.917 406 T HN 0.220 nan 8.240 nan 0.000 0.487 407 P HA 0.282 nan 4.420 nan 0.000 0.273 407 P C 0.239 177.555 177.300 0.027 0.000 1.250 407 P CA -0.429 62.722 63.100 0.085 0.000 0.793 407 P CB 0.667 32.452 31.700 0.143 0.000 1.011 408 H N -1.986 117.116 119.070 0.052 0.000 2.648 408 H HA 0.358 4.914 4.556 0.001 0.000 0.265 408 H C -0.111 175.252 175.328 0.058 0.000 0.961 408 H CA 0.320 56.393 56.048 0.042 0.000 1.185 408 H CB 0.453 30.236 29.762 0.035 0.000 1.449 408 H HN -0.050 nan 8.280 nan 0.000 0.523 409 V N 0.297 120.330 119.914 0.199 0.000 3.000 409 V HA 0.453 4.574 4.120 0.001 0.000 0.300 409 V C -1.054 175.128 176.094 0.148 0.000 1.251 409 V CA -0.789 61.608 62.300 0.162 0.000 0.972 409 V CB 2.258 34.181 31.823 0.168 0.000 1.065 409 V HN 0.316 nan 8.190 nan 0.000 0.431 410 S N 2.349 118.108 115.700 0.098 0.000 2.556 410 S HA 0.898 5.368 4.470 0.001 0.000 0.271 410 S C -1.575 172.979 174.600 -0.077 0.000 1.135 410 S CA -0.751 57.470 58.200 0.034 0.000 0.858 410 S CB 2.189 65.387 63.200 -0.003 0.000 1.114 410 S HN 0.709 nan 8.310 nan 0.000 0.468 411 V N 1.484 121.319 119.914 -0.131 0.000 2.488 411 V HA 0.411 4.532 4.120 0.001 0.000 0.293 411 V C -0.352 175.609 176.094 -0.222 0.000 1.027 411 V CA -0.816 61.345 62.300 -0.230 0.000 0.862 411 V CB 1.137 32.844 31.823 -0.194 0.000 1.008 411 V HN 1.177 nan 8.190 nan 0.000 0.428 412 C N 5.624 124.787 119.300 -0.230 0.000 2.289 412 C HA 0.848 5.308 4.460 0.001 0.000 0.340 412 C C 0.840 175.729 174.990 -0.168 0.000 1.152 412 C CA 0.777 59.680 59.018 -0.191 0.000 1.650 412 C CB -1.648 25.992 27.740 -0.166 0.000 2.203 412 C HN 1.199 nan 8.230 nan 0.000 0.511 413 G N 4.369 113.075 108.800 -0.156 0.000 2.320 413 G HA2 0.275 4.235 3.960 0.001 0.000 0.296 413 G HA3 0.275 4.235 3.960 0.001 0.000 0.296 413 G C -1.697 173.129 174.900 -0.123 0.000 1.306 413 G CA -0.497 44.525 45.100 -0.130 0.000 0.836 413 G HN 0.520 nan 8.290 nan 0.000 0.517 414 D N 0.266 120.606 120.400 -0.101 0.000 2.363 414 D HA 0.153 4.793 4.640 0.001 0.000 0.263 414 D C 1.585 177.813 176.300 -0.121 0.000 1.258 414 D CA 0.207 54.152 54.000 -0.090 0.000 0.907 414 D CB 1.537 42.300 40.800 -0.062 0.000 1.107 414 D HN 0.333 nan 8.370 nan 0.000 0.495 415 V N 5.165 124.997 119.914 -0.137 0.000 2.568 415 V HA -0.224 3.896 4.120 0.001 0.000 0.253 415 V C 2.277 178.268 176.094 -0.172 0.000 1.072 415 V CA 2.225 64.400 62.300 -0.209 0.000 1.084 415 V CB -0.322 31.395 31.823 -0.177 0.000 0.676 415 V HN 0.638 nan 8.190 nan 0.000 0.469 416 K N -0.552 119.792 120.400 -0.093 0.000 2.057 416 K HA -0.151 4.169 4.320 0.001 0.000 0.207 416 K C 2.035 178.602 176.600 -0.056 0.000 1.049 416 K CA 1.981 58.235 56.287 -0.054 0.000 0.931 416 K CB -0.210 32.276 32.500 -0.022 0.000 0.714 416 K HN 0.548 nan 8.250 nan 0.000 0.440 417 L N 0.202 121.387 121.223 -0.064 0.000 2.072 417 L HA -0.069 4.272 4.340 0.001 0.000 0.205 417 L C 2.655 179.482 176.870 -0.072 0.000 1.079 417 L CA 0.955 55.765 54.840 -0.051 0.000 0.752 417 L CB -0.573 41.458 42.059 -0.046 0.000 0.906 417 L HN 0.256 nan 8.230 nan 0.000 0.436 418 A N 0.541 123.282 122.820 -0.132 0.000 1.908 418 A HA -0.192 4.128 4.320 0.001 0.000 0.218 418 A C 2.271 179.759 177.584 -0.159 0.000 1.181 418 A CA 1.586 53.518 52.037 -0.174 0.000 0.627 418 A CB -0.743 18.073 19.000 -0.307 0.000 0.818 418 A HN 0.344 nan 8.150 nan 0.000 0.445 419 L N -0.905 120.205 121.223 -0.188 0.000 2.017 419 L HA -0.265 4.076 4.340 0.001 0.000 0.208 419 L C 2.939 179.835 176.870 0.044 0.000 1.073 419 L CA 1.712 56.487 54.840 -0.107 0.000 0.745 419 L CB -0.673 41.323 42.059 -0.105 0.000 0.894 419 L HN 0.482 nan 8.230 nan 0.000 0.432 420 Q N -0.276 119.538 119.800 0.023 0.000 2.096 420 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 420 Q C 2.297 178.331 176.000 0.056 0.000 0.982 420 Q CA 1.526 57.358 55.803 0.050 0.000 0.850 420 Q CB -0.483 28.273 28.738 0.029 0.000 0.901 420 Q HN 0.638 nan 8.270 nan 0.000 0.422 421 G N 0.907 109.727 108.800 0.034 0.000 2.414 421 G HA2 -0.230 3.730 3.960 0.001 0.000 0.215 421 G HA3 -0.230 3.730 3.960 0.001 0.000 0.215 421 G C 1.410 176.356 174.900 0.076 0.000 1.188 421 G CA 0.704 45.829 45.100 0.041 0.000 0.783 421 G HN 0.170 nan 8.290 nan 0.000 0.537 422 M N 0.686 120.350 119.600 0.106 0.000 2.213 422 M HA -0.051 4.429 4.480 0.001 0.000 0.263 422 M C 2.297 178.723 176.300 0.210 0.000 1.062 422 M CA 0.856 56.271 55.300 0.192 0.000 1.105 422 M CB -0.361 32.432 32.600 0.322 0.000 1.385 422 M HN 0.134 nan 8.290 nan 0.000 0.417 423 N N 0.912 119.736 118.700 0.208 0.000 2.106 423 N HA -0.104 4.637 4.740 0.001 0.000 0.188 423 N C 1.514 177.080 175.510 0.093 0.000 1.029 423 N CA 1.211 54.359 53.050 0.164 0.000 0.848 423 N CB -0.264 38.321 38.487 0.164 0.000 1.007 423 N HN 0.374 nan 8.380 nan 0.000 0.423 424 K N 0.489 120.937 120.400 0.079 0.000 2.032 424 K HA -0.069 4.251 4.320 0.001 0.000 0.209 424 K C 2.009 178.639 176.600 0.049 0.000 1.048 424 K CA 1.015 57.335 56.287 0.055 0.000 0.927 424 K CB -0.352 32.177 32.500 0.047 0.000 0.712 424 K HN -0.030 nan 8.250 nan 0.000 0.441 425 V N 2.060 122.008 119.914 0.058 0.000 2.287 425 V HA -0.254 3.866 4.120 0.001 0.000 0.248 425 V C 2.282 178.400 176.094 0.040 0.000 1.053 425 V CA 1.693 64.023 62.300 0.050 0.000 1.027 425 V CB -0.458 31.403 31.823 0.063 0.000 0.646 425 V HN 0.281 nan 8.190 nan 0.000 0.447 426 L N -0.461 120.788 121.223 0.043 0.000 2.131 426 L HA -0.183 4.157 4.340 0.001 0.000 0.210 426 L C 2.545 179.418 176.870 0.004 0.000 1.092 426 L CA 1.537 56.383 54.840 0.010 0.000 0.759 426 L CB -0.578 41.465 42.059 -0.027 0.000 0.903 426 L HN 0.414 nan 8.230 nan 0.000 0.435 427 E N -0.198 120.013 120.200 0.018 0.000 2.072 427 E HA -0.153 4.197 4.350 0.001 0.000 0.190 427 E C 1.849 178.456 176.600 0.012 0.000 0.982 427 E CA 0.931 57.340 56.400 0.015 0.000 0.803 427 E CB -0.021 29.694 29.700 0.025 0.000 0.755 427 E HN 0.512 nan 8.360 nan 0.000 0.453 428 N N 1.219 119.929 118.700 0.016 0.000 2.051 428 N HA -0.093 4.647 4.740 0.001 0.000 0.192 428 N C 1.289 176.803 175.510 0.008 0.000 1.049 428 N CA 0.953 54.011 53.050 0.013 0.000 0.845 428 N CB -0.322 38.175 38.487 0.016 0.000 1.031 428 N HN 0.041 nan 8.380 nan 0.000 0.425 429 R N 1.457 121.962 120.500 0.008 0.000 2.386 429 R HA 0.199 4.540 4.340 0.001 0.000 0.216 429 R C 1.556 177.853 176.300 -0.005 0.000 1.119 429 R CA -0.001 56.101 56.100 0.003 0.000 1.158 429 R CB -0.290 30.014 30.300 0.007 0.000 1.057 429 R HN 0.226 nan 8.270 nan 0.000 0.489 430 A N 1.802 124.618 122.820 -0.006 0.000 1.842 430 A HA -0.314 4.006 4.320 0.001 0.000 0.217 430 A C 2.456 180.028 177.584 -0.020 0.000 1.206 430 A CA 2.304 54.332 52.037 -0.015 0.000 0.630 430 A CB -0.883 18.111 19.000 -0.010 0.000 0.839 430 A HN 0.502 nan 8.150 nan 0.000 0.447 431 E N -0.465 119.726 120.200 -0.015 0.000 2.077 431 E HA -0.257 4.093 4.350 0.001 0.000 0.193 431 E C 1.934 178.522 176.600 -0.020 0.000 0.989 431 E CA 1.776 58.166 56.400 -0.018 0.000 0.800 431 E CB -0.851 28.841 29.700 -0.012 0.000 0.746 431 E HN 0.842 nan 8.360 nan 0.000 0.452 432 E N -0.509 119.682 120.200 -0.015 0.000 2.160 432 E HA -0.138 4.212 4.350 0.001 0.000 0.195 432 E C 2.170 178.758 176.600 -0.021 0.000 0.991 432 E CA 1.163 57.554 56.400 -0.014 0.000 0.810 432 E CB -0.117 29.578 29.700 -0.008 0.000 0.742 432 E HN 0.578 nan 8.360 nan 0.000 0.466 433 L N 0.138 121.346 121.223 -0.025 0.000 2.121 433 L HA 0.049 4.390 4.340 0.001 0.000 0.200 433 L C 1.249 178.083 176.870 -0.061 0.000 1.077 433 L CA 0.825 55.644 54.840 -0.036 0.000 0.766 433 L CB -0.372 41.669 42.059 -0.029 0.000 0.931 433 L HN 0.081 nan 8.230 nan 0.000 0.452 434 K N 1.469 121.830 120.400 -0.064 0.000 4.868 434 K HA -0.184 4.137 4.320 0.001 0.000 0.314 434 K C -0.481 176.034 176.600 -0.142 0.000 0.932 434 K CA 0.808 57.045 56.287 -0.084 0.000 0.998 434 K CB -2.981 29.478 32.500 -0.068 0.000 1.704 434 K HN 0.292 nan 8.250 nan 0.000 0.426 435 L N 1.056 122.173 121.223 -0.176 0.000 2.331 435 L HA 0.580 4.920 4.340 0.001 0.000 0.278 435 L C 0.445 177.065 176.870 -0.416 0.000 1.106 435 L CA -0.661 53.971 54.840 -0.346 0.000 0.824 435 L CB 1.511 43.408 42.059 -0.269 0.000 1.142 435 L HN 0.682 nan 8.230 nan 0.000 0.443 436 D N 2.431 122.451 120.400 -0.634 0.000 2.479 436 D HA 0.270 4.911 4.640 0.001 0.000 0.246 436 D C -0.548 175.458 176.300 -0.491 0.000 1.336 436 D CA -0.310 53.440 54.000 -0.416 0.000 0.967 436 D CB 0.749 41.423 40.800 -0.210 0.000 1.275 436 D HN 0.245 nan 8.370 nan 0.000 0.577 437 F N 1.489 121.472 119.950 0.055 0.000 2.708 437 F HA 0.314 4.841 4.527 0.001 0.000 0.300 437 F C 2.107 177.986 175.800 0.132 0.000 1.118 437 F CA -0.606 57.463 58.000 0.114 0.000 1.307 437 F CB 1.075 40.169 39.000 0.157 0.000 0.986 437 F HN 0.508 nan 8.300 nan 0.000 0.522 438 G N 0.521 109.423 108.800 0.170 0.000 2.469 438 G HA2 -0.235 3.726 3.960 0.001 0.000 0.219 438 G HA3 -0.235 3.726 3.960 0.001 0.000 0.219 438 G C 1.704 176.682 174.900 0.130 0.000 1.150 438 G CA 1.355 46.527 45.100 0.120 0.000 0.763 438 G HN 0.251 nan 8.290 nan 0.000 0.561 439 V N -0.050 119.957 