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 3izj_1_I DATA FIRST_RESID 4105 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 4105 V HA 0.000 nan 4.120 nan 0.000 0.244 4105 V C 0.000 176.090 176.094 -0.007 0.000 1.182 4105 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 4105 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 4106 L N 2.643 123.860 121.223 -0.010 0.000 2.375 4106 L HA 0.475 4.815 4.340 0.000 0.000 0.271 4106 L C -2.074 174.789 176.870 -0.011 0.000 1.107 4106 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 4106 L CB 0.354 42.404 42.059 -0.015 0.000 1.146 4106 L HN 0.137 nan 8.230 nan 0.000 0.447 4107 P HA 0.028 nan 4.420 nan 0.000 0.265 4107 P C -0.945 176.348 177.300 -0.012 0.000 1.187 4107 P CA -0.198 62.898 63.100 -0.008 0.000 0.766 4107 P CB 0.369 32.066 31.700 -0.005 0.000 0.820 4108 E N 2.812 123.006 120.200 -0.011 0.000 2.417 4108 E HA 0.076 4.426 4.350 0.000 0.000 0.261 4108 E C 0.586 177.178 176.600 -0.013 0.000 1.000 4108 E CA 0.590 56.982 56.400 -0.014 0.000 0.919 4108 E CB -0.049 29.644 29.700 -0.012 0.000 0.955 4108 E HN 0.347 nan 8.360 nan 0.000 0.455 4109 N N 0.596 119.285 118.700 -0.019 0.000 2.990 4109 N HA -0.177 4.563 4.740 0.000 0.000 0.163 4109 N C -0.215 175.283 175.510 -0.020 0.000 1.452 4109 N CA 0.523 53.563 53.050 -0.017 0.000 1.624 4109 N CB -1.038 37.444 38.487 -0.009 0.000 1.088 4109 N HN 0.552 nan 8.380 nan 0.000 0.695 4110 M N 3.011 122.599 119.600 -0.020 0.000 2.248 4110 M HA 0.045 4.525 4.480 0.000 0.000 0.345 4110 M C 0.327 176.598 176.300 -0.048 0.000 1.243 4110 M CA 0.413 55.700 55.300 -0.021 0.000 1.090 4110 M CB 0.458 33.049 32.600 -0.015 0.000 1.683 4110 M HN 0.100 nan 8.290 nan 0.000 0.450 4111 K N 5.162 125.529 120.400 -0.056 0.000 2.164 4111 K HA 0.599 4.919 4.320 0.000 0.000 0.258 4111 K C -1.123 175.372 176.600 -0.175 0.000 0.951 4111 K CA -0.958 55.245 56.287 -0.140 0.000 0.844 4111 K CB 2.026 34.447 32.500 -0.132 0.000 1.099 4111 K HN 0.792 nan 8.250 nan 0.000 0.435 4112 R N 2.651 122.962 120.500 -0.316 0.000 2.673 4112 R HA 0.306 4.646 4.340 0.000 0.000 0.281 4112 R C -1.656 174.363 176.300 -0.467 0.000 0.991 4112 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 4112 R CB 1.318 31.552 30.300 -0.111 0.000 1.201 4112 R HN 0.735 nan 8.270 nan 0.000 0.457 4113 Y N 4.270 124.554 120.300 -0.026 0.000 2.429 4113 Y HA 0.547 5.097 4.550 0.000 0.000 0.342 4113 Y C 0.377 176.260 175.900 -0.028 0.000 1.004 4113 Y CA -0.875 57.205 58.100 -0.033 0.000 1.075 4113 Y CB 2.127 40.558 38.460 -0.048 0.000 1.214 4113 Y HN 0.389 nan 8.280 nan 0.000 0.455 4114 M N 1.082 120.745 119.600 0.105 0.000 2.465 4114 M HA 0.772 5.252 4.480 0.000 0.000 0.284 4114 M C 0.043 176.362 176.300 0.031 0.000 1.212 4114 M CA -0.297 55.032 55.300 0.048 0.000 0.910 4114 M CB 1.274 33.883 32.600 0.015 0.000 1.725 4114 M HN 0.835 nan 8.290 nan 0.000 0.477 4115 G N 3.240 112.047 108.800 0.011 0.000 2.591 4115 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 4115 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 4115 G C 0.563 175.457 174.900 -0.010 0.000 1.195 4115 G CA 0.829 45.923 45.100 -0.009 0.000 0.989 4115 G HN 0.944 nan 8.290 nan 0.000 0.551 4116 R N 0.749 121.241 120.500 -0.013 0.000 2.237 4116 R HA 0.050 4.390 4.340 0.000 0.000 0.219 4116 R C 1.963 178.265 176.300 0.004 0.000 1.080 4116 R CA 1.259 57.351 56.100 -0.014 0.000 0.995 4116 R CB -0.198 30.092 30.300 -0.017 0.000 0.875 4116 R HN 0.500 nan 8.270 nan 0.000 0.462 4117 D N 0.591 121.009 120.400 0.030 0.000 2.162 4117 D HA -0.040 4.600 4.640 0.000 0.000 0.203 4117 D C 1.801 178.155 176.300 0.090 0.000 0.967 4117 D CA 1.209 55.256 54.000 0.078 0.000 0.840 4117 D CB -0.119 40.750 40.800 0.115 0.000 0.972 4117 D HN 0.182 nan 8.370 nan 0.000 0.482 4118 A N 0.923 123.792 122.820 0.081 0.000 1.933 4118 A HA -0.184 4.136 4.320 0.000 0.000 0.218 4118 A C 2.076 179.630 177.584 -0.051 0.000 1.175 4118 A CA 1.198 53.259 52.037 0.039 0.000 0.628 4118 A CB -0.317 18.712 19.000 0.049 0.000 0.814 4118 A HN 0.083 nan 8.150 nan 0.000 0.444 4119 Q N -0.807 118.972 119.800 -0.035 0.000 2.123 4119 Q HA -0.134 4.206 4.340 0.000 0.000 0.199 4119 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 4119 Q CA 1.550 57.325 55.803 -0.047 0.000 0.845 4119 Q CB -0.383 28.332 28.738 -0.038 0.000 0.907 4119 Q HN 0.628 nan 8.270 nan 0.000 0.439 4120 R N 1.033 121.503 120.500 -0.051 0.000 2.083 4120 R HA -0.079 4.261 4.340 0.000 0.000 0.237 4120 R C 2.096 178.328 176.300 -0.113 0.000 1.137 4120 R CA 1.488 57.555 56.100 -0.055 0.000 0.951 4120 R CB -0.599 29.688 30.300 -0.023 0.000 0.851 4120 R HN 0.181 nan 8.270 nan 0.000 0.434 4121 M N 0.451 119.928 119.600 -0.206 0.000 2.132 4121 M HA -0.118 4.362 4.480 0.000 0.000 0.263 4121 M C 0.985 177.081 176.300 -0.340 0.000 1.065 4121 M CA 1.792 56.851 55.300 -0.402 0.000 1.122 4121 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 4121 M HN 0.154 nan 8.290 nan 0.000 0.411 4122 N N 0.996 119.553 118.700 -0.239 0.000 2.166 4122 N HA -0.110 4.630 4.740 0.000 0.000 0.186 4122 N C 1.739 177.203 175.510 -0.078 0.000 1.019 4122 N CA 1.334 54.297 53.050 -0.145 0.000 0.856 4122 N CB -0.399 38.031 38.487 -0.096 0.000 0.993 4122 N HN 0.359 nan 8.380 nan 0.000 0.426 4123 I N 1.024 121.555 120.570 -0.065 0.000 2.252 4123 I HA -0.134 4.036 4.170 0.000 0.000 0.245 4123 I C 2.191 178.296 176.117 -0.020 0.000 1.102 4123 I CA 0.682 61.965 61.300 -0.027 0.000 1.385 4123 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 4123 I HN 0.101 nan 8.210 nan 0.000 0.414 4124 L N 0.585 121.785 121.223 -0.038 0.000 2.083 4124 L HA -0.180 4.160 4.340 0.000 0.000 0.209 4124 L C 2.805 179.705 176.870 0.050 0.000 1.083 4124 L CA 1.242 56.080 54.840 -0.005 0.000 0.752 4124 L CB -0.633 41.413 42.059 -0.022 0.000 0.899 4124 L HN 0.183 nan 8.230 nan 0.000 0.433 4125 A N 0.316 123.165 122.820 0.049 0.000 1.858 4125 A HA -0.139 4.181 4.320 0.000 0.000 0.216 4125 A C 2.396 180.029 177.584 0.082 0.000 1.190 4125 A CA 1.866 54.013 52.037 0.183 0.000 0.617 4125 A CB -1.322 17.741 19.000 0.104 0.000 0.827 4125 A HN 0.424 nan 8.150 nan 0.000 0.443 4126 G N -0.911 107.910 108.800 0.035 0.000 2.408 4126 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 4126 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 4126 G C 1.700 176.607 174.900 0.013 0.000 1.150 4126 G CA 1.173 46.285 45.100 0.020 0.000 0.776 4126 G HN 0.514 nan 8.290 nan 0.000 0.542 4127 R N 0.516 121.024 120.500 0.013 0.000 2.081 4127 R HA 0.094 4.434 4.340 0.000 0.000 0.235 4127 R C 2.433 178.736 176.300 0.006 0.000 1.131 4127 R CA 1.127 57.231 56.100 0.006 0.000 0.960 4127 R CB -0.591 29.712 30.300 0.006 0.000 0.856 4127 R HN 0.427 nan 8.270 nan 0.000 0.436 4128 I N 0.069 120.649 120.570 0.016 0.000 2.202 4128 I HA -0.249 3.921 4.170 0.000 0.000 0.242 4128 I C 1.786 177.900 176.117 -0.005 0.000 1.091 4128 I CA 0.766 62.071 61.300 0.008 0.000 1.368 4128 I CB -0.266 37.744 38.000 0.016 0.000 1.058 4128 I HN 0.144 nan 8.210 nan 0.000 0.410 4129 I N 1.197 121.766 120.570 -0.002 0.000 2.163 4129 I HA -0.303 3.867 4.170 0.000 0.000 0.243 4129 I C 2.817 178.927 176.117 -0.013 0.000 1.085 4129 I CA 1.916 63.210 61.300 -0.010 0.000 1.347 4129 I CB -1.490 36.507 38.000 -0.005 0.000 1.044 4129 I HN 0.204 nan 8.210 nan 0.000 0.408 4130 A N 0.191 123.005 122.820 -0.010 0.000 1.930 4130 A HA -0.214 4.106 4.320 0.000 0.000 0.217 4130 A C 2.260 179.833 177.584 -0.019 0.000 1.175 4130 A CA 1.681 53.708 52.037 -0.016 0.000 0.627 4130 A CB -0.501 18.488 19.000 -0.017 0.000 0.815 4130 A HN 0.407 nan 8.150 nan 0.000 0.443 4131 E N 0.329 120.520 120.200 -0.015 0.000 2.110 4131 E HA -0.146 4.204 4.350 0.000 0.000 0.193 4131 E C 2.040 178.629 176.600 -0.019 0.000 0.988 4131 E CA 2.222 58.612 56.400 -0.016 0.000 0.804 4131 E CB -0.439 29.255 29.700 -0.011 0.000 0.745 4131 E HN 0.663 nan 8.360 nan 0.000 0.458 4132 T N -2.647 111.896 114.554 -0.019 0.000 2.976 4132 T HA 0.026 4.376 4.350 0.000 0.000 0.257 4132 T C 1.958 176.645 174.700 -0.022 0.000 1.051 4132 T CA 0.806 62.894 62.100 -0.021 0.000 1.141 4132 T CB -0.410 68.444 68.868 -0.023 0.000 0.881 4132 T HN 0.034 nan 8.240 nan 0.000 0.461 4133 V N 2.855 122.756 119.914 -0.021 0.000 2.788 4133 V HA 0.031 4.151 4.120 0.000 0.000 0.251 4133 V C 2.886 178.966 176.094 -0.024 0.000 1.068 4133 V CA 1.421 63.708 62.300 -0.022 0.000 1.090 4133 V CB -0.584 31.227 31.823 -0.020 0.000 0.710 4133 V HN 0.648 nan 8.190 nan 0.000 0.467 4134 R N 0.987 121.471 120.500 -0.026 0.000 2.200 4134 R HA -0.115 4.225 4.340 0.000 0.000 0.234 4134 R C 1.912 178.193 176.300 -0.031 0.000 1.127 4134 R CA 1.773 57.855 56.100 -0.030 0.000 0.989 4134 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 4134 R HN 0.628 nan 8.270 nan 0.000 0.459 4135 S N 0.239 115.922 115.700 -0.029 0.000 2.595 4135 S HA -0.084 4.386 4.470 0.000 0.000 0.235 4135 S C 1.654 176.235 174.600 -0.031 0.000 0.974 4135 S CA 0.874 59.056 58.200 -0.031 0.000 0.942 4135 S CB -0.067 63.116 63.200 -0.028 0.000 0.766 4135 S HN 0.610 nan 8.310 nan 0.000 0.536 4136 T N -1.166 113.370 114.554 -0.029 0.000 3.037 4136 T HA 0.311 4.661 4.350 0.000 0.000 0.251 4136 T C 0.421 175.103 174.700 -0.030 0.000 1.079 4136 T CA -0.475 61.608 62.100 -0.027 0.000 1.067 4136 T CB -0.468 68.387 68.868 -0.022 0.000 0.948 4136 T HN 0.276 nan 8.240 nan 0.000 0.496 4137 L N 2.896 124.099 121.223 -0.034 0.000 2.462 4137 L HA 0.516 4.856 4.340 0.000 0.000 0.272 4137 L C 0.703 177.546 176.870 -0.046 0.000 1.166 4137 L CA 1.617 56.435 54.840 -0.036 0.000 0.880 4137 L CB -0.670 41.366 42.059 -0.038 0.000 1.142 4137 L HN 0.735 nan 8.230 nan 0.000 0.473 4138 G N 4.039 112.814 108.800 -0.042 0.000 2.663 4138 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 4138 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 4138 G C -2.099 172.760 174.900 -0.068 0.000 1.288 4138 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 4138 G HN 0.482 nan 8.290 nan 0.000 0.584 4139 P HA -0.015 nan 4.420 nan 0.000 0.218 4139 P C 1.408 178.614 177.300 -0.157 0.000 1.148 4139 P CA 1.492 64.521 63.100 -0.118 0.000 0.822 4139 P CB 0.047 31.577 31.700 -0.284 0.000 0.784 4140 K N -0.693 119.589 120.400 -0.198 0.000 2.446 4140 K HA 0.257 4.577 4.320 0.000 0.000 0.203 4140 K C 0.951 177.497 176.600 -0.090 0.000 1.027 4140 K CA -0.189 56.006 56.287 -0.152 0.000 1.166 4140 K CB -0.372 32.018 32.500 -0.183 0.000 0.869 4140 K HN 0.035 nan 8.250 nan 0.000 0.504 4141 G N 0.377 109.134 108.800 -0.072 0.000 2.569 4141 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 4141 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 4141 G C -0.018 174.859 174.900 -0.038 0.000 1.216 4141 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 4141 G HN -0.029 nan 8.290 nan 0.000 0.568 4142 M N -0.047 119.533 119.600 -0.033 0.000 2.705 4142 M HA 0.409 4.889 4.480 0.000 0.000 0.272 4142 M C -0.690 175.596 176.300 -0.024 0.000 1.172 4142 M CA -0.513 54.771 55.300 -0.027 0.000 0.901 4142 M CB 1.403 33.986 32.600 -0.028 0.000 1.516 4142 M HN 0.389 nan 8.290 nan 0.000 0.530 4143 D N -0.221 120.165 120.400 -0.024 0.000 2.269 4143 D HA 0.474 5.114 4.640 0.000 0.000 0.244 4143 D C -0.977 175.307 176.300 -0.026 0.000 0.992 4143 D CA -0.370 53.616 54.000 -0.024 0.000 0.894 4143 D CB 1.413 42.198 40.800 -0.025 0.000 1.248 4143 D HN 0.098 nan 8.370 nan 0.000 0.468 4144 K N 0.739 121.124 120.400 -0.025 0.000 2.123 4144 K HA 0.611 4.931 4.320 0.000 0.000 0.248 4144 K C -0.808 175.774 176.600 -0.030 0.000 0.969 4144 K CA -0.519 55.752 56.287 -0.026 0.000 0.882 4144 K CB 1.318 33.804 32.500 -0.023 0.000 1.080 4144 K HN 0.364 nan 8.250 nan 0.000 0.441 4145 M N 3.308 122.889 119.600 -0.031 0.000 2.022 4145 M HA 0.328 4.808 4.480 0.000 0.000 0.298 4145 M C -1.705 174.578 176.300 -0.028 0.000 0.909 4145 M CA -0.918 54.361 55.300 -0.036 0.000 0.914 4145 M CB 0.568 33.143 32.600 -0.042 0.000 1.486 4145 M HN 0.308 nan 8.290 nan 0.000 0.415 4146 L N 5.057 126.266 121.223 -0.024 0.000 2.275 4146 L HA 0.563 4.903 4.340 0.000 0.000 0.288 4146 L C -0.680 176.182 176.870 -0.013 0.000 1.046 4146 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 4146 L CB 1.741 43.791 42.059 -0.014 0.000 1.193 4146 L HN 0.360 nan 8.230 nan 0.000 0.426 4147 V N 2.579 122.485 119.914 -0.012 0.000 2.409 4147 V HA 0.349 4.469 4.120 0.000 0.000 0.291 4147 V C -0.059 176.032 176.094 -0.005 0.000 1.020 4147 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 4147 V CB 1.566 33.384 31.823 -0.009 0.000 0.990 4147 V HN 0.633 nan 8.190 nan 0.000 0.430 4148 D N 2.503 122.902 120.400 -0.001 0.000 2.384 4148 D HA 0.046 4.686 4.640 0.000 0.000 0.244 4148 D C 1.020 177.320 176.300 -0.001 0.000 1.251 4148 D CA -0.115 53.885 54.000 -0.001 0.000 0.961 4148 D CB 1.274 42.075 40.800 0.002 0.000 1.116 4148 D HN 0.703 nan 8.370 nan 0.000 0.484 4149 D N -0.481 119.919 120.400 -0.001 0.000 2.263 4149 D HA -0.115 4.525 4.640 0.000 0.000 0.208 4149 D C 1.530 177.830 176.300 0.001 0.000 0.971 4149 D CA 0.830 54.830 54.000 -0.001 0.000 0.867 4149 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 4149 D HN 0.118 nan 8.370 nan 0.000 0.492 4150 L N -1.169 120.055 121.223 0.002 0.000 2.509 4150 L HA 0.344 4.684 4.340 0.000 0.000 0.222 4150 L C 2.047 178.920 176.870 0.005 0.000 1.123 4150 L CA 0.997 55.840 54.840 0.003 0.000 0.856 4150 L CB 0.134 42.195 42.059 0.004 0.000 0.985 4150 L HN 0.267 nan 8.230 nan 0.000 0.456 4151 G N -1.540 107.263 108.800 0.004 0.000 2.201 4151 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 4151 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 4151 G C 0.281 175.187 174.900 0.009 0.000 0.994 4151 G CA 0.069 45.172 45.100 0.006 0.000 0.644 4151 G HN 0.317 nan 8.290 nan 0.000 0.508 4152 D N 1.194 121.601 120.400 0.011 0.000 2.487 4152 D HA 0.355 4.995 4.640 0.000 0.000 0.243 4152 D C 0.460 176.770 176.300 0.017 0.000 1.154 4152 D CA 0.389 54.400 54.000 0.018 0.000 0.876 4152 D CB 1.058 41.868 40.800 0.017 0.000 1.161 4152 D HN 0.257 nan 8.370 nan 0.000 0.478 4153 V N 4.938 124.868 119.914 0.027 0.000 2.398 4153 V HA 0.378 4.498 4.120 0.000 0.000 0.286 4153 V C 0.115 176.224 176.094 0.026 0.000 1.026 4153 V CA -0.827 61.482 62.300 0.014 0.000 0.868 4153 V CB 1.684 33.508 31.823 0.001 0.000 0.982 4153 V HN 0.401 nan 8.190 nan 0.000 0.443 4154 V N 6.414 126.330 119.914 0.004 0.000 2.656 4154 V HA 0.675 4.795 4.120 0.000 0.000 0.307 4154 V C -0.774 175.305 176.094 -0.025 0.000 1.051 4154 V CA -0.294 62.011 62.300 0.009 0.000 0.893 4154 V CB 2.341 34.174 31.823 0.016 0.000 0.999 4154 V HN 0.622 nan 8.190 nan 0.000 0.426 4155 V N 5.812 