119.914 0.155 0.000 2.343 439 V HA -0.148 3.972 4.120 0.001 0.000 0.247 439 V C 2.247 178.485 176.094 0.239 0.000 1.051 439 V CA 1.782 64.176 62.300 0.158 0.000 1.036 439 V CB -0.609 31.301 31.823 0.145 0.000 0.654 439 V HN 0.694 nan 8.190 nan 0.000 0.451 440 W N 1.121 122.479 121.300 0.097 0.000 2.379 440 W HA -0.171 4.489 4.660 0.001 0.000 0.307 440 W C 2.643 179.204 176.519 0.071 0.000 1.200 440 W CA 1.289 58.685 57.345 0.086 0.000 1.297 440 W CB -0.124 29.394 29.460 0.097 0.000 1.140 440 W HN 0.126 nan 8.180 nan 0.000 0.507 441 R N 0.254 120.759 120.500 0.009 0.000 2.127 441 R HA -0.230 4.111 4.340 0.001 0.000 0.238 441 R C 1.926 178.131 176.300 -0.158 0.000 1.134 441 R CA 1.972 57.977 56.100 -0.159 0.000 0.975 441 R CB -0.668 29.628 30.300 -0.006 0.000 0.865 441 R HN 0.215 nan 8.270 nan 0.000 0.447 442 N N 0.749 119.411 118.700 -0.064 0.000 2.142 442 N HA -0.190 4.551 4.740 0.001 0.000 0.186 442 N C 1.643 177.094 175.510 -0.098 0.000 1.023 442 N CA 1.252 54.266 53.050 -0.059 0.000 0.852 442 N CB 0.044 38.528 38.487 -0.006 0.000 0.998 442 N HN 0.203 nan 8.380 nan 0.000 0.424 443 E N -0.136 120.009 120.200 -0.091 0.000 2.160 443 E HA -0.170 4.181 4.350 0.001 0.000 0.195 443 E C 1.680 178.141 176.600 -0.232 0.000 0.991 443 E CA 0.915 57.258 56.400 -0.096 0.000 0.810 443 E CB -0.041 29.674 29.700 0.026 0.000 0.742 443 E HN 0.437 nan 8.360 nan 0.000 0.466 444 L N 0.507 121.505 121.223 -0.374 0.000 2.162 444 L HA -0.076 4.265 4.340 0.001 0.000 0.205 444 L C 2.212 178.923 176.870 -0.264 0.000 1.086 444 L CA 0.394 55.010 54.840 -0.373 0.000 0.778 444 L CB -0.415 41.340 42.059 -0.507 0.000 0.928 444 L HN 0.112 nan 8.230 nan 0.000 0.446 445 N N 0.352 118.919 118.700 -0.222 0.000 2.223 445 N HA -0.143 4.597 4.740 0.001 0.000 0.185 445 N C 1.910 177.323 175.510 -0.162 0.000 1.016 445 N CA 1.714 54.652 53.050 -0.186 0.000 0.863 445 N CB -0.208 38.200 38.487 -0.131 0.000 0.983 445 N HN 0.361 nan 8.380 nan 0.000 0.429 446 V N -0.848 118.982 119.914 -0.139 0.000 2.548 446 V HA -0.070 4.050 4.120 0.001 0.000 0.249 446 V C 2.126 178.166 176.094 -0.091 0.000 1.055 446 V CA 1.228 63.469 62.300 -0.098 0.000 1.065 446 V CB -0.409 31.369 31.823 -0.075 0.000 0.681 446 V HN 0.041 nan 8.190 nan 0.000 0.462 447 Q N 0.966 120.666 119.800 -0.166 0.000 2.119 447 Q HA -0.147 4.193 4.340 0.001 0.000 0.201 447 Q C 2.295 178.283 176.000 -0.020 0.000 0.972 447 Q CA 2.144 57.860 55.803 -0.146 0.000 0.847 447 Q CB -0.337 28.151 28.738 -0.417 0.000 0.903 447 Q HN 0.787 nan 8.270 nan 0.000 0.433 448 K N 0.527 120.791 120.400 -0.228 0.000 2.211 448 K HA -0.138 4.183 4.320 0.001 0.000 0.203 448 K C 1.945 178.391 176.600 -0.256 0.000 1.050 448 K CA 0.901 56.850 56.287 -0.564 0.000 0.945 448 K CB 0.161 32.202 32.500 -0.764 0.000 0.732 448 K HN 0.133 nan 8.250 nan 0.000 0.451 449 Q N 0.131 119.853 119.800 -0.131 0.000 2.163 449 Q HA -0.103 4.237 4.340 0.001 0.000 0.198 449 Q C 2.074 178.053 176.000 -0.034 0.000 0.954 449 Q CA 1.413 57.169 55.803 -0.078 0.000 0.851 449 Q CB 0.125 28.819 28.738 -0.074 0.000 0.928 449 Q HN 0.228 nan 8.270 nan 0.000 0.459 450 K N -0.014 120.403 120.400 0.030 0.000 2.167 450 K HA -0.008 4.312 4.320 0.001 0.000 0.203 450 K C 0.506 177.002 176.600 -0.173 0.000 1.052 450 K CA 0.989 57.261 56.287 -0.025 0.000 0.956 450 K CB 0.006 32.588 32.500 0.137 0.000 0.735 450 K HN 0.233 nan 8.250 nan 0.000 0.451 451 F N 1.338 121.313 119.950 0.041 0.000 2.542 451 F HA 0.287 4.814 4.527 0.001 0.000 0.323 451 F C -2.438 173.493 175.800 0.219 0.000 1.411 451 F CA -3.200 54.872 58.000 0.119 0.000 1.124 451 F CB 1.417 40.506 39.000 0.149 0.000 1.331 451 F HN -0.003 nan 8.300 nan 0.000 0.560 452 P HA 0.216 nan 4.420 nan 0.000 0.278 452 P C -0.117 177.341 177.300 0.263 0.000 1.258 452 P CA -0.402 62.867 63.100 0.281 0.000 0.811 452 P CB 1.801 33.569 31.700 0.113 0.000 1.063 453 L N 1.170 122.545 121.223 0.254 0.000 2.455 453 L HA 0.163 4.504 4.340 0.001 0.000 0.272 453 L C 0.998 178.051 176.870 0.306 0.000 1.174 453 L CA 0.700 55.671 54.840 0.218 0.000 0.869 453 L CB 0.127 42.183 42.059 -0.006 0.000 1.130 453 L HN 0.574 nan 8.230 nan 0.000 0.474 454 S N 2.761 118.676 115.700 0.359 0.000 2.564 454 S HA 0.827 5.297 4.470 0.001 0.000 0.274 454 S C -0.866 173.944 174.600 0.351 0.000 1.124 454 S CA -0.867 57.493 58.200 0.267 0.000 0.869 454 S CB 2.112 65.355 63.200 0.071 0.000 1.105 454 S HN 0.440 nan 8.310 nan 0.000 0.472 455 F N -0.918 119.082 119.950 0.084 0.000 2.613 455 F HA 0.811 5.338 4.527 0.001 0.000 0.310 455 F C -0.794 174.963 175.800 -0.072 0.000 1.085 455 F CA -1.090 56.900 58.000 -0.016 0.000 0.945 455 F CB 1.572 40.459 39.000 -0.188 0.000 1.298 455 F HN 0.752 nan 8.300 nan 0.000 0.455 456 K N 0.976 121.402 120.400 0.043 0.000 2.138 456 K HA 0.610 4.930 4.320 0.001 0.000 0.263 456 K C -1.163 175.335 176.600 -0.169 0.000 0.965 456 K CA -0.571 55.594 56.287 -0.202 0.000 0.868 456 K CB 1.787 34.124 32.500 -0.272 0.000 1.083 456 K HN 0.878 nan 8.250 nan 0.000 0.443 457 T N 4.185 118.528 114.554 -0.351 0.000 2.758 457 T HA 0.387 4.737 4.350 0.001 0.000 0.285 457 T C -0.968 173.490 174.700 -0.404 0.000 0.981 457 T CA -0.383 61.585 62.100 -0.220 0.000 0.965 457 T CB 0.040 68.798 68.868 -0.184 0.000 0.927 457 T HN 0.262 nan 8.240 nan 0.000 0.448 458 F N 2.666 122.578 119.950 -0.064 0.000 2.385 458 F HA 0.544 5.071 4.527 0.001 0.000 0.360 458 F C 1.456 177.221 175.800 -0.057 0.000 1.122 458 F CA -0.288 57.677 58.000 -0.060 0.000 1.090 458 F CB 0.673 39.641 39.000 -0.055 0.000 1.150 458 F HN 0.873 nan 8.300 nan 0.000 0.472 459 G N 2.893 111.730 108.800 0.061 0.000 2.660 459 G HA2 -0.333 3.628 3.960 0.001 0.000 0.321 459 G HA3 -0.333 3.628 3.960 0.001 0.000 0.321 459 G C 0.943 175.845 174.900 0.003 0.000 1.246 459 G CA 0.606 45.723 45.100 0.028 0.000 1.000 459 G HN 0.521 nan 8.290 nan 0.000 0.550 460 E N 1.654 121.862 120.200 0.014 0.000 2.501 460 E HA 0.506 4.857 4.350 0.001 0.000 0.201 460 E C 1.344 177.949 176.600 0.008 0.000 1.016 460 E CA 0.596 56.994 56.400 -0.003 0.000 0.920 460 E CB 0.324 30.024 29.700 -0.000 0.000 1.023 460 E HN 0.861 nan 8.360 nan 0.000 0.474 461 A N 1.178 124.019 122.820 0.034 0.000 2.498 461 A HA 0.211 4.532 4.320 0.001 0.000 0.239 461 A C 0.418 178.015 177.584 0.021 0.000 1.068 461 A CA -0.085 51.975 52.037 0.039 0.000 0.766 461 A CB -0.000 19.037 19.000 0.062 0.000 1.003 461 A HN 0.167 nan 8.150 nan 0.000 0.497 462 I N 3.475 124.054 120.570 0.015 0.000 2.396 462 I HA 0.203 4.373 4.170 0.001 0.000 0.289 462 I C -2.147 173.953 176.117 -0.029 0.000 1.056 462 I CA -1.595 59.707 61.300 0.003 0.000 1.365 462 I CB 1.261 39.275 38.000 0.022 0.000 1.407 462 I HN 0.380 nan 8.210 nan 0.000 0.509 463 P HA 0.187 nan 4.420 nan 0.000 0.293 463 P C -1.940 175.166 177.300 -0.323 0.000 1.313 463 P CA -1.658 61.336 63.100 -0.176 0.000 0.787 463 P CB 0.675 32.294 31.700 -0.136 0.000 0.910 464 P HA -0.263 nan 4.420 nan 0.000 0.216 464 P C 1.070 178.024 177.300 -0.576 0.000 1.153 464 P CA 1.818 64.667 63.100 -0.419 0.000 0.858 464 P CB 0.167 31.574 31.700 -0.488 0.000 0.789 465 Q N -0.979 118.191 119.800 -1.050 0.000 2.112 465 Q HA -0.212 4.128 4.340 0.001 0.000 0.206 465 Q C 2.349 177.675 176.000 -1.123 0.000 0.987 465 Q CA 1.662 56.610 55.803 -1.426 0.000 0.858 465 Q CB -1.478 25.884 28.738 -2.293 0.000 0.905 465 Q HN 0.330 nan 8.270 nan 0.000 0.420 466 Y N 0.585 120.176 120.300 -1.182 0.000 2.181 466 Y HA -0.199 4.352 4.550 0.001 0.000 0.288 466 Y C 2.201 177.894 175.900 -0.344 0.000 1.146 466 Y CA 1.283 58.954 58.100 -0.716 0.000 1.164 466 Y CB -0.578 37.606 38.460 -0.459 0.000 0.982 466 Y HN 0.109 nan 8.280 nan 0.000 0.515 467 A N 0.432 123.111 122.820 -0.236 0.000 1.883 467 A HA -0.211 4.109 4.320 0.001 0.000 0.217 467 A C 2.298 179.789 177.584 -0.155 0.000 1.186 467 A CA 2.184 54.126 52.037 -0.159 0.000 0.624 467 A CB -1.182 17.781 19.000 -0.062 0.000 0.822 467 A HN 0.566 nan 8.150 nan 0.000 0.444 468 I N -0.996 119.503 120.570 -0.119 0.000 2.252 468 I HA -0.242 3.928 4.170 0.001 0.000 0.245 468 I C 2.536 178.637 176.117 -0.026 0.000 1.102 468 I CA 1.647 62.963 61.300 0.028 0.000 1.385 468 I CB -0.259 37.828 38.000 0.146 0.000 1.064 468 I HN 0.306 nan 8.210 nan 0.000 0.414 469 K N 0.545 120.841 120.400 -0.172 0.000 2.103 469 K HA -0.153 4.167 4.320 0.001 0.000 0.207 469 K C 2.046 178.484 176.600 -0.269 0.000 1.048 469 K CA 1.266 57.435 56.287 -0.196 0.000 0.930 469 K CB 0.043 32.399 32.500 -0.241 0.000 0.716 469 K HN 0.121 nan 8.250 nan 0.000 0.444 470 V N 1.191 120.882 119.914 -0.372 0.000 2.358 470 V HA -0.227 3.893 4.120 0.001 0.000 0.246 470 V C 2.130 178.129 176.094 -0.158 0.000 1.047 470 V CA 1.349 63.461 62.300 -0.314 0.000 1.035 470 V CB -0.375 31.233 31.823 -0.359 0.000 0.658 470 V HN 0.320 nan 8.190 nan 0.000 0.452 471 L N 0.765 121.938 121.223 -0.085 0.000 2.042 471 L HA -0.203 4.137 4.340 0.001 0.000 0.210 471 L C 2.168 179.053 176.870 0.024 0.000 1.076 471 L CA 2.426 57.279 54.840 0.022 0.000 0.749 471 L CB -0.846 41.286 42.059 0.122 0.000 0.893 471 L HN 0.398 nan 8.230 nan 0.000 0.432 472 D N -0.476 119.862 120.400 -0.103 0.000 2.092 472 D HA -0.285 4.356 4.640 0.001 0.000 0.193 472 D C 2.095 178.222 176.300 -0.288 0.000 0.994 472 D CA 1.760 55.473 54.000 -0.480 0.000 0.828 472 D CB -0.094 40.281 40.800 -0.710 0.000 0.963 472 D HN 0.603 nan 8.370 nan 0.000 0.450 473 E N -0.357 119.719 120.200 -0.206 0.000 2.031 473 E HA -0.152 4.199 4.350 0.001 0.000 0.193 473 E C 2.434 178.978 176.600 -0.094 0.000 0.994 473 E CA 0.804 57.117 56.400 -0.144 0.000 0.800 473 E CB -0.178 29.446 29.700 -0.127 0.000 0.752 473 E HN 0.331 nan 8.360 nan 0.000 0.447 474 L N 0.415 121.593 121.223 -0.075 0.000 2.362 474 L HA -0.087 4.253 4.340 0.001 0.000 0.219 474 L C 2.342 179.200 176.870 -0.021 0.000 1.134 474 L CA 1.432 56.245 54.840 -0.044 0.000 0.807 474 L CB -0.334 41.701 42.059 -0.040 0.000 0.927 474 L HN 0.314 nan 8.230 nan 0.000 0.447 475 T N -6.011 108.538 114.554 -0.008 0.000 3.054 475 T HA 0.073 4.423 4.350 0.001 0.000 0.255 475 T C 0.706 175.415 174.700 0.015 0.000 1.035 475 T CA 0.129 62.250 62.100 0.034 0.000 0.941 475 T CB 0.085 69.023 68.868 0.118 0.000 1.026 475 T HN 0.195 nan 8.240 nan 0.000 0.533 476 D N 1.434 121.810 120.400 -0.041 0.000 2.837 476 D HA -0.144 4.496 4.640 0.001 0.000 0.230 476 D C 1.125 177.385 176.300 -0.067 0.000 1.152 476 D CA 1.376 55.342 54.000 -0.057 0.000 0.736 476 D CB -1.636 39.149 40.800 -0.023 0.000 1.084 476 D HN 0.962 nan 8.370 nan 0.000 0.429 477 G N 0.084 108.809 108.800 -0.125 0.000 2.321 477 G HA2 -0.385 3.576 3.960 0.001 0.000 0.287 477 G HA3 -0.385 3.576 3.960 0.001 0.000 0.287 477 G C 0.797 175.778 174.900 0.136 0.000 1.018 477 G CA 0.793 45.812 45.100 -0.135 0.000 0.855 477 G HN 0.561 nan 8.290 nan 0.000 0.507 478 K N -0.561 119.937 120.400 0.163 0.000 2.438 478 K HA 0.516 4.836 4.320 0.001 0.000 0.205 478 K C 1.198 177.900 176.600 0.171 0.000 1.033 478 K CA 0.338 56.715 56.287 0.150 0.000 1.089 478 K CB 0.948 33.500 32.500 0.087 0.000 0.857 478 K HN 0.509 nan 8.250 nan 0.000 0.522 479 A N 1.235 124.194 122.820 0.231 0.000 2.286 479 A HA 0.473 4.794 4.320 0.001 0.000 0.286 479 A C -0.096 177.565 177.584 0.129 0.000 1.097 479 A CA -0.500 51.631 52.037 0.156 0.000 0.821 479 A CB 0.306 19.395 19.000 0.148 0.000 1.076 479 A HN 0.208 nan 8.150 nan 0.000 0.490 480 I N 2.422 123.049 120.570 0.095 0.000 2.325 480 I HA 0.191 4.361 4.170 0.001 0.000 0.291 480 I C -0.670 175.486 176.117 0.065 0.000 1.019 480 I CA -0.204 61.151 61.300 0.093 0.000 1.302 480 I CB 0.751 38.788 38.000 0.060 0.000 1.401 480 I HN 0.347 nan 8.210 nan 0.000 0.485 481 I N 6.044 126.675 120.570 0.102 0.000 2.339 481 I HA 0.259 4.430 4.170 0.001 0.000 0.290 481 I C 0.428 176.563 176.117 0.030 0.000 0.994 481 I CA -0.160 61.197 61.300 0.096 0.000 1.191 481 I CB 1.388 39.508 38.000 0.200 0.000 1.343 481 I HN 0.539 nan 8.210 nan 0.000 0.458 482 S N 4.541 120.230 115.700 -0.018 0.000 2.664 482 S HA 0.933 5.404 4.470 0.001 0.000 0.304 482 S C -0.093 174.483 174.600 -0.040 0.000 1.099 482 S CA -0.423 57.715 58.200 -0.104 0.000 1.003 482 S CB 2.523 65.646 63.200 -0.129 0.000 1.092 482 S HN 0.741 nan 8.310 nan 0.000 0.525 483 T N -1.908 112.618 114.554 -0.046 0.000 2.792 483 T HA 0.757 5.108 4.350 0.001 0.000 0.303 483 T C 0.369 175.159 174.700 0.150 0.000 1.310 483 T CA -0.389 61.760 62.100 0.081 0.000 1.007 483 T CB 0.888 69.770 68.868 0.023 0.000 1.335 483 T HN 1.045 nan 8.240 nan 0.000 0.504 484 G N -0.306 108.719 108.800 0.374 0.000 2.630 484 G HA2 0.610 4.570 3.960 0.001 0.000 0.223 484 G HA3 0.610 4.570 3.960 0.001 0.000 0.223 484 G C -0.969 173.950 174.900 0.031 0.000 1.434 484 G CA -0.677 44.622 45.100 0.330 0.000 1.057 484 G HN 0.912 nan 8.290 nan 0.000 0.570 485 V N -0.221 119.718 119.914 0.041 0.000 2.604 485 V HA 0.824 4.944 4.120 0.001 0.000 0.305 485 V C 0.729 176.778 176.094 -0.075 0.000 1.043 485 V CA 0.778 63.011 62.300 -0.112 0.000 0.888 485 V CB 0.752 32.521 31.823 -0.089 0.000 0.995 485 V HN 1.727 nan 8.190 nan 0.000 0.429 486 G N 3.481 112.167 108.800 -0.190 0.000 2.260 486 G HA2 -0.045 3.915 3.960 0.001 0.000 0.250 486 G HA3 -0.045 3.915 3.960 0.001 0.000 0.250 486 G C 0.114 174.858 174.900 -0.259 0.000 1.340 486 G CA 0.076 45.104 45.100 -0.119 0.000 1.056 486 G HN 0.449 nan 8.290 nan 0.000 0.471 487 Q N -0.563 119.087 119.800 -0.250 0.000 2.061 487 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 487 Q C 2.319 177.882 176.000 -0.729 0.000 0.984 487 Q CA 2.063 57.453 55.803 -0.688 0.000 0.846 487 Q CB -0.321 27.952 28.738 -0.775 0.000 0.902 487 Q HN 0.805 nan 8.270 nan 0.000 0.421 488 H N 0.418 119.379 119.070 -0.182 0.000 2.422 488 H HA -0.173 4.384 4.556 0.001 0.000 0.298 488 H C 1.834 177.263 175.328 0.169 0.000 1.098 488 H CA 1.709 57.871 56.048 0.189 0.000 1.315 488 H CB -0.308 29.597 29.762 0.238 0.000 1.382 488 H HN 0.377 nan 8.280 nan 0.000 0.523 489 Q N 0.172 119.632 119.800 -0.567 0.000 2.050 489 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 489 Q C 2.179 178.198 176.000 0.032 0.000 0.980 489 Q CA 1.468 57.127 55.803 -0.240 0.000 0.840 489 Q CB 0.134 28.669 28.738 -0.338 0.000 0.898 489 Q HN 0.303 nan 8.270 nan 0.000 0.424 490 M N -0.688 118.817 119.600 -0.158 0.000 2.117 490 M HA -0.181 4.299 4.480 0.001 0.000 0.262 490 M C 1.815 178.145 176.300 0.049 0.000 1.065 490 M CA 1.166 56.388 55.300 -0.129 0.000 1.114 490 M CB -1.192 31.168 32.600 -0.400 0.000 1.361 490 M HN 0.411 nan 8.290 nan 0.000 0.408 491 W N 0.422 121.833 121.300 0.185 0.000 2.388 491 W HA 0.042 4.702 4.660 0.001 0.000 0.294 491 W C 2.652 179.368 176.519 0.328 0.000 1.212 491 W CA 1.267 58.806 57.345 0.324 0.000 1.271 491 W CB -1.403 28.201 29.460 0.240 0.000 1.126 491 W HN 0.289 nan 8.180 nan 0.000 0.535 492 A N 0.451 123.559 122.820 0.479 0.000 1.972 492 A HA 0.018 4.338 4.320 0.001 0.000 0.219 492 A C 2.240 179.984 177.584 0.266 0.000 1.169 492 A CA 2.417 54.724 52.037 0.449 0.000 0.635 492 A CB -0.835 18.501 19.000 0.559 0.000 0.810 492 A HN 0.115 nan 8.150 nan 0.000 0.446 493 A N -0.754 122.112 122.820 0.076 0.000 1.874 493 A HA -0.107 4.213 4.320 0.001 0.000 0.214 493 A C 2.127 179.658 177.584 -0.088 0.000 1.189 493 A CA 1.411 53.274 52.037 -0.290 0.000 0.615 493 A CB -0.456 18.400 19.000 -0.241 0.000 0.830 493 A HN 0.609 nan 8.150 nan 0.000 0.443 494 Q N -1.440 118.353 119.800 -0.012 0.000 2.049 494 Q HA -0.041 4.299 4.340 0.001 0.000 0.198 494 Q C 0.720 176.451 176.000 -0.449 0.000 0.971 494 Q CA 1.313 56.967 55.803 -0.249 0.000 0.833 494 Q CB -0.146 28.393 28.738 -0.331 0.000 0.896 494 Q HN 0.718 nan 8.270 nan 0.000 0.434 495 F N -1.047 118.956 119.950 0.088 0.000 2.660 495 F HA 0.212 4.739 4.527 0.001 0.000 0.297 495 F C -0.225 175.568 175.800 -0.011 0.000 1.132 495 F CA -0.358 57.655 58.000 0.022 0.000 1.372 495 F CB 0.245 39.243 39.000 -0.004 0.000 1.003 495 F HN -0.032 nan 8.300 nan 0.000 0.524 496 Y N 0.822 121.079 120.300 -0.072 0.000 2.391 496 Y HA 0.428 4.979 4.550 0.001 0.000 0.341 496 Y C -0.528 175.087 175.900 -0.475 0.000 0.965 496 Y CA -1.231 56.700 58.100 -0.280 0.000 1.067 496 Y CB 0.928 39.165 38.460 -0.371 0.000 1.199 496 Y HN -0.137 nan 8.280 nan 0.000 0.450 497 N N 6.043 124.432 118.700 -0.517 0.000 2.500 497 N HA 0.122 4.862 4.740 0.001 0.000 0.236 497 N C -1.603 173.767 175.510 -0.233 0.000 1.022 497 N CA -0.193 52.692 53.050 -0.275 0.000 0.935 497 N CB 0.413 38.783 38.487 -0.195 0.000 1.147 497 N HN 0.539 nan 8.380 nan 0.000 0.512 498 Y N 1.434 121.847 120.300 0.189 0.000 2.377 498 Y HA 0.111 4.661 4.550 0.001 0.000 0.330 498 Y C 1.811 177.771 175.900 0.100 0.000 1.108 498 Y CA -0.278 57.943 58.100 0.202 0.000 1.308 498 Y CB 1.087 39.632 38.460 0.143 0.000 1.216 498 Y HN 0.182 nan 8.280 nan 0.000 0.518 499 K N 1.835 122.354 120.400 0.199 0.000 2.166 499 K HA 0.102 4.422 4.320 0.001 0.000 0.201 499 K C 0.179 176.846 176.600 0.111 0.000 1.052 499 K CA 0.854 57.202 56.287 0.102 0.000 0.969 499 K CB 0.209 32.752 32.500 0.071 0.000 0.761 499 K HN 0.486 nan 8.250 nan 0.000 0.459 500 K N 0.510 121.007 120.400 0.161 0.000 2.400 500 K HA 0.458 4.778 4.320 0.001 0.000 0.246 500 K C -2.711 173.983 176.600 0.157 0.000 0.995 500 K CA -2.386 53.983 56.287 0.135 0.000 0.840 500 K CB 1.370 33.936 32.500 0.111 0.000 1.293 500 K HN -0.224 nan 8.250 nan 0.000 0.445 501 P HA 0.337 nan 4.420 nan 0.000 0.276 501 P C -0.675 176.687 177.300 0.103 0.000 1.252 501 P CA -0.257 62.911 63.100 0.114 0.000 0.802 501 P CB 0.497 32.255 31.700 0.096 0.000 1.035 502 R N -0.920 119.636 120.500 0.093 0.000 3.936 502 R HA -0.222 4.118 4.340 0.001 0.000 0.366 502 R C 0.898 177.249 176.300 0.085 0.000 1.158 502 R CA 0.653 56.795 56.100 0.070 0.000 0.969 502 R CB -2.064 28.266 30.300 0.050 0.000 1.504 502 R HN 0.592 nan 8.270 nan 0.000 0.538 503 Q N -0.593 119.288 119.800 0.134 0.000 2.378 503 Q HA 0.075 4.416 4.340 0.001 0.000 0.229 503 Q C 0.006 176.120 176.000 0.190 0.000 0.882 503 Q CA 0.071 55.991 55.803 0.194 0.000 0.936 503 Q CB 0.555 29.491 28.738 0.331 0.000 1.092 503 Q HN 0.408 nan 8.270 nan 0.000 0.535 504 W N 2.069 123.247 121.300 -0.203 0.000 2.291 504 W HA 0.434 