125.702 119.914 -0.039 0.000 2.409 4155 V HA 0.781 4.901 4.120 0.000 0.000 0.291 4155 V C 0.014 176.095 176.094 -0.021 0.000 1.020 4155 V CA -0.087 62.181 62.300 -0.054 0.000 0.848 4155 V CB 1.553 33.311 31.823 -0.108 0.000 0.990 4155 V HN 1.038 nan 8.190 nan 0.000 0.430 4156 T N 2.546 117.089 114.554 -0.018 0.000 2.802 4156 T HA 0.323 4.673 4.350 0.000 0.000 0.311 4156 T C 0.080 174.773 174.700 -0.012 0.000 1.405 4156 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 4156 T CB 2.029 70.895 68.868 -0.002 0.000 1.352 4156 T HN 0.661 nan 8.240 nan 0.000 0.498 4157 N N 1.185 119.880 118.700 -0.008 0.000 2.210 4157 N HA 0.074 4.814 4.740 0.000 0.000 0.203 4157 N C -0.314 175.191 175.510 -0.008 0.000 1.175 4157 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 4157 N CB 0.476 38.958 38.487 -0.008 0.000 1.041 4157 N HN 0.691 nan 8.380 nan 0.000 0.506 4158 D N -0.058 120.339 120.400 -0.005 0.000 2.371 4158 D HA 0.202 4.842 4.640 0.000 0.000 0.256 4158 D C 1.485 177.781 176.300 -0.007 0.000 1.193 4158 D CA 0.206 54.203 54.000 -0.004 0.000 0.881 4158 D CB 1.037 41.837 40.800 -0.001 0.000 1.143 4158 D HN 0.263 nan 8.370 nan 0.000 0.473 4159 G N 2.653 111.449 108.800 -0.008 0.000 2.440 4159 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 4159 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 4159 G C 1.532 176.427 174.900 -0.008 0.000 1.154 4159 G CA 0.758 45.852 45.100 -0.010 0.000 0.767 4159 G HN 0.490 nan 8.290 nan 0.000 0.552 4160 V N 0.839 120.750 119.914 -0.005 0.000 2.261 4160 V HA -0.185 3.935 4.120 0.000 0.000 0.246 4160 V C 3.185 179.277 176.094 -0.004 0.000 1.047 4160 V CA 2.422 64.719 62.300 -0.004 0.000 1.015 4160 V CB -0.913 30.908 31.823 -0.002 0.000 0.642 4160 V HN 0.408 nan 8.190 nan 0.000 0.446 4161 T N 0.310 114.862 114.554 -0.003 0.000 2.684 4161 T HA -0.169 4.181 4.350 0.000 0.000 0.267 4161 T C 1.805 176.502 174.700 -0.005 0.000 1.036 4161 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 4161 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 4161 T HN 0.339 nan 8.240 nan 0.000 0.436 4162 I N 0.319 120.885 120.570 -0.007 0.000 2.179 4162 I HA -0.149 4.021 4.170 0.000 0.000 0.242 4162 I C 2.100 178.210 176.117 -0.012 0.000 1.088 4162 I CA 1.000 62.294 61.300 -0.011 0.000 1.357 4162 I CB -0.282 37.710 38.000 -0.013 0.000 1.051 4162 I HN 0.160 nan 8.210 nan 0.000 0.409 4163 L N 0.113 121.329 121.223 -0.010 0.000 2.109 4163 L HA -0.089 4.251 4.340 0.000 0.000 0.207 4163 L C 2.502 179.366 176.870 -0.009 0.000 1.086 4163 L CA 1.505 56.339 54.840 -0.011 0.000 0.760 4163 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 4163 L HN 0.147 nan 8.230 nan 0.000 0.437 4164 R N -0.141 120.355 120.500 -0.006 0.000 2.075 4164 R HA -0.108 4.232 4.340 0.000 0.000 0.232 4164 R C 1.891 178.188 176.300 -0.005 0.000 1.126 4164 R CA 1.239 57.336 56.100 -0.004 0.000 0.963 4164 R CB 0.092 30.391 30.300 -0.002 0.000 0.858 4164 R HN 0.337 nan 8.270 nan 0.000 0.435 4165 E N 0.883 121.080 120.200 -0.006 0.000 2.086 4165 E HA -0.051 4.299 4.350 0.000 0.000 0.190 4165 E C 1.282 177.876 176.600 -0.009 0.000 0.975 4165 E CA 0.466 56.863 56.400 -0.006 0.000 0.813 4165 E CB -0.358 29.339 29.700 -0.004 0.000 0.768 4165 E HN 0.448 nan 8.360 nan 0.000 0.457 4166 M N -0.021 119.571 119.600 -0.013 0.000 2.240 4166 M HA 0.102 4.582 4.480 0.000 0.000 0.317 4166 M C 0.499 176.787 176.300 -0.020 0.000 1.087 4166 M CA 0.330 55.619 55.300 -0.018 0.000 1.176 4166 M CB 0.570 33.155 32.600 -0.024 0.000 1.439 4166 M HN -0.260 nan 8.290 nan 0.000 0.452 4167 S N 2.317 118.003 115.700 -0.025 0.000 2.473 4167 S HA 0.430 4.900 4.470 0.000 0.000 0.312 4167 S C -0.652 173.924 174.600 -0.041 0.000 1.087 4167 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 4167 S CB -0.237 62.950 63.200 -0.022 0.000 1.065 4167 S HN 0.521 nan 8.310 nan 0.000 0.510 4168 V N 5.071 124.963 119.914 -0.036 0.000 2.546 4168 V HA 0.332 4.452 4.120 0.000 0.000 0.284 4168 V C 1.118 177.188 176.094 -0.041 0.000 1.050 4168 V CA -0.228 62.041 62.300 -0.051 0.000 0.981 4168 V CB 1.512 33.316 31.823 -0.031 0.000 0.990 4168 V HN 0.913 nan 8.190 nan 0.000 0.474 4169 E N 2.478 122.633 120.200 -0.076 0.000 2.256 4169 E HA 0.075 4.426 4.350 0.000 0.000 0.198 4169 E C 0.580 177.228 176.600 0.080 0.000 0.908 4169 E CA 0.435 56.824 56.400 -0.019 0.000 0.915 4169 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 4169 E HN 0.821 nan 8.360 nan 0.000 0.484 4170 H N 1.019 120.075 119.070 -0.023 0.000 2.848 4170 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 4170 H C -1.752 173.554 175.328 -0.035 0.000 1.046 4170 H CA -1.630 54.390 56.048 -0.046 0.000 1.470 4170 H CB 1.368 31.089 29.762 -0.069 0.000 1.483 4170 H HN 0.156 nan 8.280 nan 0.000 0.548 4171 P HA -0.200 nan 4.420 nan 0.000 0.215 4171 P C 1.265 178.580 177.300 0.024 0.000 1.153 4171 P CA 1.502 64.624 63.100 0.036 0.000 0.853 4171 P CB 0.215 31.925 31.700 0.018 0.000 0.788 4172 A N -0.024 122.800 122.820 0.007 0.000 1.930 4172 A HA -0.072 4.248 4.320 0.000 0.000 0.217 4172 A C 2.315 179.914 177.584 0.024 0.000 1.175 4172 A CA 1.929 53.967 52.037 0.001 0.000 0.627 4172 A CB -1.565 17.416 19.000 -0.032 0.000 0.815 4172 A HN 0.188 nan 8.150 nan 0.000 0.443 4173 A N 0.079 122.930 122.820 0.052 0.000 1.933 4173 A HA -0.163 4.157 4.320 0.000 0.000 0.218 4173 A C 2.052 179.650 177.584 0.023 0.000 1.175 4173 A CA 1.755 53.816 52.037 0.041 0.000 0.628 4173 A CB -0.424 18.604 19.000 0.047 0.000 0.814 4173 A HN 0.553 nan 8.150 nan 0.000 0.444 4174 K N -0.955 119.461 120.400 0.026 0.000 2.209 4174 K HA -0.055 4.265 4.320 0.000 0.000 0.204 4174 K C 1.820 178.429 176.600 0.015 0.000 1.048 4174 K CA 1.208 57.506 56.287 0.017 0.000 0.940 4174 K CB -0.189 32.323 32.500 0.020 0.000 0.729 4174 K HN 0.387 nan 8.250 nan 0.000 0.451 4175 M N 0.378 119.988 119.600 0.016 0.000 2.236 4175 M HA -0.041 4.439 4.480 0.000 0.000 0.266 4175 M C 2.177 178.485 176.300 0.014 0.000 1.070 4175 M CA 1.138 56.447 55.300 0.015 0.000 1.137 4175 M CB -0.664 31.946 32.600 0.015 0.000 1.378 4175 M HN 0.176 nan 8.290 nan 0.000 0.426 4176 L N 0.327 121.558 121.223 0.014 0.000 2.131 4176 L HA -0.197 4.143 4.340 0.000 0.000 0.210 4176 L C 2.249 179.124 176.870 0.008 0.000 1.092 4176 L CA 0.887 55.734 54.840 0.012 0.000 0.759 4176 L CB -0.219 41.846 42.059 0.011 0.000 0.903 4176 L HN 0.187 nan 8.230 nan 0.000 0.435 4177 I N -0.242 120.332 120.570 0.007 0.000 2.248 4177 I HA -0.350 3.820 4.170 0.000 0.000 0.248 4177 I C 2.376 178.496 176.117 0.005 0.000 1.107 4177 I CA 1.329 62.631 61.300 0.004 0.000 1.373 4177 I CB -0.212 37.789 38.000 0.003 0.000 1.055 4177 I HN 0.305 nan 8.210 nan 0.000 0.418 4178 E N 0.600 120.804 120.200 0.007 0.000 2.153 4178 E HA -0.153 4.197 4.350 0.000 0.000 0.194 4178 E C 2.135 178.740 176.600 0.008 0.000 0.988 4178 E CA 0.963 57.368 56.400 0.008 0.000 0.811 4178 E CB 0.003 29.709 29.700 0.010 0.000 0.746 4178 E HN 0.265 nan 8.360 nan 0.000 0.466 4179 V N 0.557 120.477 119.914 0.009 0.000 2.295 4179 V HA -0.287 3.833 4.120 0.000 0.000 0.246 4179 V C 2.304 178.400 176.094 0.004 0.000 1.049 4179 V CA 1.892 64.197 62.300 0.009 0.000 1.024 4179 V CB -0.894 30.935 31.823 0.010 0.000 0.648 4179 V HN 0.444 nan 8.190 nan 0.000 0.447 4180 A N -0.495 122.327 122.820 0.002 0.000 1.972 4180 A HA -0.219 4.101 4.320 0.000 0.000 0.219 4180 A C 2.280 179.864 177.584 0.000 0.000 1.169 4180 A CA 1.842 53.879 52.037 -0.001 0.000 0.635 4180 A CB -0.402 18.596 19.000 -0.002 0.000 0.810 4180 A HN 0.557 nan 8.150 nan 0.000 0.446 4181 K N -0.532 119.869 120.400 0.002 0.000 2.097 4181 K HA -0.101 4.219 4.320 0.000 0.000 0.205 4181 K C 2.189 178.790 176.600 0.002 0.000 1.050 4181 K CA 1.726 58.015 56.287 0.002 0.000 0.938 4181 K CB -0.304 32.197 32.500 0.003 0.000 0.718 4181 K HN 0.729 nan 8.250 nan 0.000 0.442 4182 T N -1.300 113.256 114.554 0.004 0.000 2.951 4182 T HA -0.138 4.212 4.350 0.000 0.000 0.268 4182 T C 1.985 176.687 174.700 0.003 0.000 1.073 4182 T CA 0.818 62.921 62.100 0.004 0.000 1.134 4182 T CB -0.002 68.870 68.868 0.006 0.000 0.884 4182 T HN 0.034 nan 8.240 nan 0.000 0.479 4183 Q N 1.209 121.010 119.800 0.002 0.000 2.079 4183 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 4183 Q C 2.439 178.439 176.000 0.001 0.000 0.974 4183 Q CA 1.452 57.256 55.803 0.001 0.000 0.840 4183 Q CB -0.398 28.339 28.738 -0.000 0.000 0.898 4183 Q HN 0.523 nan 8.270 nan 0.000 0.430 4184 E N -0.085 120.115 120.200 0.000 0.000 2.085 4184 E HA -0.205 4.145 4.350 0.000 0.000 0.194 4184 E C 1.614 178.213 176.600 -0.000 0.000 0.994 4184 E CA 1.151 57.551 56.400 -0.000 0.000 0.801 4184 E CB 0.157 29.857 29.700 -0.001 0.000 0.743 4184 E HN 0.233 nan 8.360 nan 0.000 0.453 4185 K N 0.378 120.778 120.400 0.000 0.000 2.031 4185 K HA -0.133 4.187 4.320 0.000 0.000 0.205 4185 K C 2.129 178.729 176.600 0.000 0.000 1.049 4185 K CA 1.070 57.357 56.287 -0.000 0.000 0.939 4185 K CB -0.280 32.221 32.500 0.000 0.000 0.717 4185 K HN 0.051 nan 8.250 nan 0.000 0.438 4186 E N 0.839 121.039 120.200 0.001 0.000 2.076 4186 E HA -0.107 4.243 4.350 0.000 0.000 0.190 4186 E C 1.719 178.320 176.600 0.001 0.000 0.979 4186 E CA 1.299 57.699 56.400 0.001 0.000 0.807 4186 E CB 0.285 29.987 29.700 0.002 0.000 0.761 4186 E HN 0.088 nan 8.360 nan 0.000 0.454 4187 V N -4.933 114.982 119.914 0.001 0.000 3.473 4187 V HA 0.584 4.704 4.120 0.000 0.000 0.253 4187 V C 1.484 177.579 176.094 0.001 0.000 1.340 4187 V CA 0.850 63.151 62.300 0.001 0.000 1.103 4187 V CB 0.451 32.275 31.823 0.002 0.000 0.881 4187 V HN 0.340 nan 8.190 nan 0.000 0.451 4188 G N 0.687 109.487 108.800 0.000 0.000 3.586 4188 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 4188 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 4188 G C 0.166 175.066 174.900 0.001 0.000 1.411 4188 G CA 0.468 45.568 45.100 0.000 0.000 0.898 4188 G HN 0.654 nan 8.290 nan 0.000 0.575 4189 D N 1.169 121.570 120.400 0.002 0.000 2.478 4189 D HA 0.480 5.120 4.640 0.000 0.000 0.269 4189 D C 1.538 177.838 176.300 0.000 0.000 1.232 4189 D CA 1.220 55.221 54.000 0.002 0.000 1.059 4189 D CB 0.615 41.418 40.800 0.005 0.000 1.104 4189 D HN 1.612 nan 8.370 nan 0.000 0.566 4190 G N -0.342 108.457 108.800 -0.001 0.000 2.153 4190 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 4190 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 4190 G C 1.037 175.932 174.900 -0.008 0.000 0.994 4190 G CA 1.515 46.612 45.100 -0.005 0.000 0.698 4190 G HN 0.584 nan 8.290 nan 0.000 0.521 4191 T N -2.948 111.602 114.554 -0.006 0.000 2.746 4191 T HA -0.113 4.237 4.350 0.000 0.000 0.267 4191 T C 2.215 176.909 174.700 -0.010 0.000 1.039 4191 T CA 2.419 64.515 62.100 -0.007 0.000 1.142 4191 T CB -0.564 68.301 68.868 -0.005 0.000 0.866 4191 T HN 0.308 nan 8.240 nan 0.000 0.444 4192 T N 2.008 116.554 114.554 -0.013 0.000 2.737 4192 T HA -0.086 4.264 4.350 0.000 0.000 0.265 4192 T C 2.280 176.967 174.700 -0.022 0.000 1.038 4192 T CA 1.815 63.905 62.100 -0.017 0.000 1.144 4192 T CB -0.987 67.869 68.868 -0.019 0.000 0.866 4192 T HN 0.518 nan 8.240 nan 0.000 0.434 4193 T N 2.232 116.772 114.554 -0.022 0.000 2.665 4193 T HA -0.135 4.215 4.350 0.000 0.000 0.268 4193 T C 2.371 177.052 174.700 -0.032 0.000 1.035 4193 T CA 1.334 63.417 62.100 -0.029 0.000 1.151 4193 T CB -0.630 68.223 68.868 -0.025 0.000 0.862 4193 T HN 0.447 nan 8.240 nan 0.000 0.438 4194 A N 0.761 123.567 122.820 -0.023 0.000 1.940 4194 A HA -0.057 4.263 4.320 0.000 0.000 0.219 4194 A C 2.592 180.162 177.584 -0.023 0.000 1.176 4194 A CA 1.457 53.481 52.037 -0.021 0.000 0.631 4194 A CB -0.911 18.082 19.000 -0.011 0.000 0.814 4194 A HN 0.385 nan 8.150 nan 0.000 0.446 4195 V N -0.652 119.250 119.914 -0.020 0.000 2.379 4195 V HA -0.178 3.942 4.120 0.000 0.000 0.245 4195 V C 2.552 178.630 176.094 -0.028 0.000 1.044 4195 V CA 1.735 64.024 62.300 -0.019 0.000 1.036 4195 V CB -0.630 31.184 31.823 -0.015 0.000 0.664 4195 V HN 0.363 nan 8.190 nan 0.000 0.453 4196 V N -0.449 119.444 119.914 -0.034 0.000 2.295 4196 V HA -0.218 3.902 4.120 0.000 0.000 0.246 4196 V C 2.465 178.523 176.094 -0.059 0.000 1.049 4196 V CA 2.129 64.403 62.300 -0.043 0.000 1.024 4196 V CB -0.376 31.421 31.823 -0.044 0.000 0.648 4196 V HN 0.425 nan 8.190 nan 0.000 0.447 4197 V N -0.020 119.850 119.914 -0.072 0.000 2.515 4197 V HA -0.183 3.937 4.120 0.000 0.000 0.250 4197 V C 2.525 178.548 176.094 -0.118 0.000 1.058 4197 V CA 1.996 64.229 62.300 -0.112 0.000 1.064 4197 V CB -0.275 31.473 31.823 -0.124 0.000 0.675 4197 V HN 0.522 nan 8.190 nan 0.000 0.461 4198 A N -0.137 122.640 122.820 -0.071 0.000 1.898 4198 A HA 0.004 4.324 4.320 0.000 0.000 0.216 4198 A C 2.342 179.910 177.584 -0.027 0.000 1.181 4198 A CA 1.701 53.713 52.037 -0.041 0.000 0.620 4198 A CB -1.231 17.762 19.000 -0.012 0.000 0.819 4198 A HN 0.599 nan 8.150 nan 0.000 0.442 4199 G N -0.493 108.289 108.800 -0.029 0.000 2.408 4199 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 4199 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 4199 G C 1.461 176.347 174.900 -0.024 0.000 1.150 4199 G CA 1.286 46.375 45.100 -0.018 0.000 0.776 4199 G HN 0.583 nan 8.290 nan 0.000 0.542 4200 E N 0.249 120.418 120.200 -0.051 0.000 2.107 4200 E HA 0.041 4.391 4.350 0.000 0.000 0.191 4200 E C 2.453 179.013 176.600 -0.067 0.000 0.982 4200 E CA 0.432 56.795 56.400 -0.063 0.000 0.809 4200 E CB -0.350 29.294 29.700 -0.093 0.000 0.756 4200 E HN 0.416 nan 8.360 nan 0.000 0.459 4201 L N 0.031 121.194 121.223 -0.100 0.000 2.083 4201 L HA -0.158 4.182 4.340 0.000 0.000 0.209 4201 L C 2.370 179.303 176.870 0.104 0.000 1.083 4201 L CA 0.944 55.726 54.840 -0.096 0.000 0.752 4201 L CB -0.334 41.619 42.059 -0.176 0.000 0.899 4201 L HN 0.249 nan 8.230 nan 0.000 0.433 4202 L N -0.864 120.405 121.223 0.077 0.000 2.156 4202 L HA -0.165 4.175 4.340 0.000 0.000 0.208 4202 L C 2.731 179.638 176.870 0.061 0.000 1.095 4202 L CA 0.608 55.501 54.840 0.088 0.000 0.770 4202 L CB -0.386 41.703 42.059 0.049 0.000 0.914 4202 L HN 0.202 nan 8.230 nan 0.000 0.439 4203 R N 0.903 121.423 120.500 0.034 0.000 2.081 4203 R HA -0.169 4.171 4.340 0.000 0.000 0.235 4203 R C 2.116 178.440 176.300 0.040 0.000 1.131 4203 R CA 1.594 57.707 56.100 0.023 0.000 0.960 4203 R CB -0.098 30.204 30.300 0.003 0.000 0.856 4203 R HN 0.008 nan 8.270 nan 0.000 0.436 4204 K N -0.236 120.199 120.400 0.059 0.000 2.155 4204 K HA 0.144 4.464 4.320 0.000 0.000 0.203 4204 K C 1.816 178.500 176.600 0.141 0.000 1.052 4204 K CA 1.303 57.644 56.287 0.090 0.000 0.948 4204 K CB -0.282 32.271 32.500 0.088 0.000 0.728 4204 K HN 0.291 nan 8.250 nan 0.000 0.448 4205 A N 0.751 123.683 122.820 0.187 0.000 1.902 4205 