5.094 4.660 0.001 0.000 0.312 504 W C -1.794 174.635 176.519 -0.150 0.000 1.061 504 W CA -0.448 56.680 57.345 -0.362 0.000 1.296 504 W CB 0.403 29.445 29.460 -0.697 0.000 1.223 504 W HN -0.052 nan 8.180 nan 0.000 0.421 505 L N 6.728 127.667 121.223 -0.473 0.000 2.324 505 L HA 0.376 4.716 4.340 0.001 0.000 0.274 505 L C -0.069 176.466 176.870 -0.557 0.000 1.012 505 L CA -0.358 54.259 54.840 -0.372 0.000 0.859 505 L CB 1.219 43.203 42.059 -0.124 0.000 1.224 505 L HN 0.243 nan 8.230 nan 0.000 0.429 506 S N 1.088 116.324 115.700 -0.774 0.000 2.536 506 S HA 0.352 4.822 4.470 0.001 0.000 0.271 506 S C -0.671 173.457 174.600 -0.787 0.000 1.134 506 S CA -0.425 57.292 58.200 -0.806 0.000 0.897 506 S CB 2.197 64.656 63.200 -1.235 0.000 1.094 506 S HN 0.500 nan 8.310 nan 0.000 0.473 507 S N 3.117 118.206 115.700 -1.017 0.000 2.414 507 S HA 0.431 4.901 4.470 0.001 0.000 0.290 507 S C 1.112 175.445 174.600 -0.445 0.000 1.160 507 S CA 0.150 57.816 58.200 -0.890 0.000 1.069 507 S CB -0.116 62.473 63.200 -1.017 0.000 1.012 507 S HN 0.865 nan 8.310 nan 0.000 0.510 508 G N 4.015 112.632 108.800 -0.306 0.000 2.556 508 G HA2 0.175 4.136 3.960 0.001 0.000 0.209 508 G HA3 0.175 4.136 3.960 0.001 0.000 0.209 508 G C 1.253 176.081 174.900 -0.121 0.000 1.159 508 G CA 0.405 45.410 45.100 -0.158 0.000 0.828 508 G HN 0.781 nan 8.290 nan 0.000 0.553 509 G N 0.735 109.464 108.800 -0.118 0.000 2.394 509 G HA2 -0.037 3.924 3.960 0.001 0.000 0.214 509 G HA3 -0.037 3.924 3.960 0.001 0.000 0.214 509 G C 1.684 176.530 174.900 -0.090 0.000 1.176 509 G CA 1.083 46.133 45.100 -0.084 0.000 0.786 509 G HN 0.345 nan 8.290 nan 0.000 0.533 510 L N 0.531 121.686 121.223 -0.114 0.000 2.202 510 L HA 0.387 4.728 4.340 0.001 0.000 0.205 510 L C 1.745 178.545 176.870 -0.117 0.000 1.083 510 L CA 1.529 56.311 54.840 -0.097 0.000 0.790 510 L CB -0.362 41.650 42.059 -0.079 0.000 0.942 510 L HN 0.448 nan 8.230 nan 0.000 0.452 511 G N 0.463 109.159 108.800 -0.174 0.000 2.351 511 G HA2 -0.139 3.822 3.960 0.001 0.000 0.297 511 G HA3 -0.139 3.822 3.960 0.001 0.000 0.297 511 G C 0.267 175.075 174.900 -0.153 0.000 1.054 511 G CA 0.226 45.217 45.100 -0.181 0.000 1.123 511 G HN 0.824 nan 8.290 nan 0.000 0.512 512 A N 1.567 124.273 122.820 -0.190 0.000 2.309 512 A HA 0.765 5.085 4.320 0.001 0.000 0.290 512 A C 0.848 178.381 177.584 -0.085 0.000 1.206 512 A CA -0.118 51.866 52.037 -0.088 0.000 0.850 512 A CB 0.371 19.382 19.000 0.019 0.000 1.118 512 A HN 0.661 nan 8.150 nan 0.000 0.523 513 M N 1.715 121.311 119.600 -0.007 0.000 2.232 513 M HA 0.350 4.830 4.480 0.001 0.000 0.321 513 M C 1.462 177.800 176.300 0.064 0.000 1.101 513 M CA 1.817 57.134 55.300 0.027 0.000 1.181 513 M CB 0.419 33.040 32.600 0.035 0.000 1.432 513 M HN 1.308 nan 8.290 nan 0.000 0.457 514 G N 1.227 110.061 108.800 0.057 0.000 2.159 514 G HA2 -0.303 3.657 3.960 0.001 0.000 0.256 514 G HA3 -0.303 3.657 3.960 0.001 0.000 0.256 514 G C 0.345 175.274 174.900 0.049 0.000 0.977 514 G CA 0.529 45.665 45.100 0.059 0.000 0.652 514 G HN 0.776 nan 8.290 nan 0.000 0.531 515 F N 1.741 121.491 119.950 -0.333 0.000 2.234 515 F HA 0.283 4.810 4.527 0.001 0.000 0.296 515 F C 2.358 177.957 175.800 -0.335 0.000 1.089 515 F CA 2.092 59.666 58.000 -0.709 0.000 1.343 515 F CB -0.450 38.029 39.000 -0.868 0.000 1.040 515 F HN 0.124 nan 8.300 nan 0.000 0.498 516 G N 1.233 109.972 108.800 -0.102 0.000 2.529 516 G HA2 -0.339 3.622 3.960 0.001 0.000 0.219 516 G HA3 -0.339 3.622 3.960 0.001 0.000 0.219 516 G C 1.588 176.397 174.900 -0.152 0.000 1.177 516 G CA 1.308 46.345 45.100 -0.105 0.000 0.773 516 G HN 0.414 nan 8.290 nan 0.000 0.573 517 L N 1.746 122.922 121.223 -0.079 0.000 2.005 517 L HA 0.108 4.448 4.340 0.001 0.000 0.207 517 L C 0.066 176.864 176.870 -0.121 0.000 1.072 517 L CA 1.777 56.587 54.840 -0.050 0.000 0.744 517 L CB -0.954 41.079 42.059 -0.044 0.000 0.895 517 L HN 0.117 nan 8.230 nan 0.000 0.433 518 P HA -0.112 nan 4.420 nan 0.000 0.217 518 P C 1.525 178.652 177.300 -0.288 0.000 1.150 518 P CA 1.867 64.869 63.100 -0.162 0.000 0.832 518 P CB -0.172 31.496 31.700 -0.054 0.000 0.787 519 A N 0.177 122.678 122.820 -0.533 0.000 1.933 519 A HA -0.132 4.188 4.320 0.001 0.000 0.218 519 A C 2.325 179.727 177.584 -0.303 0.000 1.175 519 A CA 2.106 53.769 52.037 -0.625 0.000 0.628 519 A CB -1.632 16.646 19.000 -1.202 0.000 0.814 519 A HN 0.193 nan 8.150 nan 0.000 0.444 520 A N -0.097 122.593 122.820 -0.217 0.000 1.933 520 A HA -0.084 4.237 4.320 0.001 0.000 0.218 520 A C 2.111 179.674 177.584 -0.035 0.000 1.175 520 A CA 1.473 53.457 52.037 -0.089 0.000 0.628 520 A CB -0.580 18.397 19.000 -0.039 0.000 0.814 520 A HN 0.511 nan 8.150 nan 0.000 0.444 521 I N -0.459 120.088 120.570 -0.040 0.000 2.179 521 I HA -0.227 3.943 4.170 0.001 0.000 0.242 521 I C 2.708 178.883 176.117 0.097 0.000 1.088 521 I CA 1.289 62.611 61.300 0.037 0.000 1.357 521 I CB -0.644 37.378 38.000 0.036 0.000 1.051 521 I HN 0.415 nan 8.210 nan 0.000 0.409 522 G N 0.251 109.050 108.800 -0.002 0.000 2.408 522 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 522 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 522 G C 1.853 176.862 174.900 0.182 0.000 1.150 522 G CA 0.761 45.934 45.100 0.121 0.000 0.776 522 G HN 0.490 nan 8.290 nan 0.000 0.542 523 A N 0.545 123.389 122.820 0.040 0.000 1.902 523 A HA -0.010 4.310 4.320 0.001 0.000 0.217 523 A C 2.625 180.229 177.584 0.034 0.000 1.181 523 A CA 2.292 54.335 52.037 0.009 0.000 0.623 523 A CB -0.773 18.215 19.000 -0.021 0.000 0.818 523 A HN 0.399 nan 8.150 nan 0.000 0.443 524 S N -0.726 115.011 115.700 0.063 0.000 2.368 524 S HA -0.111 4.359 4.470 0.001 0.000 0.224 524 S C 1.896 176.555 174.600 0.099 0.000 1.029 524 S CA 1.511 59.754 58.200 0.072 0.000 0.988 524 S CB -0.430 62.816 63.200 0.077 0.000 0.838 524 S HN 0.291 nan 8.310 nan 0.000 0.462 525 V N 1.907 121.923 119.914 0.170 0.000 2.407 525 V HA -0.100 4.021 4.120 0.001 0.000 0.248 525 V C 2.709 178.902 176.094 0.165 0.000 1.055 525 V CA 1.730 64.157 62.300 0.212 0.000 1.049 525 V CB -1.115 30.923 31.823 0.358 0.000 0.662 525 V HN 0.595 nan 8.190 nan 0.000 0.455 526 A N -0.344 122.518 122.820 0.070 0.000 2.067 526 A HA -0.009 4.311 4.320 0.001 0.000 0.217 526 A C 1.090 178.621 177.584 -0.090 0.000 1.156 526 A CA 0.873 52.797 52.037 -0.188 0.000 0.683 526 A CB -0.163 18.495 19.000 -0.569 0.000 0.808 526 A HN 0.609 nan 8.150 nan 0.000 0.455 527 N N -0.523 118.166 118.700 -0.020 0.000 2.752 527 N HA 0.186 4.926 4.740 0.001 0.000 0.260 527 N C -2.580 172.946 175.510 0.027 0.000 1.562 527 N CA -0.933 52.117 53.050 -0.000 0.000 0.788 527 N CB 1.143 39.629 38.487 -0.001 0.000 1.192 527 N HN 0.033 nan 8.380 nan 0.000 0.503 528 P HA -0.114 nan 4.420 nan 0.000 0.217 528 P C 0.339 177.662 177.300 0.038 0.000 1.148 528 P CA 1.391 64.516 63.100 0.042 0.000 0.828 528 P CB 0.334 32.059 31.700 0.041 0.000 0.783 529 D N -1.497 118.923 120.400 0.033 0.000 2.388 529 D HA 0.264 4.905 4.640 0.001 0.000 0.221 529 D C 0.629 176.949 176.300 0.034 0.000 1.133 529 D CA 0.071 54.090 54.000 0.032 0.000 0.831 529 D CB 0.279 41.096 40.800 0.028 0.000 0.962 529 D HN 0.127 nan 8.370 nan 0.000 0.502 530 A N 0.399 123.242 122.820 0.037 0.000 2.299 530 A HA 0.636 4.957 4.320 0.001 0.000 0.332 530 A C -0.028 177.584 177.584 0.047 0.000 1.131 530 A CA -0.591 51.472 52.037 0.043 0.000 0.844 530 A CB 1.065 20.091 19.000 0.043 0.000 1.251 530 A HN 0.085 nan 8.150 nan 0.000 0.486 531 I N 1.355 121.957 120.570 0.054 0.000 2.312 531 I HA 0.281 4.451 4.170 0.001 0.000 0.291 531 I C -0.847 175.305 176.117 0.060 0.000 1.031 531 I CA -0.232 61.101 61.300 0.056 0.000 1.293 531 I CB 1.175 39.213 38.000 0.063 0.000 1.403 531 I HN 0.198 nan 8.210 nan 0.000 0.484 532 V N 7.813 127.759 119.914 0.055 0.000 2.378 532 V HA 0.376 4.496 4.120 0.001 0.000 0.288 532 V C -0.106 176.020 176.094 0.053 0.000 1.016 532 V CA -0.608 61.722 62.300 0.050 0.000 0.840 532 V CB 1.820 33.669 31.823 0.043 0.000 0.994 532 V HN 0.388 nan 8.190 nan 0.000 0.431 533 V N 3.535 123.479 119.914 0.051 0.000 2.444 533 V HA 0.411 4.532 4.120 0.001 0.000 0.294 533 V C -0.557 175.572 176.094 0.058 0.000 1.022 533 V CA -0.628 61.707 62.300 0.059 0.000 0.850 533 V CB 2.066 33.927 31.823 0.064 0.000 0.992 533 V HN 0.933 nan 8.190 nan 0.000 0.426 534 D N 4.831 125.270 120.400 0.065 0.000 2.396 534 D HA 0.327 4.967 4.640 0.001 0.000 0.225 534 D C -0.182 176.176 176.300 0.096 0.000 1.121 534 D CA -0.182 53.860 54.000 0.071 0.000 0.853 534 D CB 0.754 41.599 40.800 0.075 0.000 1.043 534 D HN 0.481 nan 8.370 nan 0.000 0.500 535 I N 4.024 124.677 120.570 0.139 0.000 2.278 535 I HA 0.164 4.335 4.170 0.001 0.000 0.296 535 I C 0.496 176.762 176.117 0.249 0.000 1.121 535 I CA -0.310 61.103 61.300 0.188 0.000 1.267 535 I CB 0.330 38.490 38.000 0.266 0.000 1.447 535 I HN 0.318 nan 8.210 nan 0.000 0.509 536 D N 4.050 124.497 120.400 0.079 0.000 2.384 536 D HA 0.569 5.210 4.640 0.001 0.000 0.250 536 D C -0.027 175.955 176.300 -0.530 0.000 1.029 536 D CA -0.177 53.774 54.000 -0.082 0.000 0.990 536 D CB 2.373 43.218 40.800 0.076 0.000 1.175 536 D HN 0.480 nan 8.370 nan 0.000 0.532 537 G N -0.471 107.861 108.800 -0.779 0.000 2.454 537 G HA2 0.242 4.202 3.960 0.001 0.000 0.329 537 G HA3 0.242 4.202 3.960 0.001 0.000 0.329 537 G C 0.712 175.536 174.900 -0.127 0.000 1.177 537 G CA -0.484 44.270 45.100 -0.576 0.000 0.951 537 G HN 0.501 nan 8.290 nan 0.000 0.485 538 D N 0.358 120.738 120.400 -0.033 0.000 2.219 538 D HA -0.085 4.555 4.640 0.001 0.000 0.205 538 D C 1.962 178.304 176.300 0.070 0.000 0.970 538 D CA 1.193 55.220 54.000 0.045 0.000 0.851 538 D CB -0.380 40.440 40.800 0.034 0.000 0.943 538 D HN 0.472 nan 8.370 nan 0.000 0.488 539 G N 0.608 109.438 108.800 0.050 0.000 2.394 539 G HA2 -0.186 3.775 3.960 0.001 0.000 0.214 539 G HA3 -0.186 3.775 3.960 0.001 0.000 0.214 539 G C 1.851 176.775 174.900 0.040 0.000 1.176 539 G CA 0.834 45.959 45.100 0.042 0.000 0.786 539 G HN 0.327 nan 8.290 nan 0.000 0.533 540 S N 0.410 116.149 115.700 0.064 0.000 2.368 540 S HA -0.063 4.408 4.470 0.001 0.000 0.224 540 S C 1.893 176.523 174.600 0.049 0.000 1.029 540 S CA 0.929 59.171 58.200 0.070 0.000 0.988 540 S CB -0.372 62.912 63.200 0.140 0.000 0.838 540 S HN 0.372 nan 8.310 nan 0.000 0.462 541 F N 2.038 121.942 119.950 -0.077 0.000 2.134 541 F HA -0.022 4.505 4.527 0.001 0.000 0.299 541 F C 1.884 177.599 175.800 -0.142 0.000 1.097 541 F CA 1.040 58.982 58.000 -0.097 0.000 1.264 541 F CB -0.271 38.672 39.000 -0.097 0.000 1.001 541 F HN 0.137 nan 8.300 nan 0.000 0.479 542 I N -0.348 120.121 120.570 -0.168 0.000 2.676 542 I HA -0.279 3.892 4.170 0.001 0.000 0.259 542 I C 2.085 177.994 176.117 -0.347 0.000 1.194 542 I CA 0.812 61.901 61.300 -0.351 0.000 1.473 542 I CB -0.112 37.788 38.000 -0.167 0.000 1.096 542 I HN 0.230 nan 8.210 nan 0.000 0.443 543 M N 0.131 119.595 119.600 -0.227 0.000 2.108 543 M HA -0.208 4.272 4.480 0.001 0.000 0.261 543 M C 0.596 176.744 176.300 -0.254 0.000 1.066 543 M CA 1.577 56.762 55.300 -0.191 0.000 1.107 543 M CB -0.294 32.244 32.600 -0.103 0.000 1.356 543 M HN 0.206 nan 8.290 nan 0.000 0.406 544 N N -0.143 118.382 118.700 -0.291 0.000 2.480 544 N HA 0.116 4.856 4.740 0.001 0.000 0.281 544 N C 0.715 175.988 175.510 -0.395 0.000 1.381 544 N CA 0.057 52.933 53.050 -0.290 0.000 0.903 544 N CB 0.969 39.354 38.487 -0.170 0.000 1.274 544 N HN 0.045 nan 8.380 nan 0.000 0.505 545 V N 1.532 121.110 119.914 -0.560 0.000 2.688 545 V HA -0.221 3.899 4.120 0.001 0.000 0.256 545 V C 2.503 178.333 176.094 -0.440 0.000 1.084 545 V CA 1.833 63.686 62.300 -0.745 0.000 1.103 545 V CB -0.103 31.134 31.823 -0.976 0.000 0.688 545 V HN 0.448 nan 8.190 nan 0.000 0.480 546 Q N -0.561 119.059 119.800 -0.300 0.000 2.364 546 Q HA -0.215 4.125 4.340 0.001 0.000 0.209 546 Q C 1.495 177.434 176.000 -0.101 0.000 0.977 546 Q CA 1.625 57.333 55.803 -0.159 0.000 0.885 546 Q CB -0.585 28.095 28.738 -0.096 0.000 0.941 546 Q HN 0.608 nan 8.270 nan 0.000 0.464 547 E N 1.002 121.125 120.200 -0.128 0.000 2.478 547 E HA 0.038 4.388 4.350 0.001 0.000 0.198 547 E C 2.076 178.656 176.600 -0.034 0.000 1.046 547 E CA 0.174 56.538 56.400 -0.061 0.000 0.870 547 E CB -0.219 29.440 29.700 -0.068 0.000 0.818 547 E HN 0.446 nan 8.360 nan 0.000 0.527 548 L N 0.211 121.399 121.223 -0.059 0.000 2.131 548 L HA -0.164 4.177 4.340 0.001 0.000 0.210 548 L C 2.408 179.294 176.870 0.026 0.000 1.092 548 L CA 1.104 55.946 54.840 0.004 0.000 0.759 548 L CB -0.516 41.555 42.059 0.021 0.000 0.903 548 L HN 0.076 nan 8.230 nan 0.000 0.435 549 A N -0.311 122.520 122.820 0.018 0.000 1.902 549 A HA -0.209 4.112 4.320 0.001 0.000 0.217 549 A C 2.373 179.983 177.584 0.043 0.000 1.181 549 A CA 2.364 54.421 52.037 0.033 0.000 0.623 549 A CB -0.891 18.128 19.000 0.033 0.000 0.818 549 A HN 0.375 nan 8.150 nan 0.000 0.443 550 T N 0.429 115.011 114.554 0.048 0.000 2.708 550 T HA -0.130 4.220 4.350 0.001 0.000 0.266 550 T C 1.807 176.547 174.700 0.067 0.000 1.037 550 T CA 1.575 63.715 62.100 0.066 0.000 1.146 550 T CB -0.457 68.460 68.868 0.081 0.000 0.865 550 T HN 0.425 nan 8.240 nan 0.000 0.435 551 I N 0.859 121.465 120.570 0.061 0.000 2.151 551 I HA -0.245 3.925 4.170 0.001 0.000 0.243 551 I C 2.809 178.963 176.117 0.062 0.000 1.080 551 I CA 1.317 62.657 61.300 0.066 0.000 1.339 551 I CB -0.308 37.731 38.000 0.066 0.000 1.039 551 I HN 0.097 nan 8.210 nan 0.000 0.409 552 R N 1.273 121.805 120.500 0.055 0.000 2.070 552 R HA -0.116 4.224 4.340 0.001 0.000 0.232 552 R C 2.074 178.401 176.300 0.045 0.000 1.138 552 R CA 1.952 58.081 56.100 0.049 0.000 0.936 552 R CB -1.215 29.111 30.300 0.043 0.000 0.839 552 R HN 0.168 nan 8.270 nan 0.000 0.429 553 V N 1.658 121.597 119.914 0.043 0.000 2.392 553 V HA -0.173 3.948 4.120 0.001 0.000 0.249 553 V C 1.726 177.843 176.094 0.039 0.000 1.059 553 V CA 2.167 64.489 62.300 0.037 0.000 1.051 553 V CB -0.511 31.333 31.823 0.035 0.000 0.658 553 V HN 0.369 nan 8.190 nan 0.000 0.455 554 E N -0.612 119.618 120.200 0.049 0.000 2.489 554 E HA 0.031 4.382 4.350 0.001 0.000 0.193 554 E C 0.380 177.011 176.600 0.052 0.000 1.057 554 E CA -0.196 56.235 56.400 0.051 0.000 0.866 554 E CB -0.424 29.317 29.700 0.069 0.000 0.916 554 E HN 0.589 nan 8.360 nan 0.000 0.500 555 N N 1.039 119.769 118.700 0.050 0.000 2.688 555 N HA -0.204 4.537 4.740 0.001 0.000 0.258 555 N C -0.814 174.730 175.510 0.057 0.000 1.016 555 N CA 0.619 53.700 53.050 0.051 0.000 0.747 555 N CB -1.176 37.336 38.487 0.042 0.000 0.895 555 N HN 0.221 nan 8.380 nan 0.000 0.543 556 L N 1.271 122.534 121.223 0.066 0.000 2.295 556 L HA 0.364 4.704 4.340 0.001 0.000 0.285 556 L C -1.355 175.559 176.870 0.072 0.000 1.035 556 L CA -1.669 53.214 54.840 0.072 0.000 0.806 556 L CB 1.364 43.473 42.059 0.082 0.000 1.214 556 L HN -0.071 nan 8.230 nan 0.000 0.426 557 P HA 0.027 nan 4.420 nan 0.000 0.238 557 P C -0.231 177.116 177.300 0.077 0.000 1.714 557 P CA 0.009 63.152 63.100 0.073 0.000 0.908 557 P CB -0.075 31.662 31.700 0.061 0.000 1.893 558 V N 2.919 122.883 119.914 0.084 0.000 2.455 558 V HA 0.109 4.229 4.120 0.001 0.000 0.273 558 V C 0.874 177.032 176.094 0.106 0.000 1.045 558 V CA 0.005 62.356 62.300 0.084 0.000 0.976 558 V CB 0.640 32.510 31.823 0.078 0.000 0.993 558 V HN 0.161 nan 8.190 nan 0.000 0.475 559 K N 4.386 124.846 120.400 0.100 0.000 2.159 559 K HA 0.583 4.903 4.320 0.001 0.000 0.266 559 K C -0.825 175.838 176.600 0.105 0.000 0.975 559 K CA -0.580 55.780 56.287 0.122 0.000 0.865 559 K CB 2.117 34.672 32.500 0.092 0.000 1.087 559 K HN 0.373 nan 8.250 nan 0.000 0.446 560 V N 3.891 123.870 119.914 0.109 0.000 2.350 560 V HA 0.202 4.323 4.120 0.001 0.000 0.285 560 V C -0.473 175.630 176.094 0.015 0.000 1.014 560 V CA -0.935 61.395 62.300 0.051 0.000 0.831 560 V CB 1.285 33.115 31.823 0.011 0.000 1.000 560 V HN 0.524 nan 8.190 nan 0.000 0.433 561 L N 6.727 127.964 121.223 0.023 0.000 2.315 561 L HA 0.500 4.840 4.340 0.001 0.000 0.278 561 L C -0.442 176.411 176.870 -0.028 0.000 1.088 561 L CA -0.187 54.665 54.840 0.020 0.000 0.899 561 L CB 0.829 42.925 42.059 0.061 0.000 1.277 561 L HN 0.621 nan 8.230 nan 0.000 0.431 562 L N 5.749 126.905 121.223 -0.112 0.000 2.295 562 L HA 0.325 4.665 4.340 0.001 0.000 0.288 562 L C -0.556 176.263 176.870 -0.085 0.000 1.079 562 L CA 0.170 54.900 54.840 -0.183 0.000 0.830 562 L CB 0.410 42.242 42.059 -0.379 0.000 1.200 562 L HN 0.461 nan 8.230 nan 0.000 0.438 563 L N 5.561 126.761 121.223 -0.039 0.000 2.404 563 L HA 0.244 4.584 4.340 0.001 0.000 0.277 563 L C 0.340 177.232 176.870 0.036 0.000 1.184 563 L CA -0.197 54.666 54.840 0.039 0.000 1.013 563 L CB -0.403 41.744 42.059 0.148 0.000 1.318 563 L HN 0.620 nan 8.230 nan 0.000 0.435 564 N N 3.432 122.148 118.700 0.027 0.000 2.411 564 N HA 0.028 4.768 4.740 0.001 0.000 0.259 564 N C 0.316 175.897 175.510 0.118 0.000 1.103 564 N CA -0.050 53.029 53.050 0.048 0.000 0.954 564 N CB 0.759 39.258 38.487 0.020 0.000 1.085 564 N HN 0.522 nan 8.380 nan 0.000 0.485 565 N N 2.695 121.498 118.700 0.171 0.000 2.194 565 N HA 0.012 4.752 4.740 0.001 0.000 0.231 565 N C -0.394 175.328 175.510 0.353 0.000 1.247 565 N CA -0.062 53.147 53.050 0.265 0.000 0.884 565 N CB 0.221 38.895 38.487 0.311 0.000 1.146 565 N HN 0.351 nan 8.380 nan 0.000 0.516 566 Q N -0.900 119.031 119.800 0.219 0.000 2.332 566 Q HA -0.242 4.099 4.340 0.001 0.000 0.222 566 Q C -0.817 175.181 176.000 -0.004 0.000 0.758 566 Q CA 1.654 57.525 55.803 0.114 0.000 1.355 566 Q CB -2.125 26.734 28.738 0.203 0.000 1.705 566 Q HN 0.753 nan 8.270 nan 0.000 0.638 567 H N -1.665 117.478 119.070 0.122 0.000 2.908 567 H HA 0.596 5.153 4.556 0.001 0.000 0.350 567 H C 0.079 175.484 175.328 0.128 0.000 1.217 567 H CA -0.849 55.287 56.048 0.147 0.000 1.168 567 H CB 0.812 30.699 29.762 0.209 0.000 1.891 567 H HN -0.036 nan 8.280 nan 0.000 0.566 568 L N 2.190 123.576 121.223 0.271 0.000 2.449 568 L HA 0.217 4.557 4.340 0.001 0.000 0.255 568 L C 1.499 178.499 176.870 0.218 0.000 1.167 568 L CA -0.248 54.704 54.840 0.187 0.000 1.090 568 L CB 0.041 42.181 42.059 0.135 0.000 1.385 568 L HN 0.968 nan 8.230 nan 0.000 0.411 569 G N 1.935 110.875 108.800 0.233 0.000 2.703 569 