A HA -0.218 4.102 4.320 0.000 0.000 0.217 4205 A C 2.123 179.732 177.584 0.042 0.000 1.181 4205 A CA 1.809 53.928 52.037 0.137 0.000 0.623 4205 A CB -0.480 18.609 19.000 0.148 0.000 0.818 4205 A HN 0.442 nan 8.150 nan 0.000 0.443 4206 E N -0.323 119.901 120.200 0.039 0.000 2.110 4206 E HA -0.215 4.135 4.350 0.000 0.000 0.193 4206 E C 1.723 178.330 176.600 0.012 0.000 0.988 4206 E CA 1.239 57.647 56.400 0.013 0.000 0.804 4206 E CB -0.056 29.650 29.700 0.010 0.000 0.745 4206 E HN 0.562 nan 8.360 nan 0.000 0.458 4207 E N 0.224 120.440 120.200 0.026 0.000 2.106 4207 E HA -0.160 4.190 4.350 0.000 0.000 0.192 4207 E C 2.088 178.701 176.600 0.022 0.000 0.984 4207 E CA 0.555 56.969 56.400 0.024 0.000 0.806 4207 E CB -0.072 29.647 29.700 0.031 0.000 0.750 4207 E HN 0.274 nan 8.360 nan 0.000 0.458 4208 L N 0.436 121.677 121.223 0.029 0.000 2.156 4208 L HA -0.086 4.254 4.340 0.000 0.000 0.208 4208 L C 2.383 179.249 176.870 -0.006 0.000 1.095 4208 L CA 1.050 55.902 54.840 0.020 0.000 0.770 4208 L CB -0.673 41.403 42.059 0.028 0.000 0.914 4208 L HN 0.084 nan 8.230 nan 0.000 0.439 4209 L N -0.962 120.249 121.223 -0.019 0.000 2.093 4209 L HA -0.187 4.153 4.340 0.000 0.000 0.208 4209 L C 1.981 178.837 176.870 -0.024 0.000 1.085 4209 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 4209 L CB -0.525 41.508 42.059 -0.042 0.000 0.904 4209 L HN 0.232 nan 8.230 nan 0.000 0.435 4210 D N -0.568 119.825 120.400 -0.011 0.000 2.224 4210 D HA -0.133 4.507 4.640 0.000 0.000 0.205 4210 D C 2.016 178.315 176.300 -0.002 0.000 0.965 4210 D CA 0.804 54.801 54.000 -0.006 0.000 0.852 4210 D CB -0.029 40.770 40.800 -0.000 0.000 0.947 4210 D HN 0.262 nan 8.370 nan 0.000 0.494 4211 Q N 0.470 120.271 119.800 0.002 0.000 2.415 4211 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 4211 Q C 0.046 176.049 176.000 0.005 0.000 0.946 4211 Q CA 0.009 55.817 55.803 0.007 0.000 0.951 4211 Q CB -0.159 28.588 28.738 0.015 0.000 1.026 4211 Q HN 0.176 nan 8.270 nan 0.000 0.510 4212 N N -0.338 118.361 118.700 -0.002 0.000 2.754 4212 N HA -0.155 4.585 4.740 0.000 0.000 0.248 4212 N C -1.366 174.149 175.510 0.008 0.000 1.093 4212 N CA 0.301 53.349 53.050 -0.002 0.000 0.699 4212 N CB -1.297 37.193 38.487 0.005 0.000 1.016 4212 N HN -0.028 nan 8.380 nan 0.000 0.552 4213 V N 2.113 122.028 119.914 0.001 0.000 2.385 4213 V HA 0.129 4.249 4.120 0.000 0.000 0.269 4213 V C 1.000 177.097 176.094 0.005 0.000 1.043 4213 V CA -0.799 61.509 62.300 0.014 0.000 0.906 4213 V CB 1.031 32.857 31.823 0.005 0.000 0.995 4213 V HN 0.348 nan 8.190 nan 0.000 0.467 4214 H N 8.245 127.299 119.070 -0.028 0.000 3.094 4214 H HA 0.016 4.573 4.556 0.000 0.000 0.320 4214 H C -1.667 173.634 175.328 -0.046 0.000 1.000 4214 H CA -1.053 54.977 56.048 -0.030 0.000 1.413 4214 H CB 1.574 31.321 29.762 -0.025 0.000 1.405 4214 H HN 0.385 nan 8.280 nan 0.000 0.586 4215 P HA -0.187 nan 4.420 nan 0.000 0.217 4215 P C 1.428 178.749 177.300 0.035 0.000 1.148 4215 P CA 2.565 65.597 63.100 -0.113 0.000 0.834 4215 P CB 0.025 31.619 31.700 -0.178 0.000 0.783 4216 T N -4.239 110.477 114.554 0.270 0.000 2.995 4216 T HA -0.034 4.316 4.350 0.000 0.000 0.269 4216 T C 1.702 176.436 174.700 0.056 0.000 1.091 4216 T CA 0.652 62.840 62.100 0.146 0.000 1.128 4216 T CB -0.754 68.188 68.868 0.122 0.000 0.891 4216 T HN -0.082 nan 8.240 nan 0.000 0.492 4217 I N 1.196 121.809 120.570 0.072 0.000 2.333 4217 I HA 0.010 4.180 4.170 0.000 0.000 0.246 4217 I C 2.657 178.747 176.117 -0.044 0.000 1.106 4217 I CA 0.502 61.810 61.300 0.014 0.000 1.411 4217 I CB -1.105 36.915 38.000 0.033 0.000 1.082 4217 I HN 0.175 nan 8.210 nan 0.000 0.420 4218 V N 1.546 121.399 119.914 -0.102 0.000 2.295 4218 V HA -0.218 3.902 4.120 0.000 0.000 0.246 4218 V C 2.731 178.569 176.094 -0.426 0.000 1.049 4218 V CA 1.991 64.114 62.300 -0.295 0.000 1.024 4218 V CB -0.800 30.827 31.823 -0.326 0.000 0.648 4218 V HN 0.414 nan 8.190 nan 0.000 0.447 4219 V N -0.891 118.888 119.914 -0.225 0.000 2.667 4219 V HA -0.105 4.015 4.120 0.000 0.000 0.252 4219 V C 2.360 178.435 176.094 -0.030 0.000 1.065 4219 V CA 2.114 64.340 62.300 -0.123 0.000 1.083 4219 V CB -0.683 31.108 31.823 -0.053 0.000 0.692 4219 V HN 0.493 nan 8.190 nan 0.000 0.468 4220 K N 2.233 122.617 120.400 -0.027 0.000 2.025 4220 K HA 0.099 4.419 4.320 0.000 0.000 0.207 4220 K C 2.136 178.754 176.600 0.029 0.000 1.049 4220 K CA 2.079 58.368 56.287 0.004 0.000 0.933 4220 K CB -1.325 31.175 32.500 -0.001 0.000 0.714 4220 K HN 0.434 nan 8.250 nan 0.000 0.438 4221 G N -0.748 108.077 108.800 0.041 0.000 2.422 4221 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 4221 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 4221 G C 1.169 176.173 174.900 0.172 0.000 1.146 4221 G CA 0.828 45.999 45.100 0.117 0.000 0.769 4221 G HN 0.290 nan 8.290 nan 0.000 0.547 4222 Y N 0.308 120.558 120.300 -0.083 0.000 2.314 4222 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 4222 Y C 2.860 178.581 175.900 -0.298 0.000 1.129 4222 Y CA 0.895 58.873 58.100 -0.203 0.000 1.201 4222 Y CB -0.783 37.718 38.460 0.070 0.000 0.999 4222 Y HN 0.260 nan 8.280 nan 0.000 0.541 4223 Q N 0.384 120.205 119.800 0.035 0.000 2.079 4223 Q HA -0.056 4.285 4.340 0.000 0.000 0.200 4223 Q C 2.356 178.310 176.000 -0.077 0.000 0.974 4223 Q CA 1.753 57.547 55.803 -0.015 0.000 0.840 4223 Q CB -0.472 28.275 28.738 0.015 0.000 0.898 4223 Q HN 0.324 nan 8.270 nan 0.000 0.430 4224 A N 0.251 123.046 122.820 -0.041 0.000 1.873 4224 A HA -0.003 4.317 4.320 0.000 0.000 0.215 4224 A C 2.271 179.788 177.584 -0.111 0.000 1.186 4224 A CA 1.869 53.912 52.037 0.010 0.000 0.616 4224 A CB -1.143 17.942 19.000 0.141 0.000 0.823 4224 A HN 0.498 nan 8.150 nan 0.000 0.442 4225 A N -0.342 122.315 122.820 -0.270 0.000 1.930 4225 A HA 0.249 4.569 4.320 0.000 0.000 0.217 4225 A C 2.443 179.622 177.584 -0.676 0.000 1.175 4225 A CA 1.818 53.540 52.037 -0.526 0.000 0.627 4225 A CB -0.842 17.680 19.000 -0.795 0.000 0.815 4225 A HN 0.990 nan 8.150 nan 0.000 0.443 4226 A N -1.149 121.226 122.820 -0.742 0.000 1.930 4226 A HA -0.124 4.196 4.320 0.000 0.000 0.217 4226 A C 2.093 179.580 177.584 -0.160 0.000 1.175 4226 A CA 1.446 53.297 52.037 -0.309 0.000 0.627 4226 A CB -0.378 18.531 19.000 -0.152 0.000 0.815 4226 A HN 0.462 nan 8.150 nan 0.000 0.443 4227 Q N -0.296 119.399 119.800 -0.175 0.000 2.124 4227 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 4227 Q C 2.003 177.901 176.000 -0.170 0.000 0.977 4227 Q CA 1.817 57.544 55.803 -0.126 0.000 0.850 4227 Q CB -0.301 28.382 28.738 -0.091 0.000 0.901 4227 Q HN 0.619 nan 8.270 nan 0.000 0.429 4228 K N 0.887 121.108 120.400 -0.298 0.000 2.103 4228 K HA 0.029 4.349 4.320 0.000 0.000 0.204 4228 K C 1.843 178.316 176.600 -0.211 0.000 1.052 4228 K CA 1.175 57.236 56.287 -0.376 0.000 0.945 4228 K CB -0.413 31.593 32.500 -0.823 0.000 0.722 4228 K HN 0.111 nan 8.250 nan 0.000 0.443 4229 A N 0.353 123.083 122.820 -0.150 0.000 1.933 4229 A HA -0.206 4.114 4.320 0.000 0.000 0.218 4229 A C 2.149 179.718 177.584 -0.025 0.000 1.175 4229 A CA 1.842 53.860 52.037 -0.033 0.000 0.628 4229 A CB -0.652 18.400 19.000 0.086 0.000 0.814 4229 A HN 0.456 nan 8.150 nan 0.000 0.444 4230 Q N 0.097 119.873 119.800 -0.040 0.000 2.084 4230 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 4230 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 4230 Q CA 2.250 58.037 55.803 -0.027 0.000 0.844 4230 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 4230 Q HN 0.763 nan 8.270 nan 0.000 0.426 4231 E N -0.591 119.578 120.200 -0.053 0.000 2.077 4231 E HA -0.170 4.180 4.350 0.000 0.000 0.193 4231 E C 1.902 178.482 176.600 -0.034 0.000 0.989 4231 E CA 1.114 57.486 56.400 -0.045 0.000 0.800 4231 E CB -0.150 29.511 29.700 -0.064 0.000 0.746 4231 E HN 0.452 nan 8.360 nan 0.000 0.452 4232 L N 0.583 121.781 121.223 -0.041 0.000 2.083 4232 L HA -0.188 4.152 4.340 0.000 0.000 0.209 4232 L C 2.546 179.414 176.870 -0.003 0.000 1.083 4232 L CA 0.706 55.534 54.840 -0.020 0.000 0.752 4232 L CB -0.298 41.748 42.059 -0.021 0.000 0.899 4232 L HN 0.258 nan 8.230 nan 0.000 0.433 4233 L N -0.388 120.832 121.223 -0.005 0.000 2.056 4233 L HA -0.203 4.138 4.340 0.000 0.000 0.207 4233 L C 2.527 179.399 176.870 0.002 0.000 1.078 4233 L CA 1.359 56.200 54.840 0.003 0.000 0.749 4233 L CB -0.389 41.671 42.059 0.002 0.000 0.901 4233 L HN 0.198 nan 8.230 nan 0.000 0.433 4234 K N -0.885 119.513 120.400 -0.003 0.000 2.362 4234 K HA -0.073 4.247 4.320 0.000 0.000 0.200 4234 K C 1.856 178.455 176.600 -0.001 0.000 1.046 4234 K CA 1.253 57.538 56.287 -0.002 0.000 0.952 4234 K CB -0.060 32.437 32.500 -0.006 0.000 0.753 4234 K HN 0.284 nan 8.250 nan 0.000 0.466 4235 T N 1.275 115.828 114.554 -0.000 0.000 3.035 4235 T HA 0.046 4.396 4.350 0.000 0.000 0.259 4235 T C 1.735 176.440 174.700 0.007 0.000 1.078 4235 T CA 0.570 62.671 62.100 0.002 0.000 1.132 4235 T CB 0.069 68.938 68.868 0.001 0.000 0.900 4235 T HN 0.348 nan 8.240 nan 0.000 0.480 4236 I N -0.862 119.715 120.570 0.012 0.000 3.968 4236 I HA 0.537 4.707 4.170 0.000 0.000 0.328 4236 I C 0.940 177.066 176.117 0.015 0.000 1.290 4236 I CA -0.674 60.637 61.300 0.018 0.000 1.163 4236 I CB -0.253 37.766 38.000 0.033 0.000 1.024 4236 I HN -0.095 nan 8.210 nan 0.000 0.413 4237 A N 1.596 124.422 122.820 0.011 0.000 2.546 4237 A HA 0.129 4.449 4.320 0.000 0.000 0.243 4237 A C 0.082 177.671 177.584 0.007 0.000 1.063 4237 A CA 0.032 52.074 52.037 0.009 0.000 0.757 4237 A CB -0.243 18.761 19.000 0.006 0.000 0.991 4237 A HN 0.640 nan 8.150 nan 0.000 0.503 4238 C N 3.663 122.968 119.300 0.008 0.000 2.255 4238 C HA 0.539 4.999 4.460 0.000 0.000 0.326 4238 C C 0.355 175.348 174.990 0.005 0.000 1.258 4238 C CA -0.641 58.381 59.018 0.006 0.000 1.676 4238 C CB -0.347 27.398 27.740 0.008 0.000 2.314 4238 C HN 0.941 nan 8.230 nan 0.000 0.509 4239 E N 3.680 123.882 120.200 0.004 0.000 2.351 4239 E HA 0.405 4.755 4.350 0.000 0.000 0.266 4239 E C -0.092 176.510 176.600 0.003 0.000 1.031 4239 E CA 0.229 56.631 56.400 0.003 0.000 0.911 4239 E CB 0.644 30.345 29.700 0.002 0.000 0.986 4239 E HN 0.712 nan 8.360 nan 0.000 0.446 4240 V N 1.474 121.390 119.914 0.003 0.000 3.102 4240 V HA 0.840 4.960 4.120 0.000 0.000 0.312 4240 V C 0.514 176.610 176.094 0.003 0.000 1.135 4240 V CA -0.793 61.509 62.300 0.003 0.000 1.022 4240 V CB 1.646 33.470 31.823 0.003 0.000 1.056 4240 V HN 0.672 nan 8.190 nan 0.000 0.436 4241 G N 0.421 109.222 108.800 0.002 0.000 2.343 4241 G HA2 0.464 4.424 3.960 0.000 0.000 0.254 4241 G HA3 0.464 4.424 3.960 0.000 0.000 0.254 4241 G C 0.994 175.896 174.900 0.003 0.000 1.277 4241 G CA 0.192 45.294 45.100 0.003 0.000 0.909 4241 G HN 1.670 nan 8.290 nan 0.000 0.502 4242 A N 2.140 124.962 122.820 0.003 0.000 1.940 4242 A HA -0.123 4.197 4.320 0.000 0.000 0.219 4242 A C 1.930 179.516 177.584 0.004 0.000 1.176 4242 A CA 1.855 53.894 52.037 0.004 0.000 0.631 4242 A CB -0.069 18.934 19.000 0.004 0.000 0.814 4242 A HN 0.641 nan 8.150 nan 0.000 0.446 4243 Q N -0.482 119.321 119.800 0.004 0.000 2.155 4243 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 4243 Q C -0.829 175.173 176.000 0.003 0.000 0.819 4243 Q CA -0.267 55.538 55.803 0.004 0.000 1.032 4243 Q CB 0.182 28.923 28.738 0.006 0.000 1.151 4243 Q HN 0.578 nan 8.270 nan 0.000 0.487 4244 D N 1.012 121.414 120.400 0.003 0.000 2.412 4244 D HA -0.073 4.567 4.640 0.000 0.000 0.257 4244 D C 1.262 177.563 176.300 0.001 0.000 1.217 4244 D CA 0.223 54.224 54.000 0.002 0.000 0.897 4244 D CB 0.906 41.707 40.800 0.002 0.000 1.132 4244 D HN -0.030 nan 8.370 nan 0.000 0.493 4245 K N 3.486 123.887 120.400 0.001 0.000 2.032 4245 K HA -0.265 4.055 4.320 0.000 0.000 0.218 4245 K C 1.237 177.837 176.600 -0.001 0.000 1.054 4245 K CA 1.545 57.832 56.287 -0.000 0.000 0.941 4245 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 4245 K HN 0.584 nan 8.250 nan 0.000 0.449 4246 E N 0.570 120.769 120.200 -0.002 0.000 2.023 4246 E HA -0.203 4.147 4.350 0.000 0.000 0.196 4246 E C 2.134 178.732 176.600 -0.003 0.000 1.003 4246 E CA 1.182 57.581 56.400 -0.003 0.000 0.809 4246 E CB -0.457 29.241 29.700 -0.003 0.000 0.755 4246 E HN 0.324 nan 8.360 nan 0.000 0.449 4247 I N 0.726 121.295 120.570 -0.001 0.000 2.493 4247 I HA -0.211 3.959 4.170 0.000 0.000 0.254 4247 I C 2.086 178.203 176.117 0.000 0.000 1.160 4247 I CA 0.636 61.936 61.300 -0.000 0.000 1.445 4247 I CB -0.094 37.907 38.000 0.001 0.000 1.086 4247 I HN 0.014 nan 8.210 nan 0.000 0.433 4248 L N -0.154 121.070 121.223 0.000 0.000 2.093 4248 L HA -0.161 4.179 4.340 0.000 0.000 0.208 4248 L C 2.469 179.338 176.870 -0.001 0.000 1.085 4248 L CA 1.925 56.765 54.840 0.000 0.000 0.755 4248 L CB -1.360 40.700 42.059 0.000 0.000 0.904 4248 L HN 0.201 nan 8.230 nan 0.000 0.435 4249 T N -1.434 113.119 114.554 -0.002 0.000 2.867 4249 T HA -0.154 4.197 4.350 0.000 0.000 0.268 4249 T C 1.957 176.654 174.700 -0.005 0.000 1.057 4249 T CA 1.028 63.126 62.100 -0.004 0.000 1.136 4249 T CB 0.035 68.900 68.868 -0.006 0.000 0.874 4249 T HN 0.059 nan 8.240 nan 0.000 0.466 4250 K N 0.774 121.172 120.400 -0.004 0.000 2.103 4250 K HA 0.157 4.477 4.320 0.000 0.000 0.204 4250 K C 2.032 178.633 176.600 0.001 0.000 1.052 4250 K CA 0.532 56.817 56.287 -0.004 0.000 0.945 4250 K CB -0.335 32.163 32.500 -0.003 0.000 0.722 4250 K HN 0.201 nan 8.250 nan 0.000 0.443 4251 I N 0.742 121.313 120.570 0.003 0.000 2.142 4251 I HA -0.206 3.964 4.170 0.000 0.000 0.240 4251 I C 2.161 178.282 176.117 0.006 0.000 1.078 4251 I CA 1.502 62.805 61.300 0.006 0.000 1.343 4251 I CB -1.359 36.644 38.000 0.005 0.000 1.046 4251 I HN 0.082 nan 8.210 nan 0.000 0.405 4252 A N 0.639 123.461 122.820 0.004 0.000 1.883 4252 A HA -0.282 4.038 4.320 0.000 0.000 0.217 4252 A C 2.471 180.058 177.584 0.005 0.000 1.186 4252 A CA 2.207 54.246 52.037 0.004 0.000 0.624 4252 A CB -0.732 18.268 19.000 0.001 0.000 0.822 4252 A HN 0.481 nan 8.150 nan 0.000 0.444 4253 M N 0.306 119.907 119.600 0.002 0.000 2.086 4253 M HA -0.169 4.311 4.480 0.000 0.000 0.261 4253 M C 2.267 178.573 176.300 0.010 0.000 1.067 4253 M CA 2.554 57.853 55.300 -0.001 0.000 1.116 4253 M CB -0.504 32.088 32.600 -0.013 0.000 1.348 4253 M HN 0.600 nan 8.290 nan 0.000 0.407 4254 T N -2.458 112.106 114.554 0.015 0.000 2.867 4254 T HA -0.093 4.258 4.350 0.000 0.000 0.268 4254 T C 1.978 176.701 174.700 0.038 0.000 1.057 4254 T CA 1.588 63.708 62.100 0.033 0.000 1.136 4254 T CB -0.687 68.201 68.868 0.032 0.000 0.874 4254 T HN 0.486 nan 8.240 nan 0.000 0.466 4255 S N 1.163 116.878 115.700 0.025 0.000 2.355 4255 S HA -0.005 4.465 4.470 0.000 0.000 0.222 4255 S C 2.031 176.647 174.600 0.026 0.000 1.031 4255 S CA 0.933 59.146 58.200 0.022 0.000 0.993 4255 S CB -0.669 62.539 63.200 0.014 0.000 0.859 4255 S HN 0.585 nan 8.310 nan 0.000 0.453 4256 I N 1.716 122.300 120.570 0.024 0.000 2.264 4256 I HA -0.116 4.054 4.170 0.000 0.000 0.248 4256 I C 1.355 177.496 176.117 0.041 0.000 1.111 4256 I CA 1.016 62.331 61.300 0.026 0.000 1.382 4256 I CB -0.963 37.048 38.000 0.018 0.000 1.060 4256 I HN 0.452 nan 8.210 nan 0.000 0.418 4257 T N -0.765 113.824 114.554 0.059 0.000 2.900 4257 T HA 0.366 4.716 4.350 0.000 0.000 0.307 4257 T C 1.143 175.904 174.700 0.102 0.000 1.065 4257 T CA 0.057 62.220 62.100 0.106 0.000 1.105 4257 T CB 1.378 70.347 68.868 0.168 0.000 0.979 4257 T HN 0.599 nan 8.240 nan 0.000 0.544 4258 G N 1.403 110.273 108.800 0.117 0.000 2.176 4258 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 4258 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 4258 G C -0.039 174.882 174.900 0.036 0.000 0.979 4258 G CA 0.408 45.543 45.100 0.059 0.000 0.641 4258 G HN 0.935 nan 8.290 nan 0.000 0.530 4259 K N -0.903 119.523 120.400 0.044 0.000 2.352 4259 K HA 0.609 4.929 4.320 0.000 0.000 0.240 4259 K C 1.541 178.162 176.600 0.034 0.000 1.017 4259 K CA -0.539 55.767 56.287 0.030 0.000 0.851 4259 K CB 1.283 33.798 32.500 0.026 0.000 1.261 4259 K HN 0.169 nan 8.250 nan 0.000 0.451 4260 G N 0.394 109.210 108.800 0.027 0.000 2.448 4260 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 4260 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 4260 G C 1.265 176.182 174.900 0.028 0.000 1.127 4260 G CA 1.112 46.228 45.100 0.027 0.000 0.766 4260 G HN 0.614 nan 8.290 nan 0.000 0.552 4261 A N 1.531 124.367 122.820 0.026 0.000 2.121 4261 A HA 0.005 4.325 4.320 0.000 0.000 0.218 4261 A C 2.135 179.733 177.584 0.023 0.000 1.154 4261 A CA 1.669 53.720 52.037 0.023 0.000 0.679 4261 A CB -0.385 18.627 19.000 0.021 0.000 0.795 4261 A HN 0.656 nan 8.150 nan 0.000 0.458 4262 E N 0.528 120.746 120.200 0.031 0.000 2.401 4262 E HA -0.216 4.134 4.350 0.000 0.000 0.199 4262 E C 1.457 178.069 176.600 0.020 0.000 1.023 4262 E CA 1.228 57.647 56.400 0.031 0.000 0.859 4262 E CB -0.317 29.418 29.700 0.059 0.000 0.780 4262 E HN 0.612 nan 8.360 nan 0.000 0.523 4263 K N 0.493 120.905 120.400 0.021 0.000 2.152 4263 K HA -0.063 4.257 4.320 0.000 0.000 0.206 4263 K C 1.388 177.992 176.600 0.006 0.000 1.048 4263 K CA 1.291 57.587 56.287 0.014 0.000 0.933 4263 K CB 0.054 32.564 32.500 0.017 0.000 0.721 4263 K HN 0.229 nan 8.250 nan 0.000 0.447 4264 A N 1.268 124.092 122.820 0.006 0.000 2.676 4264 A HA 0.079 4.399 4.320 0.000 0.000 0.297 4264 A C 1.173 178.757 177.584 -0.000 0.000 1.132 4264 A CA -0.489 51.550 52.037 0.002 0.000 0.972 4264 A CB -0.097 18.906 19.000 0.006 0.000 1.197 4264 A HN 0.253 nan 8.150 nan 0.000 0.524 4265 K N 0.116 120.515 120.400 -0.002 0.000 2.286 4265 K HA -0.223 4.097 4.320 0.000 0.000 0.203 4265 K C 0.841 177.435 176.600 -0.009 0.000 1.045 4265 K CA 1.969 58.254 56.287 -0.004 0.000 0.935 4265 K CB -0.110 32.385 32.500 -0.009 0.000 0.737 4265 K HN 0.348 nan 8.250 nan 0.000 0.460 4266 E N 1.435 121.627 120.200 -0.013 0.000 2.046 4266 E HA -0.136 4.214 4.350 0.000 0.000 0.190 4266 E C 1.929 178.525 176.600 -0.007 0.000 0.982 4266 E CA 1.344 57.736 56.400 -0.013 0.000 0.800 4266 E CB -0.048 29.642 29.700 -0.016 0.000 0.756 4266 E HN 0.305 nan 8.360 nan 0.000 0.449 4267 K N 0.278 120.676 120.400 -0.004 0.000 2.057 4267 K HA -0.072 4.248 4.320 0.000 0.000 0.206 4267 K C 1.666 178.267 176.600 0.001 0.000 1.050 4267 K CA 0.794 57.080 56.287 -0.001 0.000 0.935 4267 K CB -0.228 32.273 32.500 0.002 0.000 0.715 4267 K HN -0.014 nan 8.250 nan 0.000 0.439 4268 L N 0.679 121.904 121.223 0.002 0.000 2.083 4268 L HA -0.001 4.340 4.340 0.000 0.000 0.209 4268 L C 2.301 179.172 176.870 0.002 0.000 1.083 4268 L CA 1.933 56.776 54.840 0.004 0.000 0.752 4268 L CB -1.150 40.913 42.059 0.006 0.000 0.899 4268 L HN 0.293 nan 8.230 nan 0.000 0.433 4269 A N -0.821 121.999 122.820 -0.000 0.000 1.902 4269 A HA -0.252 4.068 4.320 0.000 0.000 0.217 4269 A C 2.360 179.943 177.584 -0.002 0.000 1.181 4269 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 4269 A CB -0.563 18.435 19.000 -0.004 0.000 0.818 4269 A HN 0.493 nan 8.150 nan 0.000 0.443 4270 E N -0.131 120.068 120.200 -0.002 0.000 2.077 4270 E HA -0.183 4.167 4.350 0.000 0.000 0.193 4270 E C 1.865 178.465 176.600 -0.000 0.000 0.989 4270 E CA 1.348 57.747 56.400 -0.001 0.000 0.800 4270 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 4270 E HN 0.665 nan 8.360 nan 0.000 0.452 4271 I N 0.953 121.524 120.570 0.001 0.000 2.226 4271 I HA -0.272 3.899 4.170 0.000 0.000 0.245 4271 I C 2.224 178.341 176.117 -0.000 0.000 1.100 4271 I CA 0.643 61.944 61.300 0.002 0.000 1.374 4271 I CB -0.173 37.830 38.000 0.005 0.000 1.057 4271 I HN 0.259 nan 8.210 nan 0.000 0.413 4272 I N 0.526 121.095 120.570 -0.001 0.000 2.353 4272 I HA -0.141 4.029 4.170 0.000 0.000 0.248 4272 I C 2.680 178.795 176.117 -0.004 0.000 1.119 4272 I CA 1.419 62.718 61.300 -0.003 0.000 1.417 4272 I CB -1.017 36.982 38.000 -0.001 0.000 1.078 4272 I HN 0.199 nan 8.210 nan 0.000 0.421 4273 V N -1.110 118.803 119.914 -0.003 0.000 2.809 4273 V HA -0.120 4.000 4.120 0.000 0.000 0.256 4273 V C 2.179 178.271 176.094 -0.004 0.000 1.080 4273 V CA 1.580 63.878 62.300 -0.003 0.000 1.102 4273 V CB -0.819 31.003 31.823 -0.002 0.000 0.705 4273 V HN 0.433 nan 8.190 nan 0.000 0.475 4274 E N 1.081 121.279 120.200 -0.004 0.000 2.076 4274 E HA -0.039 4.311 4.350 0.000 0.000 0.190 4274 E C 2.206 178.800 176.600 -0.011 0.000 0.979 4274 E CA 1.122 57.518 56.400 -0.005 0.000 0.807 4274 E CB -0.242 29.456 29.700 -0.003 0.000 0.761 4274 E HN 0.642 nan 8.360 nan 0.000 0.454 4275 A N 0.741 123.554 122.820 -0.012 0.000 1.858 4275 A HA -0.139 4.181 4.320 0.000 0.000 0.216 4275 A C 2.388 179.959 177.584 -0.022 0.000 1.190 4275 A CA 1.607 53.634 52.037 -0.018 0.000 0.617 4275 A CB -0.781 18.210 19.000 -0.015 0.000 0.827 4275 A HN 0.226 nan 8.150 nan 0.000 0.443 4276 V N -0.280 119.625 119.914 -0.015 0.000 2.515 4276 V HA -0.169 3.951 4.120 0.000 0.000 0.250 4276 V C 2.763 178.849 176.094 -0.013 0.000 1.058 4276 V CA 2.154 64.446 62.300 -0.014 0.000 1.064 4276 V CB -0.592 31.226 31.823 -0.009 0.000 0.675 4276 V HN 0.671 nan 8.190 nan 0.000 0.461 4277 S N -0.012 115.681 115.700 -0.011 0.000 2.383 4277 S HA -0.119 4.351 4.470 0.000 0.000 0.227 4277 S C 2.108 176.699 174.600 -0.015 0.000 1.026 4277 S CA 1.458 59.653 58.200 -0.008 0.000 0.981 4277 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 4277 S HN 0.597 nan 8.310 nan 0.000 0.472 4278 A N 1.067 123.868 122.820 -0.031 0.000 1.873 4278 A HA 0.025 4.345 4.320 0.000 0.000 0.215 4278 A C 2.374 179.903 177.584 -0.091 0.000 1.186 4278 A CA 1.758 53.757 52.037 -0.063 0.000 0.616 4278 A CB -0.984 17.975 19.000 -0.068 0.000 0.823 4278 A HN 0.941 nan 8.150 nan 0.000 0.442 4279 V N -3.063 116.812 119.914 -0.065 0.000 2.788 4279 V HA -0.008 4.112 4.120 0.000 0.000 0.251 4279 V C 2.093 178.167 176.094 -0.035 0.000 1.068 4279 V CA 1.486 63.748 62.300 -0.063 0.000 1.090 4279 V CB -0.548 31.246 31.823 -0.048 0.000 0.710 4279 V HN 0.205 nan 8.190 nan 0.000 0.467 4280 V N 0.498 120.400 119.914 -0.019 0.000 2.515 4280 V HA -0.093 4.027 4.120 0.000 0.000 0.250 4280 V C 1.610 177.713 176.094 0.015 0.000 1.058 4280 V CA 2.402 64.701 62.300 -0.002 0.000 1.064 4280 V CB -0.533 31.290 31.823 0.001 0.000 0.675 4280 V HN 0.869 nan 8.190 nan 0.000 0.461 4281 D N -0.756 119.658 120.400 0.024 0.000 4.344 4281 D HA -0.224 4.417 4.640 0.000 0.000 0.144 4281 D C 0.553 176.886 176.300 0.056 0.000 0.730 4281 D CA 1.935 55.979 54.000 0.073 0.000 1.156 4281 D CB -1.242 39.623 40.800 0.109 0.000 0.570 4281 D HN 0.565 nan 8.370 nan 0.000 0.533 4282 D N 1.634 122.062 120.400 0.047 0.000 2.398 4282 D HA 0.236 4.876 4.640 0.000 0.000 0.247 4282 D C -0.237 176.075 176.300 0.020 0.000 1.227 4282 D CA 0.168 54.186 54.000 0.030 0.000 0.980 4282 D CB 0.610 41.425 40.800 0.024 0.000 1.106 4282 D HN 0.261 nan 8.370 nan 0.000 0.493 4283 E N 0.028 120.237 120.200 0.015 0.000 2.079 4283 E HA 0.518 4.868 4.350 0.000 0.000 0.252 4283 E C -0.703 175.903 176.600 0.009 0.000 0.992 4283 E CA -0.509 55.898 56.400 0.011 0.000 0.829 4283 E CB -0.344 29.361 29.700 0.009 0.000 1.158 4283 E HN 0.515 nan 8.360 nan 0.000 0.435 4284 G N 2.744 111.549 108.800 0.008 0.000 2.358 4284 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 4284 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 4284 G C -1.867 173.037 174.900 0.007 0.000 1.537 4284 G CA -0.844 44.261 45.100 0.009 0.000 0.928 4284 G HN 0.194 nan 8.290 nan 0.000 0.656 4285 K N 0.434 120.837 120.400 0.006 0.000 2.561 4285 K HA 0.577 4.897 4.320 0.000 0.000 0.254 4285 K C -1.425 175.176 176.600 0.002 0.000 0.942 4285 K CA -0.538 55.751 56.287 0.004 0.000 0.818 4285 K CB 2.307 34.809 32.500 0.004 0.000 1.306 4285 K HN 0.601 nan 8.250 nan 0.000 0.435 4286 V N 2.931 122.845 119.914 -0.000 0.000 2.459 4286 V HA 0.346 4.466 4.120 0.000 0.000 0.295 4286 V C -0.538 175.553 176.094 -0.005 0.000 1.029 4286 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 4286 V CB 1.676 33.497 31.823 -0.004 0.000 0.985 4286 V HN 0.673 nan 8.190 nan 0.000 0.438 4287 D N 3.312 123.707 120.400 -0.008 0.000 2.471 4287 D HA 0.240 4.880 4.640 0.000 0.000 0.245 4287 D C 0.778 177.070 176.300 -0.013 0.000 1.116 4287 D CA -0.554 53.441 54.000 -0.009 0.000 0.853 4287 D CB 1.816 42.610 40.800 -0.009 0.000 1.123 4287 D HN 0.523 nan 8.370 nan 0.000 0.540 4288 K N 2.733 123.126 120.400 -0.012 0.000 2.218 4288 K HA -0.237 4.083 4.320 0.000 0.000 0.205 4288 K C 0.922 177.511 176.600 -0.018 0.000 1.046 4288 K CA 1.404 57.683 56.287 -0.014 0.000 0.933 4288 K CB 0.162 32.655 32.500 -0.011 0.000 0.728 4288 K HN 0.350 nan 8.250 nan 0.000 0.454 4289 D N 0.260 120.649 120.400 -0.018 0.000 2.309 4289 D HA -0.127 4.514 4.640 0.000 0.000 0.212 4289 D C 1.483 177.766 176.300 -0.029 0.000 0.968 4289 D CA 0.778 54.764 54.000 -0.023 0.000 0.882 4289 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 4289 D HN 0.282 nan 8.370 nan 0.000 0.503 4290 L N -0.355 120.851 121.223 -0.028 0.000 2.492 4290 L HA 0.172 4.512 4.340 0.000 0.000 0.223 4290 L C 0.409 177.255 176.870 -0.039 0.000 1.132 4290 L CA 0.203 55.022 54.840 -0.035 0.000 0.850 4290 L CB 0.153 42.193 42.059 -0.032 0.000 0.966 4290 L HN 0.015 nan 8.230 nan 0.000 0.454 4291 I N 0.629 121.179 120.570 -0.034 0.000 2.420 4291 I HA 0.180 4.350 4.170 0.000 0.000 0.282 4291 I C 0.022 176.118 176.117 -0.035 0.000 1.019 4291 I CA -0.395 60.885 61.300 -0.034 0.000 1.130 4291 I CB 1.631 39.615 38.000 -0.026 0.000 1.262 4291 I HN -0.040 nan 8.210 nan 0.000 0.454 4292 K N 6.766 127.139 120.400 -0.044 0.000 2.249 4292 K HA 0.405 4.726 4.320 0.000 0.000 0.280 4292 K C -0.635 175.941 176.600 -0.041 0.000 1.033 4292 K CA -0.479 55.779 56.287 -0.047 0.000 0.946 4292 K CB 0.905 33.366 32.500 -0.065 0.000 1.005 4292 K HN 0.460 nan 8.250 nan 0.000 0.469 4293 I N 4.257 124.806 120.570 -0.035 0.000 2.347 4293 I HA 0.183 4.354 4.170 0.000 0.000 0.283 4293 I C -0.217 175.881 176.117 -0.032 0.000 1.058 4293 I CA -0.550 60.734 61.300 -0.027 0.000 1.202 4293 I CB 0.423 38.412 38.000 -0.018 0.000 1.386 4293 I HN 0.668 nan 8.210 nan 0.000 0.475 4294 E N 6.774 126.952 120.200 -0.037 0.000 2.204 4294 E HA 0.589 4.939 4.350 0.000 0.000 0.276 4294 E C -0.782 175.803 176.600 -0.025 0.000 0.974 4294 E CA -0.633 55.742 56.400 -0.043 0.000 0.815 4294 E CB 1.395 31.051 29.700 -0.073 0.000 1.119 4294 E HN 0.544 nan 8.360 nan 0.000 0.393 4295 K N 1.924 122.311 120.400 -0.022 0.000 2.468 4295 K HA 0.697 5.017 4.320 0.000 0.000 0.252 4295 K C -1.250 175.345 176.600 -0.008 0.000 0.932 4295 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 4295 K CB 1.842 34.337 32.500 -0.009 0.000 1.241 4295 K HN 0.189 nan 8.250 nan 0.000 0.428 4296 K N 1.600 122.002 120.400 0.004 0.000 2.588 4296 K HA 0.191 4.511 4.320 0.000 0.000 0.250 4296 K C -0.999 175.608 176.600 0.012 0.000 0.972 4296 K CA -0.341 55.951 56.287 0.009 0.000 0.821 4296 K CB 1.910 34.425 32.500 0.025 0.000 1.249 4296 K HN 0.853 nan 8.250 nan 0.000 0.442 4297 S N 2.001 117.702 115.700 0.001 0.000 2.580 4297 S HA 0.685 5.155 4.470 0.000 0.000 0.266 4297 S C 0.531 175.138 174.600 0.011 0.000 1.354 4297 S CA 0.500 58.701 58.200 0.001 0.000 1.008 4297 S CB 0.513 63.706 63.200 -0.011 0.000 0.898 4297 S HN 1.384 nan 8.310 nan 0.000 0.555 4298 G N -0.065 108.742 108.800 0.011 0.000 2.484 4298 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 4298 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 4298 G C -0.060 174.849 174.900 0.015 0.000 1.294 4298 G CA -0.008 45.100 45.100 0.013 0.000 0.879 4298 G HN 2.454 nan 8.290 nan 0.000 0.646 4299 A N -0.710 122.118 122.820 0.013 0.000 5.953 4299 A HA 0.384 4.704 4.320 0.000 0.000 0.267 4299 A C 1.164 178.755 177.584 0.012 0.000 2.116 4299 A CA 1.984 54.028 52.037 0.012 0.000 0.711 4299 A CB -1.623 17.385 19.000 0.015 0.000 1.100 4299 A HN 2.726 nan 8.150 nan 0.000 0.364 4300 S N -2.591 113.116 115.700 0.013 0.000 2.810 4300 S HA 0.750 5.220 4.470 0.000 0.000 0.315 4300 S C 1.302 175.911 174.600 0.014 0.000 1.138 4300 S CA 0.011 58.218 58.200 0.013 0.000 0.889 4300 S CB 0.921 64.127 63.200 0.011 0.000 1.236 4300 S HN 0.966 nan 8.310 nan 0.000 0.548 4301 I N 1.195 121.774 120.570 0.014 0.000 2.315 4301 I HA -0.092 4.078 4.170 0.000 0.000 0.248 4301 I C 1.931 178.056 176.117 0.013 0.000 1.117 4301 I CA 1.392 62.700 61.300 0.015 0.000 1.404 4301 I CB -0.301 37.708 38.000 0.015 0.000 1.071 4301 I HN 0.694 nan 8.210 nan 0.000 0.419 4302 D N 1.017 121.423 120.400 0.011 0.000 2.218 4302 D HA -0.210 4.430 4.640 0.000 0.000 0.204 4302 D C 1.593 177.899 176.300 0.010 0.000 0.976 4302 D CA 1.140 55.145 54.000 0.008 0.000 0.853 4302 D CB -0.016 40.788 40.800 0.005 0.000 0.939 4302 D HN 0.248 nan 8.370 nan 0.000 0.481 4303 D N -0.432 119.975 120.400 0.012 0.000 2.347 4303 D HA -0.038 4.602 4.640 0.000 0.000 0.215 4303 D C 0.240 176.553 176.300 0.022 0.000 0.976 4303 D CA 0.392 54.401 54.000 0.014 0.000 0.884 4303 D CB -0.191 40.618 40.800 0.014 0.000 0.915 4303 D HN 0.162 nan 8.370 nan 0.000 0.526 4304 T N 1.514 116.081 114.554 0.022 0.000 2.933 4304 T HA 0.085 4.435 4.350 0.000 0.000 0.306 4304 T C 0.304 175.019 174.700 0.027 0.000 1.045 4304 T CA 0.689 62.804 62.100 0.026 0.000 1.143 4304 T CB 0.965 69.845 68.868 0.019 0.000 1.003 4304 T HN 0.033 nan 8.240 nan 0.000 0.540 4305 E N 1.627 121.849 120.200 0.037 0.000 2.372 4305 E HA 0.527 4.877 4.350 0.000 0.000 0.279 4305 E C -1.890 174.737 176.600 0.045 0.000 0.946 4305 E CA -0.830 55.593 