G HA2 -0.418 3.542 3.960 0.001 0.000 0.222 569 G HA3 -0.418 3.542 3.960 0.001 0.000 0.222 569 G C 1.349 176.343 174.900 0.158 0.000 1.183 569 G CA 1.298 46.526 45.100 0.214 0.000 0.775 569 G HN 0.522 nan 8.290 nan 0.000 0.615 570 M N 0.282 119.943 119.600 0.101 0.000 2.117 570 M HA -0.001 4.479 4.480 0.001 0.000 0.262 570 M C 2.578 178.977 176.300 0.165 0.000 1.065 570 M CA 1.295 56.654 55.300 0.098 0.000 1.114 570 M CB -0.447 32.162 32.600 0.015 0.000 1.361 570 M HN 0.061 nan 8.290 nan 0.000 0.408 571 V N 0.089 120.071 119.914 0.114 0.000 2.427 571 V HA -0.283 3.837 4.120 0.001 0.000 0.248 571 V C 2.533 178.766 176.094 0.232 0.000 1.051 571 V CA 1.992 64.369 62.300 0.128 0.000 1.048 571 V CB -0.912 30.958 31.823 0.078 0.000 0.666 571 V HN 0.652 nan 8.190 nan 0.000 0.456 572 M N -0.143 119.592 119.600 0.226 0.000 2.117 572 M HA -0.260 4.220 4.480 0.001 0.000 0.262 572 M C 2.359 178.805 176.300 0.243 0.000 1.065 572 M CA 2.156 57.601 55.300 0.242 0.000 1.114 572 M CB -0.265 32.486 32.600 0.251 0.000 1.361 572 M HN 0.419 nan 8.290 nan 0.000 0.408 573 Q N -0.508 119.410 119.800 0.197 0.000 2.096 573 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 573 Q C 1.647 177.688 176.000 0.067 0.000 0.982 573 Q CA 2.399 58.178 55.803 -0.038 0.000 0.850 573 Q CB -0.284 28.353 28.738 -0.168 0.000 0.901 573 Q HN 0.688 nan 8.270 nan 0.000 0.422 574 W N 1.124 122.486 121.300 0.102 0.000 2.402 574 W HA -0.062 4.598 4.660 0.001 0.000 0.286 574 W C 1.956 178.713 176.519 0.397 0.000 1.221 574 W CA 1.087 58.627 57.345 0.326 0.000 1.257 574 W CB -0.088 29.609 29.460 0.394 0.000 1.120 574 W HN 0.307 nan 8.180 nan 0.000 0.551 575 E N -0.108 120.382 120.200 0.483 0.000 2.077 575 E HA -0.197 4.153 4.350 0.001 0.000 0.193 575 E C 1.640 178.416 176.600 0.292 0.000 0.989 575 E CA 1.489 58.143 56.400 0.423 0.000 0.800 575 E CB -0.293 29.554 29.700 0.246 0.000 0.746 575 E HN 0.170 nan 8.360 nan 0.000 0.452 576 D N 0.411 120.925 120.400 0.191 0.000 2.084 576 D HA -0.136 4.504 4.640 0.001 0.000 0.194 576 D C 2.027 178.301 176.300 -0.043 0.000 0.990 576 D CA 0.952 55.024 54.000 0.119 0.000 0.826 576 D CB -0.131 40.821 40.800 0.253 0.000 0.971 576 D HN 0.026 nan 8.370 nan 0.000 0.453 577 R N -0.230 120.111 120.500 -0.266 0.000 2.075 577 R HA -0.020 4.320 4.340 0.001 0.000 0.232 577 R C 1.926 177.657 176.300 -0.949 0.000 1.126 577 R CA 0.753 56.391 56.100 -0.769 0.000 0.963 577 R CB -0.560 28.876 30.300 -1.439 0.000 0.858 577 R HN 0.343 nan 8.270 nan 0.000 0.435 578 F N -2.724 117.166 119.950 -0.101 0.000 2.706 578 F HA 0.234 4.761 4.527 0.001 0.000 0.313 578 F C 0.396 175.857 175.800 -0.565 0.000 1.096 578 F CA -0.317 57.486 58.000 -0.328 0.000 1.219 578 F CB 0.406 39.147 39.000 -0.431 0.000 1.051 578 F HN -0.127 nan 8.300 nan 0.000 0.568 579 Y N 0.136 120.524 120.300 0.147 0.000 2.721 579 Y HA 0.293 4.843 4.550 0.001 0.000 0.251 579 Y C 0.187 176.129 175.900 0.069 0.000 1.136 579 Y CA -1.489 56.685 58.100 0.123 0.000 1.142 579 Y CB -0.097 38.452 38.460 0.149 0.000 1.212 579 Y HN -0.104 nan 8.280 nan 0.000 0.565 580 K N 0.480 120.945 120.400 0.108 0.000 3.077 580 K HA -0.246 4.075 4.320 0.001 0.000 0.264 580 K C 0.854 177.510 176.600 0.092 0.000 1.008 580 K CA 0.550 56.879 56.287 0.070 0.000 0.740 580 K CB -1.599 30.938 32.500 0.062 0.000 1.273 580 K HN 0.598 nan 8.250 nan 0.000 0.477 581 A N -0.651 122.239 122.820 0.117 0.000 2.790 581 A HA -0.311 4.010 4.320 0.001 0.000 0.277 581 A C 0.274 177.924 177.584 0.110 0.000 1.435 581 A CA 1.370 53.477 52.037 0.116 0.000 0.877 581 A CB -1.600 17.445 19.000 0.075 0.000 1.007 581 A HN 0.708 nan 8.150 nan 0.000 0.613 582 N N 0.886 119.663 118.700 0.128 0.000 2.400 582 N HA 0.198 4.938 4.740 0.001 0.000 0.267 582 N C 0.263 175.805 175.510 0.053 0.000 1.208 582 N CA -0.119 52.982 53.050 0.085 0.000 0.951 582 N CB 0.249 38.794 38.487 0.097 0.000 1.227 582 N HN 0.328 nan 8.380 nan 0.000 0.488 583 R N 2.507 123.029 120.500 0.037 0.000 2.449 583 R HA 0.211 4.551 4.340 0.001 0.000 0.296 583 R C -0.501 175.743 176.300 -0.093 0.000 1.047 583 R CA -0.079 56.033 56.100 0.021 0.000 1.018 583 R CB 0.308 30.640 30.300 0.054 0.000 0.962 583 R HN 0.586 nan 8.270 nan 0.000 0.428 584 A N 4.481 127.211 122.820 -0.150 0.000 2.842 584 A HA 0.299 4.620 4.320 0.001 0.000 0.339 584 A C -0.400 176.922 177.584 -0.436 0.000 1.177 584 A CA -0.673 51.091 52.037 -0.455 0.000 0.797 584 A CB -0.070 18.738 19.000 -0.319 0.000 1.094 584 A HN 0.899 nan 8.150 nan 0.000 0.474 585 H N 0.972 120.081 119.070 0.065 0.000 2.839 585 H HA -0.172 4.384 4.556 0.001 0.000 0.298 585 H C 0.998 176.372 175.328 0.077 0.000 1.224 585 H CA 1.472 57.559 56.048 0.064 0.000 1.144 585 H CB -2.351 27.431 29.762 0.034 0.000 1.372 585 H HN 0.883 nan 8.280 nan 0.000 0.408 586 T N -3.946 110.704 114.554 0.161 0.000 3.054 586 T HA 0.172 4.523 4.350 0.001 0.000 0.255 586 T C 0.374 175.178 174.700 0.174 0.000 1.035 586 T CA -0.323 61.885 62.100 0.180 0.000 0.941 586 T CB 0.182 69.179 68.868 0.215 0.000 1.026 586 T HN 0.175 nan 8.240 nan 0.000 0.533 587 F N 2.563 122.475 119.950 -0.062 0.000 2.424 587 F HA 0.528 5.055 4.527 0.001 0.000 0.356 587 F C 0.604 176.303 175.800 -0.167 0.000 1.110 587 F CA -2.226 55.581 58.000 -0.321 0.000 1.161 587 F CB 0.662 39.503 39.000 -0.264 0.000 1.115 587 F HN -0.064 nan 8.300 nan 0.000 0.507 588 L N 5.557 126.348 121.223 -0.721 0.000 2.567 588 L HA 0.249 4.589 4.340 0.001 0.000 0.225 588 L C 1.522 178.010 176.870 -0.637 0.000 1.119 588 L CA 0.186 54.727 54.840 -0.499 0.000 0.871 588 L CB -0.745 41.181 42.059 -0.220 0.000 1.036 588 L HN 0.763 nan 8.230 nan 0.000 0.459 589 G N -0.923 106.956 108.800 -1.536 0.000 2.508 589 G HA2 0.067 4.027 3.960 0.001 0.000 0.278 589 G HA3 0.067 4.027 3.960 0.001 0.000 0.278 589 G C -1.082 173.494 174.900 -0.539 0.000 1.389 589 G CA -0.272 44.335 45.100 -0.821 0.000 1.050 589 G HN -0.031 nan 8.290 nan 0.000 0.522 590 D N -0.847 119.436 120.400 -0.196 0.000 2.329 590 D HA 0.368 5.008 4.640 0.001 0.000 0.232 590 D C -1.576 174.792 176.300 0.113 0.000 1.088 590 D CA -2.117 51.729 54.000 -0.257 0.000 0.835 590 D CB 1.920 42.335 40.800 -0.642 0.000 1.078 590 D HN -0.132 nan 8.370 nan 0.000 0.495 591 P HA -0.044 nan 4.420 nan 0.000 0.222 591 P C 0.792 178.108 177.300 0.028 0.000 1.147 591 P CA 0.855 64.035 63.100 0.133 0.000 0.790 591 P CB 0.327 32.087 31.700 0.100 0.000 0.780 592 A N -0.620 122.190 122.820 -0.018 0.000 2.066 592 A HA -0.114 4.206 4.320 0.001 0.000 0.218 592 A C 1.208 178.779 177.584 -0.021 0.000 1.157 592 A CA 1.114 53.132 52.037 -0.032 0.000 0.670 592 A CB -0.561 18.403 19.000 -0.060 0.000 0.804 592 A HN 0.273 nan 8.150 nan 0.000 0.453 593 Q N -1.353 118.439 119.800 -0.013 0.000 2.805 593 Q HA 0.371 4.711 4.340 0.001 0.000 0.360 593 Q C 0.589 176.626 176.000 0.061 0.000 0.832 593 Q CA 0.376 56.187 55.803 0.013 0.000 1.020 593 Q CB 0.274 29.014 28.738 0.003 0.000 1.444 593 Q HN 0.523 nan 8.270 nan 0.000 0.391 594 E N 1.209 121.444 120.200 0.058 0.000 2.301 594 E HA -0.255 4.095 4.350 0.001 0.000 0.202 594 E C 1.001 177.662 176.600 0.101 0.000 1.017 594 E CA 1.978 58.421 56.400 0.072 0.000 0.831 594 E CB -0.392 29.273 29.700 -0.058 0.000 0.742 594 E HN 0.433 nan 8.360 nan 0.000 0.491 595 D N -0.425 120.023 120.400 0.080 0.000 2.367 595 D HA 0.037 4.678 4.640 0.001 0.000 0.207 595 D C 0.020 176.381 176.300 0.101 0.000 1.034 595 D CA -0.011 54.040 54.000 0.084 0.000 0.861 595 D CB 0.348 41.180 40.800 0.053 0.000 0.943 595 D HN 0.392 nan 8.370 nan 0.000 0.515 596 E N 1.258 121.524 120.200 0.110 0.000 2.259 596 E HA 0.150 4.500 4.350 0.001 0.000 0.281 596 E C 0.507 177.202 176.600 0.158 0.000 1.027 596 E CA -0.588 55.881 56.400 0.115 0.000 0.838 596 E CB 1.881 31.643 29.700 0.103 0.000 1.066 596 E HN 0.002 nan 8.360 nan 0.000 0.401 597 I N 3.878 124.527 120.570 0.131 0.000 2.664 597 I HA -0.012 4.158 4.170 0.001 0.000 0.284 597 I C 0.144 176.357 176.117 0.160 0.000 1.154 597 I CA 0.440 61.815 61.300 0.126 0.000 1.402 597 I CB -1.182 36.863 38.000 0.074 0.000 1.395 597 I HN 0.366 nan 8.210 nan 0.000 0.545 598 F N 9.285 129.230 119.950 -0.008 0.000 2.547 598 F HA 0.611 5.138 4.527 0.001 0.000 0.316 598 F C -2.546 173.230 175.800 -0.041 0.000 1.121 598 F CA -2.007 55.973 58.000 -0.032 0.000 0.911 598 F CB 2.073 41.044 39.000 -0.048 0.000 1.179 598 F HN 0.267 nan 8.300 nan 0.000 0.443 599 P HA 0.155 nan 4.420 nan 0.000 0.289 599 P C -1.223 175.849 177.300 -0.381 0.000 1.299 599 P CA -0.477 61.977 63.100 -1.078 0.000 0.766 599 P CB 0.525 31.714 31.700 -0.852 0.000 1.226 600 N N 1.174 119.658 118.700 -0.360 0.000 2.719 600 N HA 0.078 4.818 4.740 0.001 0.000 0.243 600 N C 0.830 176.208 175.510 -0.220 0.000 1.104 600 N CA 0.008 52.932 53.050 -0.211 0.000 0.981 600 N CB -0.194 38.185 38.487 -0.180 0.000 1.290 600 N HN 0.205 nan 8.380 nan 0.000 0.513 601 M N 2.176 121.755 119.600 -0.036 0.000 2.337 601 M HA -0.158 4.323 4.480 0.001 0.000 0.261 601 M C 1.556 177.909 176.300 0.088 0.000 1.067 601 M CA 0.977 56.386 55.300 0.182 0.000 1.074 601 M CB -0.645 32.023 32.600 0.114 