56.400 0.039 0.000 0.769 4305 E CB 1.088 30.815 29.700 0.046 0.000 1.230 4305 E HN 0.367 nan 8.360 nan 0.000 0.442 4306 L N 3.899 125.143 121.223 0.035 0.000 2.289 4306 L HA 0.622 4.962 4.340 0.000 0.000 0.285 4306 L C -1.247 175.649 176.870 0.043 0.000 1.049 4306 L CA -0.247 54.610 54.840 0.028 0.000 0.804 4306 L CB 0.842 42.908 42.059 0.012 0.000 1.195 4306 L HN 0.596 nan 8.230 nan 0.000 0.428 4307 I N 4.754 125.351 120.570 0.045 0.000 2.354 4307 I HA 0.300 4.470 4.170 0.000 0.000 0.286 4307 I C -0.106 176.027 176.117 0.026 0.000 1.007 4307 I CA -0.442 60.897 61.300 0.065 0.000 1.167 4307 I CB 1.196 39.264 38.000 0.114 0.000 1.320 4307 I HN 0.425 nan 8.210 nan 0.000 0.458 4308 K N 5.267 125.680 120.400 0.023 0.000 2.199 4308 K HA 0.551 4.871 4.320 0.000 0.000 0.226 4308 K C 0.513 177.112 176.600 -0.001 0.000 1.237 4308 K CA -0.078 56.209 56.287 -0.001 0.000 1.170 4308 K CB -0.284 32.214 32.500 -0.003 0.000 1.418 4308 K HN 0.869 nan 8.250 nan 0.000 0.255 4309 G N -1.374 107.419 108.800 -0.012 0.000 2.512 4309 G HA2 0.166 4.126 3.960 0.000 0.000 0.181 4309 G HA3 0.166 4.126 3.960 0.000 0.000 0.181 4309 G C -1.623 173.248 174.900 -0.048 0.000 1.173 4309 G CA -0.739 44.349 45.100 -0.021 0.000 0.988 4309 G HN 0.043 nan 8.290 nan 0.000 0.485 4310 V N 0.835 120.711 119.914 -0.064 0.000 2.531 4310 V HA 0.693 4.813 4.120 0.000 0.000 0.301 4310 V C -0.903 175.102 176.094 -0.148 0.000 1.034 4310 V CA -0.591 61.637 62.300 -0.119 0.000 0.865 4310 V CB 1.449 33.170 31.823 -0.171 0.000 0.995 4310 V HN 0.889 nan 8.190 nan 0.000 0.424 4311 L N 7.611 128.710 121.223 -0.207 0.000 2.305 4311 L HA 0.842 5.182 4.340 0.000 0.000 0.284 4311 L C -0.383 176.329 176.870 -0.263 0.000 1.013 4311 L CA -0.177 54.451 54.840 -0.354 0.000 0.819 4311 L CB 1.648 43.390 42.059 -0.528 0.000 1.227 4311 L HN 0.582 nan 8.230 nan 0.000 0.417 4312 V N 1.585 121.366 119.914 -0.222 0.000 2.769 4312 V HA 0.633 4.754 4.120 0.000 0.000 0.312 4312 V C -0.370 175.667 176.094 -0.096 0.000 1.061 4312 V CA -0.523 61.700 62.300 -0.128 0.000 0.931 4312 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 4312 V HN 0.812 nan 8.190 nan 0.000 0.433 4313 D N 1.001 121.365 120.400 -0.060 0.000 3.134 4313 D HA 0.327 4.967 4.640 0.000 0.000 0.248 4313 D C -0.115 176.188 176.300 0.005 0.000 1.273 4313 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 4313 D CB 0.216 40.998 40.800 -0.030 0.000 1.089 4313 D HN 0.547 nan 8.370 nan 0.000 0.478 4314 K N 0.237 120.655 120.400 0.029 0.000 2.352 4314 K HA 0.558 4.878 4.320 0.000 0.000 0.240 4314 K C 0.002 176.635 176.600 0.055 0.000 1.017 4314 K CA -0.865 55.455 56.287 0.055 0.000 0.851 4314 K CB 1.942 34.504 32.500 0.102 0.000 1.261 4314 K HN 0.294 nan 8.250 nan 0.000 0.451 4315 E N -0.156 120.069 120.200 0.042 0.000 2.416 4315 E HA 0.455 4.805 4.350 0.000 0.000 0.273 4315 E C -0.965 175.638 176.600 0.005 0.000 0.935 4315 E CA -1.091 55.326 56.400 0.029 0.000 0.784 4315 E CB 1.447 31.162 29.700 0.025 0.000 1.301 4315 E HN 0.281 nan 8.360 nan 0.000 0.454 4316 R N 0.922 121.418 120.500 -0.006 0.000 2.401 4316 R HA 0.075 4.415 4.340 0.000 0.000 0.299 4316 R C 1.338 177.625 176.300 -0.023 0.000 1.064 4316 R CA 0.252 56.332 56.100 -0.032 0.000 1.000 4316 R CB 0.878 31.159 30.300 -0.031 0.000 0.973 4316 R HN 0.577 nan 8.270 nan 0.000 0.438 4317 V N -0.139 119.757 119.914 -0.030 0.000 2.867 4317 V HA -0.115 4.005 4.120 0.000 0.000 0.260 4317 V C 0.772 176.859 176.094 -0.012 0.000 1.099 4317 V CA 1.226 63.516 62.300 -0.017 0.000 1.122 4317 V CB -0.152 31.660 31.823 -0.018 0.000 0.708 4317 V HN 0.560 nan 8.190 nan 0.000 0.490 4318 S N -1.011 114.678 115.700 -0.018 0.000 2.521 4318 S HA 0.774 5.244 4.470 0.000 0.000 0.295 4318 S C 0.874 175.466 174.600 -0.014 0.000 1.098 4318 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 4318 S CB 1.858 65.047 63.200 -0.017 0.000 1.034 4318 S HN 0.724 nan 8.310 nan 0.000 0.483 4319 A N 3.019 125.835 122.820 -0.007 0.000 2.070 4319 A HA -0.077 4.243 4.320 0.000 0.000 0.220 4319 A C 1.873 179.451 177.584 -0.011 0.000 1.159 4319 A CA 1.885 53.918 52.037 -0.006 0.000 0.656 4319 A CB -0.674 18.326 19.000 -0.001 0.000 0.800 4319 A HN 0.809 nan 8.150 nan 0.000 0.453 4320 Q N -0.529 119.260 119.800 -0.017 0.000 2.378 4320 Q HA 0.131 4.472 4.340 0.000 0.000 0.205 4320 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 4320 Q CA 0.414 56.199 55.803 -0.028 0.000 0.901 4320 Q CB -0.456 28.255 28.738 -0.045 0.000 0.981 4320 Q HN 0.679 nan 8.270 nan 0.000 0.483 4321 M N 2.251 121.829 119.600 -0.037 0.000 2.245 4321 M HA 0.194 4.674 4.480 0.000 0.000 0.344 4321 M C -1.920 174.363 176.300 -0.029 0.000 1.170 4321 M CA -1.737 53.539 55.300 -0.040 0.000 1.135 4321 M CB 0.389 32.962 32.600 -0.044 0.000 1.574 4321 M HN -0.054 nan 8.290 nan 0.000 0.452 4322 P HA -0.021 nan 4.420 nan 0.000 0.265 4322 P C -0.238 177.054 177.300 -0.013 0.000 1.187 4322 P CA 0.245 63.334 63.100 -0.018 0.000 0.766 4322 P CB 0.467 32.156 31.700 -0.017 0.000 0.820 4323 K N 2.254 122.651 120.400 -0.006 0.000 2.426 4323 K HA 0.008 4.328 4.320 0.000 0.000 0.193 4323 K C 0.147 176.753 176.600 0.010 0.000 1.028 4323 K CA 0.477 56.765 56.287 0.002 0.000 1.047 4323 K CB 0.094 32.595 32.500 0.002 0.000 0.821 4323 K HN 0.448 nan 8.250 nan 0.000 0.513 4324 K N -0.717 119.687 120.400 0.006 0.000 2.561 4324 K HA 0.263 4.583 4.320 0.000 0.000 0.254 4324 K C -1.540 175.065 176.600 0.009 0.000 0.942 4324 K CA -0.942 55.352 56.287 0.012 0.000 0.818 4324 K CB 2.045 34.550 32.500 0.007 0.000 1.306 4324 K HN -0.218 nan 8.250 nan 0.000 0.435 4325 V N 2.204 122.128 119.914 0.017 0.000 2.531 4325 V HA 0.438 4.558 4.120 0.000 0.000 0.301 4325 V C -0.157 175.951 176.094 0.023 0.000 1.034 4325 V CA -0.528 61.780 62.300 0.014 0.000 0.865 4325 V CB 1.813 33.641 31.823 0.009 0.000 0.995 4325 V HN 0.997 nan 8.190 nan 0.000 0.424 4326 T N 0.013 114.578 114.554 0.017 0.000 2.929 4326 T HA 0.535 4.885 4.350 0.000 0.000 0.284 4326 T C 0.178 174.890 174.700 0.021 0.000 1.014 4326 T CA -0.217 61.895 62.100 0.020 0.000 1.051 4326 T CB 1.278 70.154 68.868 0.014 0.000 1.028 4326 T HN 0.778 nan 8.240 nan 0.000 0.485 4327 D N 0.148 120.563 120.400 0.024 0.000 2.689 4327 D HA -0.156 4.484 4.640 0.000 0.000 0.237 4327 D C 0.303 176.620 176.300 0.028 0.000 1.148 4327 D CA 0.825 54.839 54.000 0.024 0.000 0.656 4327 D CB -1.279 39.531 40.800 0.018 0.000 1.050 4327 D HN 1.100 nan 8.370 nan 0.000 0.426 4328 A N 1.347 124.189 122.820 0.036 0.000 2.511 4328 A HA 0.354 4.674 4.320 0.000 0.000 0.242 4328 A C 0.510 178.121 177.584 0.046 0.000 1.069 4328 A CA 0.200 52.262 52.037 0.042 0.000 0.763 4328 A CB 0.545 19.581 19.000 0.060 0.000 1.001 4328 A HN 0.158 nan 8.150 nan 0.000 0.498 4329 K N 3.027 123.451 120.400 0.040 0.000 2.404 4329 K HA 0.383 4.703 4.320 0.000 0.000 0.257 4329 K C -1.213 175.420 176.600 0.055 0.000 1.026 4329 K CA -0.248 56.064 56.287 0.041 0.000 0.951 4329 K CB 0.935 33.451 32.500 0.027 0.000 1.203 4329 K HN 0.524 nan 8.250 nan 0.000 0.446 4330 I N 2.141 122.761 120.570 0.082 0.000 2.371 4330 I HA 0.201 4.371 4.170 0.000 0.000 0.290 4330 I C 0.371 176.555 176.117 0.112 0.000 1.028 4330 I CA -0.145 61.235 61.300 0.133 0.000 1.345 4330 I CB 1.360 39.475 38.000 0.193 0.000 1.407 4330 I HN 0.517 nan 8.210 nan 0.000 0.501 4331 A N 7.502 130.392 122.820 0.117 0.000 2.330 4331 A HA 0.856 5.176 4.320 0.000 0.000 0.327 4331 A C -0.793 176.876 177.584 0.142 0.000 1.155 4331 A CA -0.569 51.524 52.037 0.094 0.000 0.803 4331 A CB 0.706 19.739 19.000 0.054 0.000 1.208 4331 A HN 0.653 nan 8.150 nan 0.000 0.477 4332 L N 3.410 124.697 121.223 0.105 0.000 2.318 4332 L HA 0.420 4.761 4.340 0.000 0.000 0.277 4332 L C -0.918 175.994 176.870 0.070 0.000 1.008 4332 L CA -0.082 54.821 54.840 0.105 0.000 0.846 4332 L CB 0.962 43.062 42.059 0.068 0.000 1.220 4332 L HN 0.572 nan 8.230 nan 0.000 0.423 4333 L N 2.759 124.027 121.223 0.075 0.000 2.325 4333 L HA 0.432 4.772 4.340 0.000 0.000 0.278 4333 L C 0.784 177.684 176.870 0.049 0.000 1.023 4333 L CA -0.340 54.531 54.840 0.052 0.000 0.811 4333 L CB 1.903 43.989 42.059 0.046 0.000 1.249 4333 L HN 0.518 nan 8.230 nan 0.000 0.431 4334 N N 0.821 119.543 118.700 0.036 0.000 2.454 4334 N HA -0.016 4.724 4.740 0.000 0.000 0.177 4334 N C 0.500 176.026 175.510 0.027 0.000 1.049 4334 N CA -0.025 53.043 53.050 0.030 0.000 0.887 4334 N CB 0.331 38.831 38.487 0.022 0.000 1.095 4334 N HN 0.743 nan 8.380 nan 0.000 0.446 4335 C N 1.348 120.663 119.300 0.025 0.000 2.656 4335 C HA 0.779 5.240 4.460 0.000 0.000 0.391 4335 C C 0.984 175.989 174.990 0.025 0.000 1.300 4335 C CA -1.340 57.692 59.018 0.023 0.000 2.302 4335 C CB -0.447 27.305 27.740 0.021 0.000 2.655 4335 C HN 0.426 nan 8.230 nan 0.000 0.656 4336 A N 2.772 125.606 122.820 0.023 0.000 2.388 4336 A HA 0.580 4.900 4.320 0.000 0.000 0.257 4336 A C 0.182 177.782 177.584 0.026 0.000 1.095 4336 A CA -0.598 51.453 52.037 0.024 0.000 0.791 4336 A CB -0.059 18.954 19.000 0.022 0.000 1.029 4336 A HN 0.901 nan 8.150 nan 0.000 0.489 4337 I N 2.759 123.345 120.570 0.027 0.000 2.206 4337 I HA 0.182 4.352 4.170 0.000 0.000 0.292 4337 I C 0.440 176.578 176.117 0.035 0.000 1.156 4337 I CA 0.246 61.565 61.300 0.031 0.000 1.356 4337 I CB -0.693 37.326 38.000 0.032 0.000 1.494 4337 I HN 0.871 nan 8.210 nan 0.000 0.601 4338 E N 3.925 124.145 120.200 0.033 0.000 2.456 4338 E HA 0.469 4.819 4.350 0.000 0.000 0.276 4338 E C -0.753 175.868 176.600 0.034 0.000 0.981 4338 E CA -1.179 55.241 56.400 0.034 0.000 0.814 4338 E CB 1.513 31.230 29.700 0.028 0.000 1.382 4338 E HN 0.020 nan 8.360 nan 0.000 0.459 4339 I N 2.249 122.840 120.570 0.036 0.000 2.705 4339 I HA -0.028 4.142 4.170 0.000 0.000 0.291 4339 I C 0.653 176.789 176.117 0.031 0.000 1.146 4339 I CA 0.461 61.783 61.300 0.037 0.000 1.383 4339 I CB -0.376 37.649 38.000 0.042 0.000 1.454 4339 I HN 0.328 nan 8.210 nan 0.000 0.581 4340 K N 5.194 125.611 120.400 0.028 0.000 2.511 4340 K HA -0.058 4.262 4.320 0.000 0.000 0.280 4340 K C 0.038 176.653 176.600 0.024 0.000 1.008 4340 K CA 0.219 56.521 56.287 0.024 0.000 1.050 4340 K CB 0.390 32.903 32.500 0.022 0.000 0.889 4340 K HN 0.466 nan 8.250 nan 0.000 0.484 4341 E N 2.240 122.452 120.200 0.020 0.000 2.179 4341 E HA 0.151 4.502 4.350 0.000 0.000 0.275 4341 E C -0.836 175.774 176.600 0.015 0.000 0.945 4341 E CA -0.553 55.857 56.400 0.018 0.000 0.792 4341 E CB 0.988 30.696 29.700 0.014 0.000 1.125 4341 E HN 0.578 nan 8.360 nan 0.000 0.397 4342 T N 1.932 116.496 114.554 0.015 0.000 2.903 4342 T HA 0.095 4.445 4.350 0.000 0.000 0.314 4342 T C 0.886 175.592 174.700 0.010 0.000 1.078 4342 T CA -0.490 61.618 62.100 0.014 0.000 1.114 4342 T CB 0.753 69.629 68.868 0.015 0.000 0.987 4342 T HN 0.448 nan 8.240 nan 0.000 0.548 4343 E N 0.722 120.928 120.200 0.010 0.000 2.046 4343 E HA -0.026 4.324 4.350 0.000 0.000 0.190 4343 E C 1.302 177.906 176.600 0.006 0.000 0.982 4343 E CA 0.901 57.306 56.400 0.008 0.000 0.800 4343 E CB -0.580 29.124 29.700 0.008 0.000 0.756 4343 E HN 0.795 nan 8.360 nan 0.000 0.449 4344 T N 1.853 116.411 114.554 0.006 0.000 2.930 4344 T HA -0.005 4.345 4.350 0.000 0.000 0.306 4344 T C -0.328 174.375 174.700 0.004 0.000 1.045 4344 T CA -0.610 61.493 62.100 0.005 0.000 1.134 4344 T CB 0.355 69.227 68.868 0.006 0.000 0.961 4344 T HN -0.178 nan 8.240 nan 0.000 0.545 4345 D N 2.737 123.138 120.400 0.002 0.000 2.450 4345 D HA 0.471 5.111 4.640 0.000 0.000 0.247 4345 D C -0.247 176.052 176.300 -0.002 0.000 1.162 4345 D CA 0.516 54.516 54.000 -0.001 0.000 0.879 4345 D CB 0.703 41.502 40.800 -0.002 0.000 1.163 4345 D HN 0.743 nan 8.370 nan 0.000 0.472 4346 A N 2.805 125.622 122.820 -0.004 0.000 2.547 4346 A HA 0.601 4.921 4.320 0.000 0.000 0.297 4346 A C -0.784 176.789 177.584 -0.017 0.000 1.056 4346 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 4346 A CB 1.655 20.657 19.000 0.002 0.000 1.282 4346 A HN 0.459 nan 8.150 nan 0.000 0.400 4347 E N 0.861 121.044 120.200 -0.029 0.000 2.356 4347 E HA 0.503 4.853 4.350 0.000 0.000 0.275 4347 E C -1.464 175.086 176.600 -0.083 0.000 0.904 4347 E CA -0.836 55.533 56.400 -0.053 0.000 0.757 4347 E CB 2.300 31.970 29.700 -0.049 0.000 1.232 4347 E HN 0.495 nan 8.360 nan 0.000 0.442 4348 I N 2.054 122.535 120.570 -0.147 0.000 2.472 4348 I HA 0.183 4.353 4.170 0.000 0.000 0.290 4348 I C -0.010 175.960 176.117 -0.246 0.000 1.016 4348 I CA -0.253 60.885 61.300 -0.271 0.000 1.348 4348 I CB 0.483 38.152 38.000 -0.552 0.000 1.417 4348 I HN 0.195 nan 8.210 nan 0.000 0.521 4349 R N 6.972 127.342 120.500 -0.216 0.000 2.363 4349 R HA 0.478 4.818 4.340 0.000 0.000 0.297 4349 R C -0.927 175.299 176.300 -0.123 0.000 1.208 4349 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 4349 R CB 0.679 30.938 30.300 -0.068 0.000 1.124 4349 R HN 0.547 nan 8.270 nan 0.000 0.561 4350 I N 0.968 121.449 120.570 -0.147 0.000 2.395 4350 I HA 0.112 4.282 4.170 0.000 0.000 0.289 4350 I C 1.318 177.430 176.117 -0.009 0.000 1.023 4350 I CA 0.263 61.526 61.300 -0.062 0.000 1.350 4350 I CB 1.548 39.509 38.000 -0.066 0.000 1.409 4350 I HN 0.357 nan 8.210 nan 0.000 0.507 4351 T N 3.110 117.682 114.554 0.030 0.000 3.262 4351 T HA 0.113 4.463 4.350 0.000 0.000 0.300 4351 T C -0.502 174.219 174.700 0.035 0.000 0.959 4351 T CA -0.154 61.961 62.100 0.024 0.000 0.936 4351 T CB -0.212 68.668 68.868 0.019 0.000 1.169 4351 T HN 0.619 nan 8.240 nan 0.000 0.532 4352 D N 0.640 121.071 120.400 0.052 0.000 2.896 4352 D HA 0.355 4.995 4.640 0.000 0.000 0.241 4352 D C -2.187 174.144 176.300 0.052 0.000 1.188 4352 D CA -1.811 52.218 54.000 0.048 0.000 0.879 4352 D CB 2.852 43.682 40.800 0.051 0.000 1.553 4352 D HN -0.154 nan 8.370 nan 0.000 0.515 4353 P HA -0.134 nan 4.420 nan 0.000 0.217 4353 P C 0.962 178.286 177.300 0.039 0.000 1.148 4353 P CA 1.348 64.468 63.100 0.034 0.000 0.834 4353 P CB 0.335 32.049 31.700 0.023 0.000 0.783 4354 A N -0.297 122.544 122.820 0.036 0.000 1.898 4354 A HA -0.193 4.127 4.320 0.000 0.000 0.216 4354 A C 2.083 179.694 177.584 0.044 0.000 1.181 4354 A CA 1.581 53.636 52.037 0.030 0.000 0.620 4354 A CB -0.881 18.129 19.000 0.017 0.000 0.819 4354 A HN 0.151 nan 8.150 nan 0.000 0.442 4355 K N -0.813 119.636 120.400 0.081 0.000 2.148 4355 K HA -0.046 4.274 4.320 0.000 0.000 0.204 4355 K C 1.821 178.574 176.600 0.256 0.000 1.050 4355 K CA 1.041 57.427 56.287 0.166 0.000 0.942 4355 K CB -0.307 32.344 32.500 0.252 0.000 0.724 4355 K HN 0.376 nan 8.250 nan 0.000 0.446 4356 L N 0.999 122.317 121.223 0.158 0.000 2.042 4356 L HA -0.199 4.141 4.340 0.000 0.000 0.210 4356 L C 1.995 178.938 176.870 0.122 0.000 1.076 4356 L CA 1.770 56.688 54.840 0.129 0.000 0.749 4356 L CB -0.223 41.877 42.059 0.069 0.000 0.893 4356 L HN 0.177 nan 8.230 nan 0.000 0.432 4357 M N -1.269 118.382 119.600 0.084 0.000 2.193 4357 M HA -0.067 4.413 4.480 0.000 0.000 0.265 4357 M C 2.150 178.475 176.300 0.042 0.000 1.071 4357 M CA 1.134 56.467 55.300 0.054 0.000 1.140 4357 M CB -1.106 31.512 32.600 0.030 0.000 1.369 4357 M HN 0.246 nan 8.290 nan 0.000 0.423 4358 E N 0.013 120.225 120.200 0.019 0.000 2.051 4358 E HA -0.136 4.214 4.350 0.000 0.000 0.192 4358 E C 2.071 178.609 176.600 -0.103 0.000 0.991 4358 E CA 1.402 57.753 56.400 -0.082 0.000 0.799 4358 E CB -0.415 29.176 29.700 -0.182 0.000 0.748 4358 E HN 0.455 nan 8.360 nan 0.000 0.449 4359 F N 0.658 120.611 119.950 0.005 0.000 2.206 4359 F HA -0.051 4.476 4.527 0.000 0.000 0.298 4359 F C 2.400 178.205 175.800 0.008 0.000 1.090 4359 F CA 0.552 58.555 58.000 0.006 0.000 1.323 4359 F CB -0.166 38.837 39.000 0.005 0.000 1.028 4359 F HN -0.053 nan 8.300 nan 0.000 0.492 4360 I N -0.124 120.560 120.570 0.189 0.000 2.286 4360 I HA -0.264 3.907 4.170 0.000 0.000 0.248 4360 I C 2.014 178.176 176.117 0.074 0.000 1.115 4360 I CA 1.515 62.881 61.300 0.110 0.000 1.392 4360 I CB -0.398 37.649 38.000 0.078 0.000 1.065 4360 I HN 0.175 nan 8.210 nan 0.000 0.418 4361 E N -0.012 120.219 120.200 0.052 0.000 2.216 4361 E HA -0.232 4.118 4.350 0.000 0.000 0.192 4361 E C 2.030 178.640 176.600 0.016 0.000 0.988 4361 E CA 0.519 56.936 56.400 0.029 0.000 0.834 4361 E CB 0.035 29.741 29.700 0.009 0.000 0.772 4361 E HN 0.330 nan 8.360 nan 0.000 0.479 4362 Q N 1.023 120.826 119.800 0.005 0.000 2.172 4362 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 4362 Q C 1.769 177.789 176.000 0.034 0.000 0.964 4362 Q CA 1.138 56.933 55.803 -0.014 0.000 0.855 4362 Q CB 0.213 28.900 28.738 -0.085 0.000 0.918 4362 Q HN 0.147 nan 8.270 nan 0.000 0.444 4363 E N 0.286 120.529 120.200 0.071 0.000 2.051 4363 E HA -0.198 4.152 4.350 0.000 0.000 0.192 4363 E C 1.718 178.356 176.600 0.063 0.000 0.991 4363 E CA 1.124 57.568 56.400 0.073 0.000 0.799 4363 E CB -0.155 29.593 29.700 0.082 0.000 0.748 4363 E HN 0.481 nan 8.360 nan 0.000 0.449 4364 E N 1.387 121.626 120.200 0.066 0.000 2.150 4364 E HA -0.197 4.153 4.350 0.000 0.000 0.193 4364 E C 1.926 178.565 176.600 0.064 0.000 0.985 4364 E CA 1.032 57.485 56.400 0.089 0.000 0.814 4364 E CB 0.132 29.890 29.700 0.097 0.000 0.752 4364 E HN -0.055 nan 8.360 nan 0.000 0.466 4365 K N 0.842 121.256 120.400 0.024 0.000 2.057 4365 K HA -0.071 4.249 4.320 0.000 0.000 0.206 4365 K C 2.294 178.881 176.600 -0.022 0.000 1.050 4365 K CA 1.467 57.744 56.287 -0.016 0.000 0.935 4365 K CB -0.534 31.951 32.500 -0.025 0.000 0.715 4365 K HN 0.148 nan 8.250 nan 0.000 0.439 4366 M N -0.200 119.401 119.600 0.002 0.000 2.065 4366 M HA -0.179 4.301 4.480 0.000 0.000 0.259 4366 M C 1.857 178.163 176.300 0.009 0.000 1.069 4366 M CA 1.741 57.045 55.300 0.006 0.000 1.110 4366 M CB -0.267 32.347 32.600 0.024 0.000 1.328 4366 M HN 0.264 nan 8.290 nan 0.000 0.405 4367 L N 0.767 122.010 121.223 0.033 0.000 2.083 4367 L HA -0.196 4.144 4.340 0.000 0.000 0.209 4367 L C 2.366 179.261 176.870 0.043 0.000 1.083 4367 L CA 1.954 56.828 54.840 0.057 0.000 0.752 4367 L CB -0.779 41.339 42.059 0.098 0.000 0.899 4367 L HN 0.350 nan 8.230 nan 0.000 0.433 4368 K N -0.845 119.542 120.400 -0.021 0.000 2.057 4368 K HA -0.197 4.123 4.320 0.000 0.000 0.207 4368 K C 1.600 178.099 176.600 -0.169 0.000 1.049 4368 K CA 1.769 57.913 56.287 -0.237 0.000 0.931 4368 K CB -0.090 32.155 32.500 -0.425 0.000 0.714 4368 K HN 0.344 nan 8.250 nan 0.000 0.440 4369 D N 0.399 120.742 120.400 -0.095 0.000 2.183 4369 D HA -0.112 4.528 4.640 0.000 0.000 0.203 4369 D C 1.880 178.156 176.300 -0.040 0.000 0.969 4369 D CA 1.066 55.025 54.000 -0.068 0.000 0.842 4369 D CB -0.016 40.756 40.800 -0.046 0.000 0.957 4369 D HN 0.305 nan 8.370 nan 0.000 0.484 4370 M N -0.041 119.547 119.600 -0.021 0.000 2.117 4370 M HA -0.131 4.349 4.480 0.000 0.000 0.262 4370 M C 2.222 178.523 176.300 0.000 0.000 1.065 4370 M CA 0.903 56.202 55.300 -0.001 0.000 1.114 4370 M CB -0.068 32.542 32.600 0.016 0.000 1.361 4370 M HN -0.108 nan 8.290 nan 0.000 0.408 4371 V N 0.245 120.159 119.914 -0.000 0.000 2.358 4371 V HA -0.212 3.908 4.120 0.000 0.000 0.246 4371 V C 2.607 178.691 176.094 -0.016 0.000 1.047 4371 V CA 1.885 64.190 62.300 0.008 0.000 1.035 4371 V CB -1.146 30.703 31.823 0.043 0.000 0.658 4371 V HN 0.513 nan 8.190 nan 0.000 0.452 4372 A N -0.358 122.435 122.820 -0.045 0.000 1.972 4372 A HA -0.245 4.075 4.320 0.000 0.000 0.219 4372 A C 2.166 179.734 177.584 -0.026 0.000 1.169 4372 A CA 1.899 53.908 52.037 -0.046 0.000 0.635 4372 A CB -0.405 18.555 19.000 -0.066 0.000 0.810 4372 A HN 0.638 nan 8.150 nan 0.000 0.446 4373 E N -0.426 119.763 120.200 -0.020 0.000 2.107 4373 E HA -0.086 4.265 4.350 0.000 0.000 0.191 4373 E C 1.838 178.435 176.600 -0.004 0.000 0.982 4373 E CA 0.969 57.362 56.400 -0.010 0.000 0.809 4373 E CB -0.241 29.455 29.700 -0.007 0.000 0.756 4373 E HN 0.700 nan 8.360 nan 0.000 0.459 4374 I N 1.209 121.778 120.570 -0.002 0.000 2.226 4374 I HA -0.273 3.897 4.170 0.000 0.000 0.245 4374 I C 2.443 178.560 176.117 -0.001 0.000 1.100 4374 I CA 0.997 62.298 61.300 0.002 0.000 1.374 4374 I CB -0.116 37.886 38.000 0.005 0.000 1.057 4374 I HN -0.019 nan 8.210 nan 0.000 0.413 4375 K N 1.673 122.070 120.400 -0.005 0.000 2.097 4375 K HA -0.073 4.247 4.320 0.000 0.000 0.205 4375 K C 2.025 178.621 176.600 -0.006 0.000 1.050 4375 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 4375 K CB -0.407 32.087 32.500 -0.011 0.000 0.718 4375 K HN 0.254 nan 8.250 nan 0.000 0.442 4376 A N 0.355 123.170 122.820 -0.007 0.000 1.978 4376 A HA -0.166 4.155 4.320 0.000 0.000 0.220 4376 A C 2.129 179.712 177.584 -0.002 0.000 1.170 4376 A CA 2.161 54.194 52.037 -0.006 0.000 0.636 4376 A CB -1.034 17.961 19.000 -0.008 0.000 0.810 4376 A HN 0.555 nan 8.150 nan 0.000 0.448 4377 S N -1.690 114.010 115.700 0.001 0.000 2.442 4377 S HA 0.232 4.702 4.470 0.000 0.000 0.236 4377 S C 1.641 176.245 174.600 0.007 0.000 1.007 4377 S CA 1.479 59.682 58.200 0.005 0.000 0.965 4377 S CB -0.538 62.667 63.200 0.009 0.000 0.773 4377 S HN 1.987 nan 8.310 nan 0.000 0.504 4378 G N 0.570 109.373 108.800 0.004 0.000 2.176 4378 G HA2 -0.060 3.900 3.960 0.000 0.000 0.232 4378 G HA3 -0.060 3.900 3.960 0.000 0.000 0.232 4378 G C 0.256 175.161 174.900 0.007 0.000 0.986 4378 G CA -0.001 45.102 45.100 0.005 0.000 0.643 4378 G HN 1.365 nan 8.290 nan 0.000 0.522 4379 A N 0.407 123.232 122.820 0.008 0.000 2.498 4379 A HA 0.570 4.890 4.320 0.000 0.000 0.239 4379 A C 1.000 178.583 177.584 -0.001 0.000 1.068 4379 A CA 1.290 53.332 52.037 0.010 0.000 0.766 4379 A CB 0.129 19.136 19.000 0.012 0.000 1.003 4379 A HN 1.357 nan 8.150 nan 0.000 0.497 4380 N N -0.355 118.343 118.700 -0.003 0.000 2.067 4380 N HA 0.176 4.916 4.740 0.000 0.000 0.227 4380 N C -0.902 174.587 175.510 -0.036 0.000 1.348 4380 N CA 0.125 53.165 53.050 -0.016 0.000 0.879 4380 N CB 0.523 39.005 38.487 -0.008 0.000 1.109 4380 N HN 0.269 nan 8.380 nan 0.000 0.501 4381 V N 1.516 121.409 119.914 -0.035 0.000 2.531 4381 V HA 0.600 4.720 4.120 0.000 0.000 0.301 4381 V C -1.355 174.667 176.094 -0.121 0.000 1.034 4381 V CA -0.815 61.428 62.300 -0.094 0.000 0.865 4381 V CB 1.812 33.620 31.823 -0.024 0.000 0.995 4381 V HN 0.219 nan 8.190 nan 0.000 0.424 4382 L N 5.538 126.590 121.223 -0.285 0.000 2.410 4382 L HA 0.736 5.076 4.340 0.000 0.000 0.270 4382 L C -1.573 175.035 176.870 -0.437 0.000 0.983 4382 L CA -0.068 54.647 54.840 -0.209 0.000 0.822 4382 L CB 1.742 43.736 42.059 -0.108 0.000 1.285 4382 L HN 0.476 nan 8.230 nan 0.000 0.409 4383 F N 4.631 124.585 119.950 0.006 0.000 2.427 4383 F HA 0.486 5.013 4.527 0.000 0.000 0.348 4383 F C -0.041 175.761 175.800 0.004 0.000 1.125 4383 F CA -0.439 57.563 58.000 0.003 0.000 0.989 4383 F CB 1.603 40.602 39.000 -0.001 0.000 1.165 4383 F HN 0.507 nan 8.300 nan 0.000 0.442 4384 C N 4.891 124.273 119.300 0.136 0.000 2.303 4384 C HA 0.244 4.704 4.460 0.000 0.000 0.326 4384 C C 1.641 176.683 174.990 0.087 0.000 1.285 4384 C CA -0.403 58.667 59.018 0.088 0.000 1.675 4384 C CB 0.758 28.526 27.740 0.046 0.000 2.289 4384 C HN 0.965 nan 8.230 nan 0.000 0.512 4385 Q N 3.396 123.238 119.800 0.070 0.000 2.124 4385 Q HA -0.052 4.289 4.340 0.000 0.000 0.202 4385 Q C 0.791 176.814 176.000 0.039 0.000 0.977 4385 Q CA 1.631 57.465 55.803 0.051 0.000 0.850 4385 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 4385 Q HN 0.758 nan 8.270 nan 0.000 0.429 4386 K N -1.145 119.276 120.400 0.035 0.000 2.632 4386 K HA 0.433 4.753 4.320 0.000 0.000 0.267 4386 K C 0.329 176.946 176.600 0.028 0.000 1.028 4386 K CA -0.203 56.101 56.287 0.028 0.000 1.045 4386 K CB 0.146 32.660 32.500 0.024 0.000 1.400 4386 K HN 0.114 nan 8.250 nan 0.000 0.522 4387 G N 0.263 109.077 108.800 0.023 0.000 2.599 4387 G HA2 0.429 4.389 3.960 0.000 0.000 0.264 4387 G HA3 0.429 4.389 3.960 0.000 0.000 0.264 4387 G C -0.523 174.390 174.900 0.022 0.000 1.200 4387 G CA -0.513 44.599 45.100 0.021 0.000 0.896 4387 G HN 0.371 nan 8.290 nan 0.000 0.536 4388 I N 0.352 120.934 120.570 0.019 0.000 2.499 4388 I HA 0.169 4.339 4.170 0.000 0.000 0.288 4388 I C -0.584 175.546 176.117 0.021 0.000 1.048 4388 I CA -0.790 60.522 61.300 0.021 0.000 1.062 4388 I CB 2.150 40.160 38.000 0.016 0.000 1.238 4388 I HN 0.420 nan 8.210 nan 0.000 0.426 4389 D N 5.240 125.657 120.400 0.028 0.000 2.414 4389 D HA -0.037 4.603 4.640 0.000 0.000 0.242 4389 D C 0.631 176.946 176.300 0.024 0.000 1.129 4389 D CA 0.141 54.156 54.000 0.026 0.000 0.885 4389 D CB 1.320 42.141 40.800 0.035 0.000 1.198 4389 D HN 0.496 nan 8.370 nan 0.000 0.437 4390 D N 3.133 123.540 120.400 0.012 0.000 2.190 4390 D HA -0.169 4.471 4.640 0.000 0.000 0.200 4390 D C 1.912 178.209 176.300 -0.005 0.000 0.992 4390 D CA 0.765 54.766 54.000 0.002 0.000 0.854 4390 D CB 0.260 41.053 40.800 -0.012 0.000 0.936 4390 D HN 0.342 nan 8.370 nan 0.000 0.462 4391 L N 1.006 122.227 121.223 -0.003 0.000 2.056 4391 L HA -0.075 4.265 4.340 0.000 0.000 0.207 4391 L C 2.525 179.423 176.870 0.046 0.000 1.078 4391 L CA 1.224 56.051 54.840 -0.023 0.000 0.749 4391 L CB -1.068 41.008 42.059 0.028 0.000 0.901 4391 L HN -0.051 nan 8.230 nan 0.000 0.433 4392 A N -1.334 121.551 122.820 0.108 0.000 1.930 4392 A HA -0.225 4.095 4.320 0.000 0.000 0.217 4392 A C 2.214 179.862 177.584 0.107 0.000 1.175 4392 A CA 1.325 53.455 52.037 0.155 0.000 0.627 4392 A CB -0.433 18.630 19.000 0.105 0.000 0.815 4392 A HN 0.525 nan 8.150 nan 0.000 0.443 4393 Q N -1.280 118.554 119.800 0.056 0.000 2.084 4393 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 4393 Q C 2.156 178.169 176.000 0.022 0.000 0.978 4393 Q CA 1.530 57.350 55.803 0.029 0.000 0.844 4393 Q CB -0.391 28.357 28.738 0.017 0.000 0.898 4393 Q HN 0.910 nan 8.270 nan 0.000 0.426 4394 H N -0.250 118.765 119.070 -0.090 0.000 2.293 4394 H HA -0.164 4.392 4.556 0.000 0.000 0.300 4394 H C 1.548 176.816 175.328 -0.100 0.000 1.082 4394 H CA 1.590 57.547 56.048 -0.151 0.000 1.308 4394 H CB -0.057 29.529 29.762 -0.294 0.000 1.375 4394 H HN 0.266 nan 8.280 nan 0.000 0.495 4395 Y N 0.910 121.227 120.300 0.030 0.000 2.274 4395 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 4395 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 4395 Y CA 0.636 58.719 58.100 -0.029 0.000 1.203 4395 Y CB -0.522 37.976 38.460 0.063 0.000 0.984 4395 Y HN 0.155 nan 8.280 nan 0.000 0.533 4396 L N -1.116 120.161 121.223 0.089 0.000 2.046 4396 L HA -0.235 4.105 4.340 0.000 0.000 0.208 4396 L C 2.642 179.491 176.870 -0.034 0.000 1.077 4396 L CA 1.219 56.071 54.840 0.020 0.000 0.747 4396 L CB -0.813 41.251 42.059 0.009 0.000 0.896 4396 L HN 0.191 nan 8.230 nan 0.000 0.432 4397 A N -0.442 122.330 122.820 -0.080 0.000 1.933 4397 A HA -0.168 4.152 4.320 0.000 0.000 0.218 4397 A C 2.249 179.759 177.584 -0.124 0.000 1.175 4397 A CA 1.381 53.353 52.037 -0.108 0.000 0.628 4397 A CB -0.234 18.685 19.000 -0.135 0.000 0.814 4397 A HN 0.195 nan 8.150 nan 0.000 0.444 4398 K N -0.047 120.249 120.400 -0.173 0.000 2.296 4398 K HA -0.003 4.317 4.320 0.000 0.000 0.200 4398 K C 1.152 177.726 176.600 -0.043 0.000 1.048 4398 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 4398 K CB -0.055 32.354 32.500 -0.150 0.000 0.754 4398 K HN 0.475 nan 8.250 nan 0.000 0.466 4399 E N -0.107 120.079 120.200 -0.024 0.000 2.489 4399 E HA 0.023 4.373 4.350 0.000 0.000 0.193 4399 E C 0.742 177.330 176.600 -0.020 0.000 1.057 4399 E CA 0.352 56.745 56.400 -0.012 0.000 0.866 4399 E CB 0.210 29.909 29.700 -0.002 0.000 0.916 4399 E HN 0.433 nan 8.360 nan 0.000 0.500 4400 G N 1.876 110.658 108.800 -0.030 0.000 2.147 4400 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 4400 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 4400 G C 0.242 175.124 174.900 -0.031 0.000 1.005 4400 G CA 0.146 45.228 45.100 -0.030 0.000 0.713 4400 G HN 0.257 nan 8.290 nan 0.000 0.515 4401 I N 1.149 121.698 120.570 -0.034 0.000 2.315 4401 I HA 0.442 4.612 4.170 0.000 0.000 0.291 4401 I C 1.018 177.100 176.117 -0.059 0.000 1.006 4401 I CA -1.143 60.132 61.300 -0.041 0.000 1.265 4401 I CB 1.563 39.543 38.000 -0.033 0.000 1.387 4401 I HN 0.151 nan 8.210 nan 0.000 0.475 4402 V N 3.825 123.694 119.914 -0.076 0.000 2.644 4402 V HA 0.937 5.058 4.120 0.000 0.000 0.295 4402 V C 0.050 176.044 176.094 -0.167 0.000 1.053 4402 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 4402 V CB 1.264 33.029 31.823 -0.097 0.000 1.006 4402 V HN 0.855 nan 8.190 nan 0.000 0.472 4403 A N 3.235 125.951 122.820 -0.173 0.000 2.594 4403 A HA 1.004 5.324 4.320 0.000 0.000 0.295 4403 A C -0.468 177.000 177.584 -0.193 0.000 1.071 4403 A CA -0.330 51.577 52.037 -0.217 0.000 0.685 4403 A CB 1.741 20.668 19.000 -0.122 0.000 1.285 4403 A HN 2.449 nan 8.150 nan 0.000 0.405 4404 A N 1.436 124.122 122.820 -0.224 0.000 2.398 4404 A HA 0.764 5.084 4.320 0.000 0.000 0.301 4404 A C -0.153 177.428 177.584 -0.005 0.000 1.041 4404 A CA -0.551 51.434 52.037 -0.088 0.000 0.711 4404 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 4404 A HN 1.352 nan 8.150 nan 0.000 0.420 4405 R N 1.691 122.201 120.500 0.016 0.000 2.608 4405 R HA 0.731 5.071 4.340 0.000 0.000 0.255 4405 R C -0.346 175.983 176.300 0.048 0.000 1.086 4405 R CA -0.741 55.378 56.100 0.033 0.000 1.125 4405 R CB 0.400 30.712 30.300 0.019 0.000 1.193 4405 R HN 0.504 nan 8.270 nan 0.000 0.553 4406 R N -0.946 119.579 120.500 0.043 0.000 3.516 4406 R HA -0.110 4.230 4.340 0.000 0.000 0.271 4406 R C -0.712 175.615 176.300 0.045 0.000 1.098 4406 R CA 0.572 56.694 56.100 0.037 0.000 0.732 4406 R CB -2.663 