0.000 1.395 601 M HN 0.495 nan 8.290 nan 0.000 0.431 602 L N -0.584 120.620 121.223 -0.031 0.000 2.083 602 L HA -0.199 4.141 4.340 0.001 0.000 0.209 602 L C 2.318 179.158 176.870 -0.051 0.000 1.083 602 L CA 0.973 55.785 54.840 -0.045 0.000 0.752 602 L CB -0.704 41.319 42.059 -0.061 0.000 0.899 602 L HN 0.276 nan 8.230 nan 0.000 0.433 603 L N -1.591 119.556 121.223 -0.127 0.000 2.291 603 L HA -0.151 4.189 4.340 0.001 0.000 0.214 603 L C 2.377 179.174 176.870 -0.120 0.000 1.120 603 L CA 0.996 55.741 54.840 -0.159 0.000 0.799 603 L CB -0.399 41.513 42.059 -0.245 0.000 0.925 603 L HN 0.170 nan 8.230 nan 0.000 0.446 604 F N -0.006 119.944 119.950 -0.001 0.000 2.163 604 F HA -0.170 4.357 4.527 0.001 0.000 0.297 604 F C 2.650 178.467 175.800 0.028 0.000 1.094 604 F CA 0.754 58.766 58.000 0.020 0.000 1.290 604 F CB -0.199 38.844 39.000 0.073 0.000 1.017 604 F HN 0.037 nan 8.300 nan 0.000 0.483 605 A N 0.196 123.147 122.820 0.219 0.000 1.877 605 A HA -0.130 4.191 4.320 0.001 0.000 0.216 605 A C 2.342 179.958 177.584 0.052 0.000 1.186 605 A CA 1.657 53.762 52.037 0.112 0.000 0.620 605 A CB -1.272 17.746 19.000 0.031 0.000 0.822 605 A HN 0.321 nan 8.150 nan 0.000 0.443 606 A N 0.012 122.845 122.820 0.021 0.000 1.908 606 A HA 0.079 4.399 4.320 0.001 0.000 0.218 606 A C 2.508 180.104 177.584 0.019 0.000 1.181 606 A CA 2.328 54.365 52.037 0.000 0.000 0.627 606 A CB -1.125 17.862 19.000 -0.022 0.000 0.818 606 A HN 1.184 nan 8.150 nan 0.000 0.445 607 A N -1.496 121.348 122.820 0.039 0.000 1.978 607 A HA -0.172 4.149 4.320 0.001 0.000 0.220 607 A C 1.803 179.418 177.584 0.052 0.000 1.170 607 A CA 1.688 53.755 52.037 0.049 0.000 0.636 607 A CB -0.952 18.099 19.000 0.086 0.000 0.810 607 A HN 0.656 nan 8.150 nan 0.000 0.448 608 C N -0.746 118.591 119.300 0.060 0.000 2.668 608 C HA 0.519 4.979 4.460 0.001 0.000 0.301 608 C C 1.662 176.675 174.990 0.038 0.000 1.351 608 C CA -0.405 58.643 59.018 0.050 0.000 1.757 608 C CB -1.273 26.502 27.740 0.058 0.000 2.179 608 C HN 1.040 nan 8.230 nan 0.000 0.586 609 G N 1.936 110.752 108.800 0.028 0.000 2.305 609 G HA2 -0.269 3.691 3.960 0.001 0.000 0.287 609 G HA3 -0.269 3.691 3.960 0.001 0.000 0.287 609 G C -0.180 174.729 174.900 0.015 0.000 1.036 609 G CA 0.125 45.236 45.100 0.019 0.000 0.887 609 G HN 0.664 nan 8.290 nan 0.000 0.505 610 I N 1.802 122.376 120.570 0.006 0.000 2.362 610 I HA 0.280 4.451 4.170 0.001 0.000 0.289 610 I C -1.683 174.383 176.117 -0.084 0.000 0.994 610 I CA -2.538 58.755 61.300 -0.012 0.000 1.158 610 I CB 1.956 39.964 38.000 0.013 0.000 1.315 610 I HN -0.065 nan 8.210 nan 0.000 0.451 611 P HA 0.164 nan 4.420 nan 0.000 0.265 611 P C -0.857 176.077 177.300 -0.609 0.000 1.193 611 P CA 0.066 63.022 63.100 -0.240 0.000 0.765 611 P CB 1.295 32.934 31.700 -0.102 0.000 0.823 612 A N 2.114 124.625 122.820 -0.515 0.000 2.593 612 A HA 0.892 5.213 4.320 0.001 0.000 0.290 612 A C -1.430 175.979 177.584 -0.291 0.000 1.126 612 A CA -0.326 51.380 52.037 -0.551 0.000 0.695 612 A CB 1.801 20.643 19.000 -0.264 0.000 1.290 612 A HN 0.669 nan 8.150 nan 0.000 0.414 613 A N -0.010 122.724 122.820 -0.143 0.000 2.605 613 A HA 0.791 5.112 4.320 0.001 0.000 0.294 613 A C -0.811 176.788 177.584 0.025 0.000 1.062 613 A CA -0.478 51.563 52.037 0.006 0.000 0.682 613 A CB 1.196 20.276 19.000 0.133 0.000 1.278 613 A HN 1.225 nan 8.150 nan 0.000 0.410 614 R N 0.202 120.716 120.500 0.023 0.000 2.664 614 R HA 0.761 5.101 4.340 0.001 0.000 0.286 614 R C -1.649 174.673 176.300 0.036 0.000 0.967 614 R CA -0.424 55.689 56.100 0.021 0.000 0.933 614 R CB 1.904 32.210 30.300 0.009 0.000 1.146 614 R HN 1.077 nan 8.270 nan 0.000 0.468 615 V N 3.594 123.530 119.914 0.036 0.000 2.686 615 V HA 0.412 4.532 4.120 0.001 0.000 0.306 615 V C -0.625 175.490 176.094 0.035 0.000 1.065 615 V CA -0.135 62.189 62.300 0.039 0.000 0.894 615 V CB 2.215 34.065 31.823 0.045 0.000 1.004 615 V HN 1.043 nan 8.190 nan 0.000 0.424 616 T N 4.597 119.171 114.554 0.034 0.000 2.964 616 T HA 0.285 4.635 4.350 0.001 0.000 0.250 616 T C 0.339 175.057 174.700 0.031 0.000 0.982 616 T CA 0.079 62.199 62.100 0.034 0.000 0.959 616 T CB 0.155 69.043 68.868 0.034 0.000 1.141 616 T HN 0.560 nan 8.240 nan 0.000 0.494 617 K N 2.190 122.607 120.400 0.028 0.000 2.211 617 K HA 0.357 4.677 4.320 0.001 0.000 0.275 617 K C 0.884 177.499 176.600 0.025 0.000 1.024 617 K CA -0.372 55.928 56.287 0.022 0.000 0.887 617 K CB 1.825 34.336 32.500 0.018 0.000 1.084 617 K HN -0.010 nan 8.250 nan 0.000 0.463 618 K N 2.525 122.932 120.400 0.011 0.000 2.218 618 K HA -0.236 4.084 4.320 0.001 0.000 0.205 618 K C 1.539 178.159 176.600 0.033 0.000 1.046 618 K CA 1.700 57.993 56.287 0.010 0.000 0.933 618 K CB 0.000 32.450 32.500 -0.083 0.000 0.728 618 K HN 0.725 nan 8.250 nan 0.000 0.454 619 A N 1.057 123.886 122.820 0.016 0.000 1.968 619 A HA -0.114 4.207 4.320 0.001 0.000 0.217 619 A C 1.295 178.903 177.584 0.039 0.000 1.169 619 A CA 1.590 53.642 52.037 0.024 0.000 0.638 619 A CB -0.105 18.900 19.000 0.009 0.000 0.812 619 A HN 0.383 nan 8.150 nan 0.000 0.446 620 D N -0.674 119.749 120.400 0.038 0.000 2.339 620 D HA 0.038 4.678 4.640 0.001 0.000 0.217 620 D C 1.580 177.908 176.300 0.046 0.000 1.050 620 D CA 0.055 54.078 54.000 0.038 0.000 0.856 620 D CB 0.164 40.983 40.800 0.032 0.000 0.922 620 D HN 0.335 nan 8.370 nan 0.000 0.518 621 L N 1.518 122.780 121.223 0.065 0.000 1.989 621 L HA -0.137 4.203 4.340 0.001 0.000 0.211 621 L C 2.343 179.240 176.870 0.045 0.000 1.071 621 L CA 1.730 56.611 54.840 0.069 0.000 0.749 621 L CB -0.368 41.766 42.059 0.124 0.000 0.890 621 L HN -0.159 nan 8.230 nan 0.000 0.431 622 R N -0.581 119.951 120.500 0.053 0.000 2.103 622 R HA -0.251 4.090 4.340 0.001 0.000 0.242 622 R C 2.341 178.640 176.300 -0.000 0.000 1.142 622 R CA 2.082 58.191 56.100 0.015 0.000 0.960 622 R CB -0.310 30.007 30.300 0.028 0.000 0.858 622 R HN 0.624 nan 8.270 nan 0.000 0.439 623 E N -0.599 119.606 120.200 0.009 0.000 2.152 623 E HA -0.132 4.218 4.350 0.001 0.000 0.192 623 E C 1.729 178.323 176.600 -0.011 0.000 0.983 623 E CA 0.891 57.290 56.400 -0.001 0.000 0.818 623 E CB -0.017 29.688 29.700 0.009 0.000 0.758 623 E HN 0.467 nan 8.360 nan 0.000 0.467 624 A N 1.080 123.902 122.820 0.004 0.000 1.873 624 A HA -0.141 4.179 4.320 0.001 0.000 0.215 624 A C 2.127 179.689 177.584 -0.037 0.000 1.186 624 A CA 1.155 53.197 52.037 0.007 0.000 0.616 624 A CB -0.558 18.466 19.000 0.040 0.000 0.823 624 A HN 0.304 nan 8.150 nan 0.000 0.442 625 I N -0.796 119.755 120.570 -0.031 0.000 2.226 625 I HA -0.271 3.899 4.170 0.001 0.000 0.245 625 I C 2.757 178.819 176.117 -0.092 0.000 1.100 625 I CA 1.756 63.025 61.300 -0.053 0.000 1.374 625 I CB -0.306 37.674 38.000 -0.034 0.000 1.057 625 I HN 0.402 nan 8.210 nan 0.000 0.413 626 Q N 0.914 120.670 119.800 -0.073 0.000 2.084 626 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 626 Q C 2.076 178.002 176.000 -0.122 0.000 0.978 626 Q CA 2.418 58.175 55.803 -0.077 0.000 0.844 626 Q CB -0.431 28.278 28.738 -0.049 0.000 0.898 626 Q HN 0.395 nan 8.270 nan 0.000 0.426 627 T N 0.644 115.110 114.554 -0.146 0.000 2.708 627 T HA -0.197 4.153 4.350 0.001 0.000 0.266 627 T C 1.663 176.085 174.700 -0.462 0.000 1.037 627 T CA 1.565 63.539 62.100 -0.210 0.000 1.146 627 T CB -0.363 68.419 68.868 -0.144 0.000 0.865 627 T HN 0.461 nan 8.240 nan 0.000 0.435 628 M N 0.665 119.880 119.600 -0.642 0.000 2.082 628 M HA -0.114 4.367 4.480 0.001 0.000 0.258 628 M C 1.997 178.018 176.300 -0.466 0.000 1.069 628 M CA 1.791 56.488 55.300 -1.005 0.000 1.102 628 M CB -0.360 31.961 32.600 -0.465 0.000 1.336 628 M HN 0.213 nan 8.290 nan 0.000 0.404 629 L N -0.080 121.000 121.223 -0.238 0.000 2.046 629 L HA -0.230 4.110 4.340 0.001 0.000 0.208 629 L C 2.071 178.883 176.870 -0.096 0.000 1.077 629 L CA 1.213 55.984 54.840 -0.115 0.000 0.747 629 L CB -0.961 41.059 42.059 -0.065 0.000 0.896 629 L HN 0.348 nan 8.230 nan 0.000 0.432 630 D N -0.881 119.450 120.400 -0.115 0.000 2.149 630 D HA -0.065 4.575 4.640 0.001 0.000 0.201 630 D C 0.835 177.102 176.300 -0.055 0.000 0.972 630 D CA 0.738 54.697 54.000 -0.070 0.000 0.835 630 D CB -0.264 40.500 40.800 -0.060 0.000 0.966 630 D HN 0.219 nan 8.370 nan 0.000 0.476 631 T N 3.989 118.485 114.554 -0.097 0.000 2.765 631 T HA 0.140 4.490 4.350 0.001 0.000 0.284 631 T C -2.340 172.380 174.700 0.035 0.000 0.946 631 T CA -0.967 61.126 62.100 -0.013 0.000 1.185 631 T CB 0.846 69.729 68.868 0.025 0.000 0.887 631 T HN -0.048 nan 8.240 nan 0.000 0.532 632 P HA 0.326 nan 4.420 nan 0.000 0.266 632 P C 0.835 178.182 177.300 0.078 0.000 1.195 632 P CA 0.833 63.964 63.100 0.051 0.000 0.768 632 P CB 0.306 32.032 31.700 0.043 0.000 0.838 633 G N 3.070 111.915 108.800 0.074 0.000 2.660 633 G HA2 -0.117 3.844 3.960 0.001 0.000 0.215 633 G HA3 -0.117 3.844 3.960 0.001 0.000 0.215 633 G C -2.971 171.998 174.900 0.115 0.000 1.345 633 G CA -0.986 44.165 45.100 0.085 0.000 0.877 633 G HN 0.417 nan 8.290 nan 0.000 0.549 634 P HA 0.521 nan 4.420 nan 0.000 0.272 634 P C -0.858 176.562 177.300 0.200 0.000 1.230 634 P CA 0.208 63.386 63.100 