27.653 30.300 0.026 0.000 1.152 4406 R HN 0.528 nan 8.270 nan 0.000 0.455 4407 V N 1.513 121.467 119.914 0.067 0.000 2.572 4407 V HA 0.035 4.155 4.120 0.000 0.000 0.291 4407 V C 1.492 177.605 176.094 0.031 0.000 1.039 4407 V CA -0.127 62.217 62.300 0.073 0.000 1.055 4407 V CB 1.164 33.068 31.823 0.134 0.000 0.969 4407 V HN 0.148 nan 8.190 nan 0.000 0.482 4408 K N 4.138 124.544 120.400 0.010 0.000 2.489 4408 K HA -0.025 4.295 4.320 0.000 0.000 0.278 4408 K C 1.376 177.967 176.600 -0.015 0.000 1.000 4408 K CA 0.090 56.373 56.287 -0.006 0.000 1.012 4408 K CB 0.321 32.810 32.500 -0.017 0.000 0.903 4408 K HN 0.710 nan 8.250 nan 0.000 0.485 4409 K N 2.297 122.691 120.400 -0.010 0.000 2.113 4409 K HA -0.218 4.102 4.320 0.000 0.000 0.208 4409 K C 1.863 178.447 176.600 -0.028 0.000 1.047 4409 K CA 2.024 58.302 56.287 -0.014 0.000 0.928 4409 K CB -0.139 32.356 32.500 -0.008 0.000 0.716 4409 K HN 0.619 nan 8.250 nan 0.000 0.446 4410 S N 0.653 116.334 115.700 -0.031 0.000 2.368 4410 S HA -0.156 4.314 4.470 0.000 0.000 0.225 4410 S C 1.348 175.911 174.600 -0.062 0.000 1.030 4410 S CA 1.735 59.911 58.200 -0.040 0.000 0.999 4410 S CB -0.340 62.839 63.200 -0.036 0.000 0.844 4410 S HN 0.372 nan 8.310 nan 0.000 0.459 4411 D N 0.858 121.214 120.400 -0.074 0.000 2.144 4411 D HA -0.034 4.606 4.640 0.000 0.000 0.200 4411 D C 1.975 178.182 176.300 -0.155 0.000 0.978 4411 D CA 0.877 54.805 54.000 -0.120 0.000 0.833 4411 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 4411 D HN 0.375 nan 8.370 nan 0.000 0.470 4412 M N 0.475 120.012 119.600 -0.106 0.000 2.159 4412 M HA -0.088 4.392 4.480 0.000 0.000 0.263 4412 M C 1.880 178.130 176.300 -0.084 0.000 1.063 4412 M CA 1.195 56.439 55.300 -0.093 0.000 1.110 4412 M CB -0.734 31.845 32.600 -0.034 0.000 1.374 4412 M HN 0.111 nan 8.290 nan 0.000 0.411 4413 E N -0.005 120.155 120.200 -0.067 0.000 2.107 4413 E HA -0.134 4.216 4.350 0.000 0.000 0.191 4413 E C 2.011 178.571 176.600 -0.068 0.000 0.982 4413 E CA 0.821 57.189 56.400 -0.054 0.000 0.809 4413 E CB 0.022 29.698 29.700 -0.040 0.000 0.756 4413 E HN 0.499 nan 8.360 nan 0.000 0.459 4414 K N 0.534 120.881 120.400 -0.088 0.000 2.148 4414 K HA -0.059 4.261 4.320 0.000 0.000 0.204 4414 K C 2.108 178.638 176.600 -0.117 0.000 1.050 4414 K CA 0.639 56.868 56.287 -0.095 0.000 0.942 4414 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 4414 K HN 0.088 nan 8.250 nan 0.000 0.446 4415 L N 0.370 121.496 121.223 -0.161 0.000 2.093 4415 L HA -0.149 4.191 4.340 0.000 0.000 0.208 4415 L C 2.545 179.355 176.870 -0.101 0.000 1.085 4415 L CA 0.998 55.725 54.840 -0.188 0.000 0.755 4415 L CB -0.492 41.370 42.059 -0.329 0.000 0.904 4415 L HN 0.183 nan 8.230 nan 0.000 0.435 4416 A N 0.225 123.001 122.820 -0.073 0.000 1.877 4416 A HA -0.212 4.108 4.320 0.000 0.000 0.216 4416 A C 2.323 179.891 177.584 -0.026 0.000 1.186 4416 A CA 1.686 53.702 52.037 -0.035 0.000 0.620 4416 A CB -0.300 18.685 19.000 -0.026 0.000 0.822 4416 A HN 0.316 nan 8.150 nan 0.000 0.443 4417 K N -0.436 119.943 120.400 -0.035 0.000 2.103 4417 K HA 0.068 4.388 4.320 0.000 0.000 0.204 4417 K C 2.339 178.922 176.600 -0.028 0.000 1.052 4417 K CA 0.936 57.208 56.287 -0.026 0.000 0.945 4417 K CB -0.256 32.225 32.500 -0.032 0.000 0.722 4417 K HN 0.426 nan 8.250 nan 0.000 0.443 4418 A N 1.345 124.138 122.820 -0.044 0.000 1.840 4418 A HA -0.146 4.174 4.320 0.000 0.000 0.214 4418 A C 2.329 179.900 177.584 -0.021 0.000 1.198 4418 A CA 2.211 54.222 52.037 -0.045 0.000 0.608 4418 A CB -1.097 17.867 19.000 -0.060 0.000 0.839 4418 A HN 0.437 nan 8.150 nan 0.000 0.443 4419 T N -4.156 110.389 114.554 -0.016 0.000 3.043 4419 T HA 0.356 4.706 4.350 0.000 0.000 0.263 4419 T C 1.425 176.137 174.700 0.021 0.000 1.094 4419 T CA 1.245 63.350 62.100 0.009 0.000 1.127 4419 T CB -0.154 68.724 68.868 0.017 0.000 0.905 4419 T HN 1.853 nan 8.240 nan 0.000 0.490 4420 G N 1.349 110.157 108.800 0.014 0.000 2.137 4420 G HA2 -0.001 3.959 3.960 0.000 0.000 0.237 4420 G HA3 -0.001 3.959 3.960 0.000 0.000 0.237 4420 G C 0.220 175.132 174.900 0.020 0.000 1.002 4420 G CA -0.039 45.074 45.100 0.022 0.000 0.702 4420 G HN 1.175 nan 8.290 nan 0.000 0.515 4421 A N -0.386 122.444 122.820 0.016 0.000 2.407 4421 A HA 0.623 4.943 4.320 0.000 0.000 0.248 4421 A C 0.418 178.012 177.584 0.016 0.000 1.082 4421 A CA 0.374 52.425 52.037 0.023 0.000 0.785 4421 A CB 0.475 19.494 19.000 0.032 0.000 1.020 4421 A HN 0.773 nan 8.150 nan 0.000 0.489 4422 N N 1.214 119.927 118.700 0.021 0.000 2.421 4422 N HA 0.371 5.111 4.740 0.000 0.000 0.285 4422 N C -0.879 174.642 175.510 0.019 0.000 1.027 4422 N CA -0.364 52.696 53.050 0.017 0.000 0.918 4422 N CB 1.308 39.804 38.487 0.016 0.000 1.152 4422 N HN 0.281 nan 8.380 nan 0.000 0.485 4423 V N 4.900 124.822 119.914 0.014 0.000 2.446 4423 V HA 0.180 4.300 4.120 0.000 0.000 0.276 4423 V C 0.257 176.362 176.094 0.018 0.000 1.030 4423 V CA -0.086 62.223 62.300 0.016 0.000 1.033 4423 V CB -0.268 31.560 31.823 0.008 0.000 0.993 4423 V HN 0.514 nan 8.190 nan 0.000 0.477 4424 I N 4.008 124.593 120.570 0.024 0.000 2.474 4424 I HA 0.455 4.625 4.170 0.000 0.000 0.294 4424 I C 0.975 177.106 176.117 0.022 0.000 1.005 4424 I CA -0.374 60.939 61.300 0.022 0.000 1.113 4424 I CB 1.479 39.493 38.000 0.023 0.000 1.289 4424 I HN 0.602 nan 8.210 nan 0.000 0.436 4425 A N 5.484 128.315 122.820 0.018 0.000 1.840 4425 A HA 0.361 4.681 4.320 0.000 0.000 0.214 4425 A C 1.109 178.704 177.584 0.018 0.000 1.198 4425 A CA 1.111 53.158 52.037 0.017 0.000 0.608 4425 A CB -0.154 18.854 19.000 0.014 0.000 0.839 4425 A HN 0.732 nan 8.150 nan 0.000 0.443 4426 A N -1.102 121.728 122.820 0.017 0.000 2.312 4426 A HA 0.651 4.972 4.320 0.000 0.000 0.328 4426 A C 0.823 178.417 177.584 0.016 0.000 1.158 4426 A CA -0.571 51.476 52.037 0.016 0.000 0.821 4426 A CB 0.400 19.408 19.000 0.013 0.000 1.170 4426 A HN 0.347 nan 8.150 nan 0.000 0.490 4427 I N 1.480 122.059 120.570 0.016 0.000 2.226 4427 I HA -0.287 3.883 4.170 0.000 0.000 0.245 4427 I C 2.778 178.902 176.117 0.012 0.000 1.100 4427 I CA 1.750 63.059 61.300 0.015 0.000 1.374 4427 I CB -0.269 37.740 38.000 0.015 0.000 1.057 4427 I HN 0.760 nan 8.210 nan 0.000 0.413 4428 A N 0.726 123.552 122.820 0.010 0.000 1.978 4428 A HA -0.181 4.139 4.320 0.000 0.000 0.220 4428 A C 2.447 180.035 177.584 0.008 0.000 1.170 4428 A CA 1.862 53.904 52.037 0.007 0.000 0.636 4428 A CB -0.713 18.290 19.000 0.006 0.000 0.810 4428 A HN 0.457 nan 8.150 nan 0.000 0.448 4429 A N -0.742 122.083 122.820 0.010 0.000 2.168 4429 A HA 0.308 4.628 4.320 0.000 0.000 0.215 4429 A C 0.991 178.581 177.584 0.011 0.000 1.152 4429 A CA -0.024 52.019 52.037 0.010 0.000 0.716 4429 A CB -0.466 18.541 19.000 0.011 0.000 0.794 4429 A HN 0.460 nan 8.150 nan 0.000 0.465 4430 L N 1.454 122.684 121.223 0.013 0.000 2.490 4430 L HA 0.215 4.555 4.340 0.000 0.000 0.274 4430 L C 0.667 177.544 176.870 0.011 0.000 1.201 4430 L CA 0.251 55.099 54.840 0.014 0.000 0.869 4430 L CB 0.573 42.641 42.059 0.015 0.000 1.123 4430 L HN 0.490 nan 8.230 nan 0.000 0.484 4431 S N 1.206 116.914 115.700 0.013 0.000 2.625 4431 S HA 0.569 5.039 4.470 0.000 0.000 0.271 4431 S C 0.356 174.964 174.600 0.013 0.000 1.161 4431 S CA -0.291 57.916 58.200 0.011 0.000 0.820 4431 S CB 1.520 64.725 63.200 0.009 0.000 1.137 4431 S HN 0.602 nan 8.310 nan 0.000 0.470 4432 A N 0.571 123.397 122.820 0.011 0.000 1.978 4432 A HA -0.133 4.187 4.320 0.000 0.000 0.220 4432 A C 2.057 179.650 177.584 0.014 0.000 1.170 4432 A CA 2.023 54.068 52.037 0.013 0.000 0.636 4432 A CB -1.110 17.896 19.000 0.010 0.000 0.810 4432 A HN 0.901 nan 8.150 nan 0.000 0.448 4433 Q N -0.795 119.013 119.800 0.012 0.000 2.369 4433 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 4433 Q C 0.534 176.543 176.000 0.015 0.000 0.963 4433 Q CA 1.290 57.101 55.803 0.013 0.000 0.894 4433 Q CB 0.008 28.752 28.738 0.010 0.000 0.965 4433 Q HN 0.610 nan 8.270 nan 0.000 0.475 4434 D N -0.146 120.264 120.400 0.017 0.000 2.354 4434 D HA 0.078 4.719 4.640 0.000 0.000 0.209 4434 D C 0.122 176.438 176.300 0.025 0.000 1.015 4434 D CA 0.212 54.224 54.000 0.019 0.000 0.867 4434 D CB 0.392 41.203 40.800 0.019 0.000 0.933 4434 D HN 0.272 nan 8.370 nan 0.000 0.520 4435 L N 0.707 121.946 121.223 0.027 0.000 2.395 4435 L HA 0.397 4.737 4.340 0.000 0.000 0.269 4435 L C 1.193 178.084 176.870 0.034 0.000 1.133 4435 L CA -0.502 54.358 54.840 0.034 0.000 0.812 4435 L CB 1.205 43.283 42.059 0.032 0.000 1.125 4435 L HN -0.138 nan 8.230 nan 0.000 0.452 4436 G N 0.532 109.358 108.800 0.043 0.000 2.491 4436 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 4436 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 4436 G C -1.340 173.587 174.900 0.046 0.000 1.189 4436 G CA -0.424 44.701 45.100 0.041 0.000 0.956 4436 G HN 0.519 nan 8.290 nan 0.000 0.491 4437 D N -0.328 120.097 120.400 0.042 0.000 2.362 4437 D HA 0.657 5.297 4.640 0.000 0.000 0.247 4437 D C -0.269 176.058 176.300 0.046 0.000 1.050 4437 D CA 0.058 54.084 54.000 0.043 0.000 0.839 4437 D CB 1.979 42.801 40.800 0.037 0.000 1.283 4437 D HN 0.590 nan 8.370 nan 0.000 0.477 4438 A N 0.423 123.274 122.820 0.051 0.000 2.486 4438 A HA 0.649 4.969 4.320 0.000 0.000 0.300 4438 A C 1.000 178.614 177.584 0.049 0.000 1.048 4438 A CA -0.407 51.662 52.037 0.053 0.000 0.696 4438 A CB 1.670 20.712 19.000 0.071 0.000 1.278 4438 A HN 0.487 nan 8.150 nan 0.000 0.405 4439 G N 0.179 109.005 108.800 0.044 0.000 2.402 4439 G HA2 0.312 4.272 3.960 0.000 0.000 0.216 4439 G HA3 0.312 4.272 3.960 0.000 0.000 0.216 4439 G C 0.279 175.202 174.900 0.040 0.000 1.162 4439 G CA 1.658 46.780 45.100 0.038 0.000 0.777 4439 G HN 1.177 nan 8.290 nan 0.000 0.539 4440 L N -0.154 121.100 121.223 0.051 0.000 2.493 4440 L HA 0.639 4.979 4.340 0.000 0.000 0.265 4440 L C -1.414 175.506 176.870 0.083 0.000 0.954 4440 L CA -0.800 54.073 54.840 0.055 0.000 0.844 4440 L CB 2.545 44.630 42.059 0.043 0.000 1.302 4440 L HN -0.133 nan 8.230 nan 0.000 0.405 4441 V N 4.218 124.183 119.914 0.084 0.000 2.407 4441 V HA 0.638 4.758 4.120 0.000 0.000 0.291 4441 V C -0.535 175.617 176.094 0.096 0.000 1.018 4441 V CA -0.440 61.929 62.300 0.114 0.000 0.842 4441 V CB 1.456 33.348 31.823 0.114 0.000 0.996 4441 V HN 0.827 nan 8.190 nan 0.000 0.426 4442 E N 3.186 123.466 120.200 0.133 0.000 2.292 4442 E HA 0.412 4.762 4.350 0.000 0.000 0.272 4442 E C -1.039 175.657 176.600 0.160 0.000 0.881 4442 E CA -0.656 55.805 56.400 0.102 0.000 0.754 4442 E CB 2.194 31.922 29.700 0.047 0.000 1.201 4442 E HN 0.751 nan 8.360 nan 0.000 0.425 4443 E N 4.311 124.575 120.200 0.108 0.000 2.130 4443 E HA 0.261 4.611 4.350 0.000 0.000 0.284 4443 E C -0.898 175.761 176.600 0.097 0.000 1.018 4443 E CA -0.286 56.189 56.400 0.125 0.000 0.817 4443 E CB 0.698 30.442 29.700 0.072 0.000 1.078 4443 E HN 0.354 nan 8.360 nan 0.000 0.396 4444 R N 3.427 124.021 120.500 0.158 0.000 2.807 4444 R HA 0.381 4.721 4.340 0.000 0.000 0.276 4444 R C -0.740 175.631 176.300 0.118 0.000 0.979 4444 R CA -0.964 55.178 56.100 0.070 0.000 0.928 4444 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 4444 R HN 0.321 nan 8.270 nan 0.000 0.471 4445 K N 2.489 122.923 120.400 0.056 0.000 2.262 4445 K HA 0.335 4.655 4.320 0.000 0.000 0.282 4445 K C -0.482 176.157 176.600 0.066 0.000 1.066 4445 K CA -0.328 55.996 56.287 0.061 0.000 0.901 4445 K CB 0.792 33.311 32.500 0.031 0.000 1.089 4445 K HN 0.254 nan 8.250 nan 0.000 0.476 4446 I N 2.523 123.153 120.570 0.100 0.000 2.359 4446 I HA 0.051 4.221 4.170 0.000 0.000 0.284 4446 I C 0.700 176.854 176.117 0.061 0.000 1.018 4446 I CA -0.178 61.182 61.300 0.101 0.000 1.173 4446 I CB 0.658 38.762 38.000 0.175 0.000 1.326 4446 I HN 0.727 nan 8.210 nan 0.000 0.462 4447 S N 4.552 120.276 115.700 0.041 0.000 3.635 4447 S HA -0.212 4.258 4.470 0.000 0.000 0.328 4447 S C 1.389 176.002 174.600 0.022 0.000 1.135 4447 S CA 1.543 59.758 58.200 0.025 0.000 0.942 4447 S CB -1.046 62.167 63.200 0.022 0.000 0.930 4447 S HN 1.472 nan 8.310 nan 0.000 0.512 4448 G N -0.049 108.766 108.800 0.025 0.000 2.363 4448 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 4448 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 4448 G C -0.295 174.622 174.900 0.028 0.000 1.062 4448 G CA 0.306 45.419 45.100 0.022 0.000 0.629 4448 G HN 0.686 nan 8.290 nan 0.000 0.514 4449 D N 1.892 122.311 120.400 0.032 0.000 2.425 4449 D HA 0.460 5.100 4.640 0.000 0.000 0.247 4449 D C 1.020 177.352 176.300 0.053 0.000 1.147 4449 D CA 0.823 54.843 54.000 0.034 0.000 0.879 4449 D CB 1.276 42.092 40.800 0.027 0.000 1.179 4449 D HN 0.652 nan 8.370 nan 0.000 0.456 4450 S N 2.389 118.118 115.700 0.048 0.000 2.488 4450 S HA 0.461 4.931 4.470 0.000 0.000 0.278 4450 S C 0.129 174.771 174.600 0.070 0.000 1.259 4450 S CA -0.610 57.628 58.200 0.063 0.000 1.061 4450 S CB 0.503 63.730 63.200 0.046 0.000 0.910 4450 S HN 0.365 nan 8.310 nan 0.000 0.491 4451 M N 2.901 122.570 119.600 0.115 0.000 2.550 4451 M HA 0.517 4.997 4.480 0.000 0.000 0.292 4451 M C -1.094 175.296 176.300 0.150 0.000 1.221 4451 M CA -0.576 54.775 55.300 0.084 0.000 0.873 4451 M CB 2.283 34.907 32.600 0.040 0.000 1.727 4451 M HN 0.549 nan 8.290 nan 0.000 0.459 4452 I N 1.782 122.386 120.570 0.056 0.000 2.362 4452 I HA 0.367 4.537 4.170 0.000 0.000 0.289 4452 I C -1.332 174.795 176.117 0.016 0.000 0.994 4452 I CA -0.388 60.995 61.300 0.140 0.000 1.158 4452 I CB 1.066 39.172 38.000 0.177 0.000 1.315 4452 I HN 0.467 nan 8.210 nan 0.000 0.451 4453 F N 6.115 126.102 119.950 0.062 0.000 2.334 4453 F HA 0.333 4.860 4.527 0.000 0.000 0.367 4453 F C 0.129 175.965 175.800 0.060 0.000 1.115 4453 F CA -0.677 57.351 58.000 0.046 0.000 1.116 4453 F CB 1.225 40.242 39.000 0.028 0.000 1.230 4453 F HN 0.037 nan 8.300 nan 0.000 0.484 4454 V N 4.651 124.654 119.914 0.149 0.000 2.304 4454 V HA 0.315 4.435 4.120 0.000 0.000 0.269 4454 V C -0.136 176.013 176.094 0.092 0.000 1.036 4454 V CA -0.516 61.858 62.300 0.124 0.000 0.840 4454 V CB 0.343 32.217 31.823 0.084 0.000 1.036 4454 V HN 0.793 nan 8.190 nan 0.000 0.466 4455 E N 3.160 123.424 120.200 0.107 0.000 2.423 4455 E HA 0.609 4.959 4.350 0.000 0.000 0.269 4455 E C -0.727 175.909 176.600 0.060 0.000 0.948 4455 E CA -0.856 55.596 56.400 0.086 0.000 0.802 4455 E CB 1.570 31.340 29.700 0.117 0.000 1.339 4455 E HN 0.206 nan 8.360 nan 0.000 0.445 4456 E N -0.793 119.434 120.200 0.045 0.000 2.416 4456 E HA -0.150 4.200 4.350 0.000 0.000 0.249 4456 E C -0.726 175.893 176.600 0.032 0.000 1.124 4456 E CA 0.569 56.989 56.400 0.034 0.000 0.732 4456 E CB -2.290 27.430 29.700 0.034 0.000 1.286 4456 E HN 0.567 nan 8.360 nan 0.000 0.394 4457 C N 0.640 119.955 119.300 0.026 0.000 