0.131 0.000 0.788 634 P CB 0.492 32.248 31.700 0.094 0.000 0.949 635 Y N 1.185 121.510 120.300 0.042 0.000 2.474 635 Y HA 0.466 5.017 4.550 0.001 0.000 0.326 635 Y C -1.941 173.974 175.900 0.025 0.000 1.160 635 Y CA -1.175 56.945 58.100 0.033 0.000 1.056 635 Y CB 1.345 39.820 38.460 0.026 0.000 1.330 635 Y HN 0.235 nan 8.280 nan 0.000 0.447 636 L N 7.174 128.299 121.223 -0.165 0.000 2.343 636 L HA 0.632 4.972 4.340 0.001 0.000 0.278 636 L C -2.172 174.677 176.870 -0.035 0.000 0.996 636 L CA -0.721 54.082 54.840 -0.060 0.000 0.831 636 L CB 1.275 43.271 42.059 -0.105 0.000 1.232 636 L HN 0.596 nan 8.230 nan 0.000 0.413 637 L N 4.805 126.096 121.223 0.113 0.000 2.277 637 L HA 0.497 4.837 4.340 0.001 0.000 0.284 637 L C -0.755 176.115 176.870 -0.000 0.000 1.028 637 L CA -0.040 54.876 54.840 0.127 0.000 0.835 637 L CB 0.921 43.089 42.059 0.182 0.000 1.215 637 L HN 0.677 nan 8.230 nan 0.000 0.425 638 D N 3.977 124.361 120.400 -0.026 0.000 2.339 638 D HA 0.222 4.863 4.640 0.001 0.000 0.241 638 D C -0.860 175.433 176.300 -0.012 0.000 1.183 638 D CA 0.020 53.986 54.000 -0.056 0.000 0.859 638 D CB 0.891 41.655 40.800 -0.059 0.000 1.067 638 D HN 0.290 nan 8.370 nan 0.000 0.484 639 V N 5.951 125.859 119.914 -0.010 0.000 2.318 639 V HA 0.215 4.335 4.120 0.001 0.000 0.271 639 V C 0.307 176.416 176.094 0.024 0.000 1.030 639 V CA -0.916 61.393 62.300 0.014 0.000 0.844 639 V CB 0.879 32.712 31.823 0.018 0.000 1.015 639 V HN 0.456 nan 8.190 nan 0.000 0.460 640 I N 4.344 124.935 120.570 0.034 0.000 2.496 640 I HA 0.312 4.483 4.170 0.001 0.000 0.285 640 I C 0.268 176.418 176.117 0.055 0.000 1.080 640 I CA 0.260 61.591 61.300 0.053 0.000 1.404 640 I CB 0.657 38.691 38.000 0.056 0.000 1.403 640 I HN 0.571 nan 8.210 nan 0.000 0.539 641 C N 7.026 126.372 119.300 0.077 0.000 2.802 641 C HA 0.496 4.957 4.460 0.001 0.000 0.307 641 C C -2.308 172.738 174.990 0.094 0.000 1.222 641 C CA -1.209 57.846 59.018 0.062 0.000 1.580 641 C CB 2.271 30.043 27.740 0.053 0.000 2.119 641 C HN 0.588 nan 8.230 nan 0.000 0.479 642 P HA 0.128 nan 4.420 nan 0.000 0.276 642 P C 0.528 177.839 177.300 0.019 0.000 1.243 642 P CA 0.451 63.555 63.100 0.007 0.000 0.768 642 P CB 0.346 31.971 31.700 -0.125 0.000 0.856 643 H N 4.290 123.370 119.070 0.016 0.000 2.521 643 H HA -0.103 4.454 4.556 0.001 0.000 0.286 643 H C 0.920 176.236 175.328 -0.020 0.000 1.034 643 H CA 0.862 56.913 56.048 0.005 0.000 1.278 643 H CB -0.318 29.357 29.762 -0.145 0.000 1.386 643 H HN 0.401 nan 8.280 nan 0.000 0.567 644 Q N 1.209 120.677 119.800 -0.553 0.000 2.515 644 Q HA 0.025 4.366 4.340 0.001 0.000 0.214 644 Q C -0.119 175.790 176.000 -0.151 0.000 0.971 644 Q CA 0.219 55.789 55.803 -0.388 0.000 0.952 644 Q CB 0.038 28.468 28.738 -0.513 0.000 0.999 644 Q HN 0.422 nan 8.270 nan 0.000 0.524 645 E N 1.658 121.875 120.200 0.029 0.000 2.398 645 E HA 0.137 4.488 4.350 0.001 0.000 0.263 645 E C -0.617 176.287 176.600 0.507 0.000 1.046 645 E CA 0.220 56.746 56.400 0.210 0.000 0.908 645 E CB 0.552 30.382 29.700 0.216 0.000 0.963 645 E HN 0.318 nan 8.360 nan 0.000 0.431 646 H N -0.187 119.080 119.070 0.329 0.000 2.637 646 H HA 0.334 4.890 4.556 0.001 0.000 0.363 646 H C -0.619 174.955 175.328 0.410 0.000 1.131 646 H CA -1.044 55.183 56.048 0.298 0.000 1.183 646 H CB 1.807 31.671 29.762 0.169 0.000 1.637 646 H HN 0.136 nan 8.280 nan 0.000 0.531 647 V N 5.313 125.407 119.914 0.299 0.000 2.488 647 V HA 0.185 4.305 4.120 0.001 0.000 0.277 647 V C 0.072 176.305 176.094 0.232 0.000 1.046 647 V CA 0.057 62.461 62.300 0.174 0.000 0.986 647 V CB 0.481 32.025 31.823 -0.464 0.000 0.989 647 V HN 0.430 nan 8.190 nan 0.000 0.475 648 L N 6.609 128.035 121.223 0.338 0.000 2.376 648 L HA 0.609 4.949 4.340 0.001 0.000 0.258 648 L C -2.333 174.717 176.870 0.300 0.000 1.013 648 L CA -1.796 53.230 54.840 0.311 0.000 0.822 648 L CB 3.039 45.269 42.059 0.286 0.000 1.388 648 L HN 0.413 nan 8.230 nan 0.000 0.413 649 P HA 0.257 nan 4.420 nan 0.000 0.289 649 P C -1.332 176.116 177.300 0.247 0.000 1.299 649 P CA -0.493 62.737 63.100 0.217 0.000 0.766 649 P CB 1.311 33.112 31.700 0.169 0.000 1.226 650 M N 0.382 120.075 119.600 0.155 0.000 2.255 650 M HA 0.381 4.861 4.480 0.001 0.000 0.275 650 M C -1.769 174.536 176.300 0.008 0.000 1.050 650 M CA -0.543 54.812 55.300 0.091 0.000 0.978 650 M CB 1.306 33.997 32.600 0.152 0.000 1.761 650 M HN 0.130 nan 8.290 nan 0.000 0.479 651 I N 7.588 128.134 120.570 -0.040 0.000 2.307 651 I HA 0.396 4.566 4.170 0.001 0.000 0.289 651 I C -1.922 174.175 176.117 -0.033 0.000 1.021 651 I CA -1.816 59.470 61.300 -0.024 0.000 1.224 651 I CB 1.273 39.274 38.000 0.003 0.000 1.376 651 I HN 0.463 nan 8.210 nan 0.000 0.470 652 P HA 0.010 nan 4.420 nan 0.000 0.269 652 P C -0.190 177.102 177.300 -0.013 0.000 1.217 652 P CA -0.172 62.903 63.100 -0.041 0.000 0.783 652 P CB 0.504 32.175 31.700 -0.050 0.000 0.898 653 S N 0.596 116.313 115.700 0.027 0.000 2.563 653 S HA 0.250 4.720 4.470 0.001 0.000 0.294 653 S C 1.569 176.173 174.600 0.006 0.000 1.279 653 S CA 1.144 59.373 58.200 0.047 0.000 1.069 653 S CB -0.855 62.408 63.200 0.105 0.000 0.828 653 S HN 0.934 nan 8.310 nan 0.000 0.497 654 G N 2.482 111.285 108.800 0.004 0.000 2.168 654 G HA2 -0.193 3.767 3.960 0.001 0.000 0.257 654 G HA3 -0.193 3.767 3.960 0.001 0.000 0.257 654 G C 0.393 175.296 174.900 0.006 0.000 0.997 654 G CA 0.056 45.157 45.100 0.002 0.000 0.708 654 G HN 1.085 nan 8.290 nan 0.000 0.520 655 G N -1.612 107.193 108.800 0.008 0.000 2.537 655 G HA2 0.687 4.647 3.960 0.001 0.000 0.297 655 G HA3 0.687 4.647 3.960 0.001 0.000 0.297 655 G C -0.044 174.879 174.900 0.038 0.000 1.310 655 G CA 0.487 45.595 45.100 0.014 0.000 1.027 655 G HN 0.508 nan 8.290 nan 0.000 0.505 656 T N -0.742 113.838 114.554 0.043 0.000 2.940 656 T HA 0.258 4.608 4.350 0.001 0.000 0.288 656 T C 0.640 175.401 174.700 0.102 0.000 1.045 656 T CA -0.328 61.819 62.100 0.078 0.000 1.018 656 T CB 1.649 70.555 68.868 0.062 0.000 1.151 656 T HN 0.343 nan 8.240 nan 0.000 0.529 657 F N 1.786 121.724 119.950 -0.019 0.000 2.307 657 F HA -0.080 4.447 4.527 0.001 0.000 0.301 657 F C 1.712 177.508 175.800 -0.008 0.000 1.076 657 F CA 1.309 59.294 58.000 -0.026 0.000 1.383 657 F CB -0.222 38.733 39.000 -0.075 0.000 1.055 657 F HN 0.427 nan 8.300 nan 0.000 0.526 658 N N 0.194 118.862 118.700 -0.053 0.000 2.461 658 N HA -0.076 4.664 4.740 0.001 0.000 0.188 658 N C 0.414 175.858 175.510 -0.110 0.000 1.134 658 N CA 0.825 53.804 53.050 -0.119 0.000 0.878 658 N CB -0.196 38.289 38.487 -0.003 0.000 0.972 658 N HN 0.470 nan 8.380 nan 0.000 0.456 659 D N 0.203 120.549 120.400 -0.091 0.000 2.398 659 D HA 0.019 4.659 4.640 0.001 0.000 0.210 659 D C 0.471 176.728 176.300 -0.072 0.000 1.094 659 D CA -0.092 53.873 54.000 -0.057 0.000 0.839 659 D CB 1.061 41.849 40.800 -0.021 0.000 0.963 659 D HN -0.091 nan 8.370 nan 0.000 0.506 660 V N 2.096 121.927 119.914 -0.138 0.000 2.644 660 V HA -0.046 4.075 4.120 0.001 0.000 0.305 660 V C 0.101 176.160 176.094 -0.059 0.000 1.053 660 V CA 0.229 62.461 62.300 -0.113 0.000 1.186 660 V CB 0.112 31.801 31.823 -0.223 0.000 0.895 660 V HN -0.017 nan 8.190 nan 0.000 0.490 661 I N 6.607 127.175 120.570 -0.004 0.000 2.331 661 I HA 0.299 4.470 4.170 0.001 0.000 0.292 661 I C 1.182 177.341 176.117 0.071 0.000 0.998 661 I CA 0.067 61.382 61.300 0.025 0.000 1.267 661 I CB 1.597 39.611 38.000 0.023 0.000 1.386 661 I HN 0.825 nan 8.210 nan 0.000 0.476 662 T N 0.570 115.175 114.554 0.085 0.000 3.010 662 T HA 0.359 4.709 4.350 0.001 0.000 0.257 662 T C 0.388 175.160 174.700 0.120 0.000 1.020 662 T CA -0.133 62.046 62.100 0.131 0.000 0.938 662 T CB 0.239 69.212 68.868 0.176 0.000 1.049 662 T HN 0.589 nan 8.240 nan 0.000 0.522 663 E N -0.241 120.015 120.200 0.093 0.000 2.413 663 E HA 0.594 4.944 4.350 0.001 0.000 0.277 663 E C -0.681 175.964 176.600 0.074 0.000 0.958 663 E CA -0.995 55.455 56.400 0.083 0.000 0.779 663 E CB 2.167 31.897 29.700 0.050 0.000 1.278 663 E HN 0.454 nan 8.360 nan 0.000 0.456 664 G N 1.647 110.489 108.800 0.069 0.000 2.428 664 G HA2 0.263 4.223 3.960 0.001 0.000 0.681 664 G HA3 0.263 4.223 3.960 0.001 0.000 0.681 664 G C -1.555 173.339 174.900 -0.011 0.000 1.340 664 G CA -0.234 44.883 45.100 0.030 0.000 0.915 664 G HN 0.713 nan 8.290 nan 0.000 0.645 665 D N -1.840 118.422 120.400 -0.231 0.000 3.103 665 D HA 0.618 5.258 4.640 0.001 0.000 0.337 665 D C 0.866 176.690 176.300 -0.792 0.000 1.356 665 D CA 0.332 53.889 54.000 -0.738 0.000 0.951 665 D CB 0.365 40.961 40.800 -0.340 0.000 1.438 665 D HN 1.386 nan 8.370 nan 0.000 0.562 666 G N -0.735 107.647 108.800 -0.697 0.000 3.702 666 G HA2 0.341 4.301 3.960 0.001 0.000 0.288 666 G HA3 0.341 4.301 3.960 0.001 0.000 0.288 666 G C -0.016 174.737 174.900 -0.245 0.000 1.193 666 G CA -0.420 44.480 45.100 -0.335 0.000 0.952 666 G HN 0.202 nan 8.290 nan 0.000 0.544 667 R N 0.000 120.356 120.500 -0.240 0.000 2.786 667 R HA 0.000 4.340 4.340 0.001 0.000 0.208 667 R CA 0.000 55.983 56.100 -0.196 0.000 0.921 667 R CB 0.000 30.161 30.300 -0.232 0.000 0.687 667 R HN 0.000 nan 8.270 nan 0.000 0.535