2.676 4457 C HA 0.068 4.528 4.460 0.000 0.000 0.416 4457 C C 2.282 177.290 174.990 0.031 0.000 1.299 4457 C CA -0.157 58.875 59.018 0.024 0.000 2.048 4457 C CB 0.451 28.194 27.740 0.006 0.000 2.713 4457 C HN 0.410 nan 8.230 nan 0.000 0.624 4458 K N 0.630 121.059 120.400 0.047 0.000 1.969 4458 K HA -0.145 4.175 4.320 0.000 0.000 0.216 4458 K C 0.601 177.270 176.600 0.115 0.000 1.048 4458 K CA 1.714 58.043 56.287 0.070 0.000 0.948 4458 K CB -0.124 32.418 32.500 0.070 0.000 0.726 4458 K HN 0.749 nan 8.250 nan 0.000 0.442 4459 H N 0.622 119.695 119.070 0.006 0.000 2.569 4459 H HA 0.217 4.773 4.556 0.000 0.000 0.247 4459 H C -2.676 172.653 175.328 0.001 0.000 1.346 4459 H CA -2.319 53.731 56.048 0.004 0.000 1.502 4459 H CB 0.538 30.302 29.762 0.003 0.000 1.512 4459 H HN -0.020 nan 8.280 nan 0.000 0.502 4460 P HA 0.075 nan 4.420 nan 0.000 0.271 4460 P C 0.318 177.479 177.300 -0.232 0.000 1.220 4460 P CA -0.263 62.748 63.100 -0.148 0.000 0.768 4460 P CB 1.668 33.309 31.700 -0.099 0.000 0.848 4461 K N 1.620 121.942 120.400 -0.131 0.000 2.374 4461 K HA 0.316 4.636 4.320 0.000 0.000 0.196 4461 K C -0.038 176.517 176.600 -0.075 0.000 1.023 4461 K CA -0.079 56.147 56.287 -0.102 0.000 1.103 4461 K CB 0.361 32.839 32.500 -0.037 0.000 0.848 4461 K HN 0.576 nan 8.250 nan 0.000 0.528 4462 A N 0.956 123.732 122.820 -0.075 0.000 2.427 4462 A HA 0.528 4.848 4.320 0.000 0.000 0.298 4462 A C -0.940 176.606 177.584 -0.065 0.000 1.036 4462 A CA -0.740 51.258 52.037 -0.063 0.000 0.701 4462 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 4462 A HN 0.042 nan 8.150 nan 0.000 0.412 4463 V N -0.796 119.083 119.914 -0.057 0.000 3.074 4463 V HA 0.969 5.089 4.120 0.000 0.000 0.314 4463 V C -0.428 175.636 176.094 -0.049 0.000 1.117 4463 V CA -0.613 61.658 62.300 -0.049 0.000 1.014 4463 V CB 1.722 33.521 31.823 -0.041 0.000 1.057 4463 V HN 0.826 nan 8.190 nan 0.000 0.438 4464 T N 3.966 118.493 114.554 -0.045 0.000 2.841 4464 T HA 0.552 4.902 4.350 0.000 0.000 0.285 4464 T C -0.572 174.109 174.700 -0.032 0.000 0.991 4464 T CA -0.207 61.861 62.100 -0.053 0.000 0.966 4464 T CB 1.358 70.172 68.868 -0.089 0.000 0.962 4464 T HN 0.956 nan 8.240 nan 0.000 0.438 4465 M N 4.626 124.210 119.600 -0.028 0.000 2.101 4465 M HA 0.544 5.024 4.480 0.000 0.000 0.340 4465 M C -1.420 174.875 176.300 -0.010 0.000 1.057 4465 M CA -1.087 54.208 55.300 -0.009 0.000 0.984 4465 M CB 0.562 33.157 32.600 -0.008 0.000 1.560 4465 M HN 0.485 nan 8.290 nan 0.000 0.435 4466 L N 7.059 128.290 121.223 0.013 0.000 2.257 4466 L HA 0.518 4.859 4.340 0.000 0.000 0.290 4466 L C -1.386 175.502 176.870 0.030 0.000 1.044 4466 L CA -0.035 54.818 54.840 0.022 0.000 0.810 4466 L CB 0.808 42.909 42.059 0.071 0.000 1.193 4466 L HN 0.674 nan 8.230 nan 0.000 0.425 4467 I N 5.964 126.544 120.570 0.017 0.000 2.331 4467 I HA 0.481 4.651 4.170 0.000 0.000 0.292 4467 I C 0.163 176.293 176.117 0.022 0.000 0.998 4467 I CA -0.074 61.237 61.300 0.017 0.000 1.267 4467 I CB 0.687 38.693 38.000 0.009 0.000 1.386 4467 I HN 0.522 nan 8.210 nan 0.000 0.476 4468 R N 3.993 124.508 120.500 0.024 0.000 2.873 4468 R HA 0.944 5.284 4.340 0.000 0.000 0.264 4468 R C -0.233 176.079 176.300 0.019 0.000 1.026 4468 R CA -1.154 54.961 56.100 0.024 0.000 1.002 4468 R CB 1.798 32.115 30.300 0.028 0.000 1.174 4468 R HN 0.821 nan 8.270 nan 0.000 0.488 4469 G N -0.871 107.940 108.800 0.017 0.000 2.340 4469 G HA2 0.062 4.022 3.960 0.000 0.000 0.298 4469 G HA3 0.062 4.022 3.960 0.000 0.000 0.298 4469 G C -0.009 174.900 174.900 0.015 0.000 1.498 4469 G CA -0.560 44.550 45.100 0.017 0.000 0.847 4469 G HN 0.303 nan 8.290 nan 0.000 0.594 4470 T N 0.372 114.937 114.554 0.017 0.000 2.915 4470 T HA 0.200 4.550 4.350 0.000 0.000 0.269 4470 T C 0.865 175.574 174.700 0.015 0.000 1.071 4470 T CA 2.027 64.137 62.100 0.016 0.000 1.132 4470 T CB -0.162 68.717 68.868 0.019 0.000 0.878 4470 T HN 0.666 nan 8.240 nan 0.000 0.479 4471 T N -0.173 114.391 114.554 0.017 0.000 2.853 4471 T HA 0.279 4.630 4.350 0.000 0.000 0.311 4471 T C 0.604 175.296 174.700 -0.012 0.000 1.307 4471 T CA -0.746 61.359 62.100 0.009 0.000 1.019 4471 T CB 2.550 71.441 68.868 0.038 0.000 1.264 4471 T HN -0.081 nan 8.240 nan 0.000 0.497 4472 E N 0.797 120.953 120.200 -0.073 0.000 2.086 4472 E HA -0.256 4.094 4.350 0.000 0.000 0.200 4472 E C 1.544 178.062 176.600 -0.136 0.000 1.012 4472 E CA 2.052 58.366 56.400 -0.144 0.000 0.812 4472 E CB -0.126 29.419 29.700 -0.258 0.000 0.743 4472 E HN 0.626 nan 8.360 nan 0.000 0.453 4473 H N -0.935 118.138 119.070 0.004 0.000 2.495 4473 H HA 0.014 4.570 4.556 0.000 0.000 0.287 4473 H C 2.122 177.453 175.328 0.004 0.000 1.033 4473 H CA 1.212 57.261 56.048 0.003 0.000 1.307 4473 H CB -0.010 29.754 29.762 0.002 0.000 1.401 4473 H HN 0.120 nan 8.280 nan 0.000 0.555 4474 V N 2.035 122.014 119.914 0.109 0.000 2.283 4474 V HA -0.211 3.909 4.120 0.000 0.000 0.243 4474 V C 2.673 178.793 176.094 0.043 0.000 1.039 4474 V CA 1.746 64.084 62.300 0.064 0.000 1.016 4474 V CB -0.571 31.280 31.823 0.046 0.000 0.650 4474 V HN 0.408 nan 8.190 nan 0.000 0.449 4475 I N -1.018 119.568 120.570 0.026 0.000 2.614 4475 I HA -0.161 4.009 4.170 0.000 0.000 0.258 4475 I C 2.256 178.382 176.117 0.016 0.000 1.189 4475 I CA 1.904 63.213 61.300 0.015 0.000 1.462 4475 I CB -0.520 37.482 38.000 0.003 0.000 1.092 4475 I HN 0.427 nan 8.210 nan 0.000 0.442 4476 E N 1.863 122.078 120.200 0.025 0.000 2.047 4476 E HA -0.293 4.057 4.350 0.000 0.000 0.191 4476 E C 2.210 178.834 176.600 0.040 0.000 0.987 4476 E CA 1.387 57.808 56.400 0.035 0.000 0.799 4476 E CB -0.100 29.642 29.700 0.069 0.000 0.752 4476 E HN 0.681 nan 8.360 nan 0.000 0.449 4477 E N -0.174 120.055 120.200 0.049 0.000 2.106 4477 E HA -0.146 4.204 4.350 0.000 0.000 0.192 4477 E C 2.068 178.683 176.600 0.025 0.000 0.984 4477 E CA 1.088 57.510 56.400 0.036 0.000 0.806 4477 E CB 0.246 29.969 29.700 0.037 0.000 0.750 4477 E HN 0.168 nan 8.360 nan 0.000 0.458 4478 V N 1.038 120.967 119.914 0.024 0.000 2.379 4478 V HA -0.208 3.912 4.120 0.000 0.000 0.245 4478 V C 2.428 178.530 176.094 0.013 0.000 1.044 4478 V CA 1.630 63.941 62.300 0.018 0.000 1.036 4478 V CB -0.653 31.181 31.823 0.018 0.000 0.664 4478 V HN 0.408 nan 8.190 nan 0.000 0.453 4479 A N 0.550 123.377 122.820 0.011 0.000 1.908 4479 A HA -0.292 4.028 4.320 0.000 0.000 0.218 4479 A C 2.304 179.891 177.584 0.005 0.000 1.181 4479 A CA 2.374 54.414 52.037 0.005 0.000 0.627 4479 A CB -0.538 18.463 19.000 0.002 0.000 0.818 4479 A HN 0.482 nan 8.150 nan 0.000 0.445 4480 R N 0.082 120.588 120.500 0.010 0.000 2.075 4480 R HA 0.010 4.350 4.340 0.000 0.000 0.232 4480 R C 2.152 178.457 176.300 0.008 0.000 1.126 4480 R CA 1.921 58.026 56.100 0.009 0.000 0.963 4480 R CB -0.842 29.465 30.300 0.012 0.000 0.858 4480 R HN 0.378 nan 8.270 nan 0.000 0.435 4481 A N 0.200 123.027 122.820 0.011 0.000 1.877 4481 A HA -0.122 4.198 4.320 0.000 0.000 0.216 4481 A C 2.240 179.829 177.584 0.008 0.000 1.186 4481 A CA 1.983 54.026 52.037 0.011 0.000 0.620 4481 A CB -0.952 18.057 19.000 0.015 0.000 0.822 4481 A HN 0.333 nan 8.150 nan 0.000 0.443 4482 V N -2.325 117.593 119.914 0.007 0.000 2.871 4482 V HA -0.129 3.991 4.120 0.000 0.000 0.256 4482 V C 1.926 178.020 176.094 0.001 0.000 1.082 4482 V CA 2.057 64.360 62.300 0.004 0.000 1.105 4482 V CB -0.708 31.117 31.823 0.003 0.000 0.713 4482 V HN 0.542 nan 8.190 nan 0.000 0.473 4483 D N 1.527 121.927 120.400 0.000 0.000 2.123 4483 D HA -0.258 4.382 4.640 0.000 0.000 0.196 4483 D C 1.602 177.901 176.300 -0.001 0.000 0.992 4483 D CA 2.262 56.260 54.000 -0.002 0.000 0.833 4483 D CB -0.068 40.730 40.800 -0.002 0.000 0.954 4483 D HN 0.612 nan 8.370 nan 0.000 0.455 4484 D N -0.035 120.366 120.400 0.002 0.000 2.149 4484 D HA -0.016 4.624 4.640 0.000 0.000 0.201 4484 D C 2.013 178.314 176.300 0.003 0.000 0.972 4484 D CA 1.202 55.203 54.000 0.003 0.000 0.835 4484 D CB -0.239 40.564 40.800 0.005 0.000 0.966 4484 D HN 0.239 nan 8.370 nan 0.000 0.476 4485 A N 0.408 123.230 122.820 0.004 0.000 1.902 4485 A HA -0.144 4.176 4.320 0.000 0.000 0.217 4485 A C 2.335 179.919 177.584 0.001 0.000 1.181 4485 A CA 1.065 53.105 52.037 0.004 0.000 0.623 4485 A CB -0.790 18.213 19.000 0.004 0.000 0.818 4485 A HN 0.149 nan 8.150 nan 0.000 0.443 4486 V N -0.074 119.839 119.914 -0.001 0.000 2.343 4486 V HA -0.183 3.937 4.120 0.000 0.000 0.247 4486 V C 2.805 178.898 176.094 -0.003 0.000 1.051 4486 V CA 1.889 64.187 62.300 -0.004 0.000 1.036 4486 V CB -1.437 30.382 31.823 -0.007 0.000 0.654 4486 V HN 0.618 nan 8.190 nan 0.000 0.451 4487 G N 0.547 109.346 108.800 -0.002 0.000 2.446 4487 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 4487 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 4487 G C 1.694 176.594 174.900 0.000 0.000 1.168 4487 G CA 1.672 46.771 45.100 -0.001 0.000 0.771 4487 G HN 0.604 nan 8.290 nan 0.000 0.551 4488 V N -1.722 118.193 119.914 0.001 0.000 2.788 4488 V HA 0.068 4.189 4.120 0.000 0.000 0.251 4488 V C 2.566 178.662 176.094 0.002 0.000 1.068 4488 V CA 1.170 63.472 62.300 0.003 0.000 1.090 4488 V CB -0.182 31.644 31.823 0.005 0.000 0.710 4488 V HN 0.123 nan 8.190 nan 0.000 0.467 4489 V N 1.846 121.761 119.914 0.001 0.000 2.719 4489 V HA 0.077 4.197 4.120 0.000 0.000 0.252 4489 V C 2.783 178.877 176.094 -0.000 0.000 1.065 4489 V CA 1.857 64.157 62.300 0.001 0.000 1.086 4489 V CB -0.819 31.004 31.823 -0.001 0.000 0.700 4489 V HN 0.616 nan 8.190 nan 0.000 0.467 4490 G N -1.235 107.564 108.800 -0.001 0.000 2.421 4490 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 4490 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 4490 G C 1.682 176.582 174.900 0.000 0.000 1.143 4490 G CA 1.156 46.255 45.100 -0.001 0.000 0.784 4490 G HN 0.527 nan 8.290 nan 0.000 0.541 4491 C N 0.620 119.921 119.300 0.001 0.000 2.429 4491 C HA -0.014 4.447 4.460 0.000 0.000 0.277 4491 C C 3.184 178.175 174.990 0.002 0.000 1.262 4491 C CA 1.514 60.533 59.018 0.002 0.000 1.733 4491 C CB -0.922 26.819 27.740 0.002 0.000 2.010 4491 C HN 0.414 nan 8.230 nan 0.000 0.483 4492 T N 1.032 115.588 114.554 0.003 0.000 2.915 4492 T HA -0.005 4.345 4.350 0.000 0.000 0.269 4492 T C 1.575 176.276 174.700 0.003 0.000 1.071 4492 T CA 1.061 63.163 62.100 0.003 0.000 1.132 4492 T CB -0.192 68.678 68.868 0.003 0.000 0.878 4492 T HN 0.504 nan 8.240 nan 0.000 0.479 4493 I N 0.527 121.099 120.570 0.003 0.000 2.333 4493 I HA -0.040 4.130 4.170 0.000 0.000 0.246 4493 I C 2.549 178.668 176.117 0.003 0.000 1.106 4493 I CA 1.117 62.419 61.300 0.003 0.000 1.411 4493 I CB -0.162 37.839 38.000 0.003 0.000 1.082 4493 I HN 0.244 nan 8.210 nan 0.000 0.420 4494 E N -0.081 120.120 120.200 0.003 0.000 2.072 4494 E HA -0.141 4.209 4.350 0.000 0.000 0.190 4494 E C 0.508 177.110 176.600 0.003 0.000 0.982 4494 E CA 0.719 57.120 56.400 0.003 0.000 0.803 4494 E CB 0.245 29.947 29.700 0.003 0.000 0.755 4494 E HN 0.191 nan 8.360 nan 0.000 0.453 4495 D N -0.583 119.819 120.400 0.003 0.000 2.454 4495 D HA 0.126 4.766 4.640 0.000 0.000 0.247 4495 D C -0.076 176.226 176.300 0.003 0.000 1.129 4495 D CA -0.301 53.700 54.000 0.003 0.000 0.877 4495 D CB 1.347 42.148 40.800 0.003 0.000 1.082 4495 D HN 0.088 nan 8.370 nan 0.000 0.537 4496 G N 3.209 112.011 108.800 0.003 0.000 3.332 4496 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 4496 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 4496 G C 0.476 175.378 174.900 0.004 0.000 1.276 4496 G CA -0.179 44.923 45.100 0.003 0.000 0.988 4496 G HN 0.204 nan 8.290 nan 0.000 0.517 4497 R N -0.342 120.160 120.500 0.004 0.000 2.562 4497 R HA 0.658 4.998 4.340 0.000 0.000 0.298 4497 R C -0.319 175.985 176.300 0.005 0.000 0.961 4497 R CA -0.639 55.464 56.100 0.005 0.000 0.881 4497 R CB 1.659 31.961 30.300 0.004 0.000 1.159 4497 R HN 0.294 nan 8.270 nan 0.000 0.450 4498 I N -0.917 119.657 120.570 0.007 0.000 3.145 4498 I HA 0.859 5.029 4.170 0.000 0.000 0.313 4498 I C -0.668 175.456 176.117 0.010 0.000 1.122 4498 I CA -1.254 60.050 61.300 0.008 0.000 0.987 4498 I CB 2.249 40.254 38.000 0.008 0.000 1.236 4498 I HN 0.336 nan 8.210 nan 0.000 0.453 4499 V N -0.257 119.665 119.914 0.013 0.000 3.049 4499 V HA 0.826 4.946 4.120 0.000 0.000 0.309 4499 V C 0.018 176.125 176.094 0.021 0.000 1.148 4499 V CA -0.380 61.930 62.300 0.017 0.000 0.990 4499 V CB 1.022 32.856 31.823 0.018 0.000 1.039 4499 V HN 1.178 nan 8.190 nan 0.000 0.430 4500 S N 1.949 117.666 115.700 0.028 0.000 2.576 4500 S HA 0.705 5.175 4.470 0.000 0.000 0.276 4500 S C 0.573 175.192 174.600 0.031 0.000 1.339 4500 S CA 0.178 58.397 58.200 0.032 0.000 1.039 4500 S CB 1.014 64.238 63.200 0.041 0.000 0.902 4500 S HN 1.826 nan 8.310 nan 0.000 0.516 4501 G N 0.146 108.964 108.800 0.031 0.000 2.630 4501 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 4501 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 4501 G C 0.925 175.842 174.900 0.028 0.000 1.434 4501 G CA -0.512 44.604 45.100 0.027 0.000 1.057 4501 G HN 2.055 nan 8.290 nan 0.000 0.570 4502 G N -2.047 106.768 108.800 0.025 0.000 2.153 4502 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 4502 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 4502 G C 1.525 176.423 174.900 -0.003 0.000 0.994 4502 G CA 1.157 46.269 45.100 0.020 0.000 0.698 4502 G HN 2.470 nan 8.290 nan 0.000 0.521 4503 G N -1.158 107.632 108.800 -0.017 0.000 2.168 4503 G HA2 -0.143 3.817 3.960 0.000 0.000 0.263 4503 G HA3 -0.143 3.817 3.960 0.000 0.000 0.263 4503 G C 1.500 176.357 174.900 -0.073 0.000 0.977 4503 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 4503 G HN 1.982 nan 8.290 nan 0.000 0.533 4504 S N 0.087 115.763 115.700 -0.040 0.000 2.382 4504 S HA -0.160 4.311 4.470 0.000 0.000 0.228 4504 S C 2.799 177.336 174.600 -0.105 0.000 1.027 4504 S CA 2.657 60.821 58.200 -0.059 0.000 0.991 4504 S CB -0.593 62.679 63.200 0.120 0.000 0.823 4504 S HN 1.378 nan 8.310 nan 0.000 0.469 4505 T N 0.137 114.675 114.554 -0.027 0.000 2.569 4505 T HA -0.125 4.225 4.350 0.000 0.000 0.263 4505 T C 1.569 176.230 174.700 -0.066 0.000 1.074 4505 T CA 1.679 63.770 62.100 -0.014 0.000 1.176 4505 T CB -1.072 67.794 68.868 -0.004 0.000 0.863 4505 T HN 0.376 nan 8.240 nan 0.000 0.410 4506 E N 0.859 121.011 120.200 -0.080 0.000 2.219 4506 E HA -0.052 4.298 4.350 0.000 0.000 0.198 4506 E C 2.215 178.738 176.600 -0.128 0.000 0.998 4506 E CA 0.740 57.084 56.400 -0.092 0.000 0.818 4506 E CB -0.727 28.915 29.700 -0.096 0.000 0.741 4506 E HN 0.457 nan 8.360 nan 0.000 0.477 4507 V N 0.378 120.162 119.914 -0.216 0.000 2.453 4507 V HA -0.218 3.902 4.120 0.000 0.000 0.247 4507 V C 2.258 178.181 176.094 -0.286 0.000 1.048 4507 V CA 1.823 63.938 62.300 -0.309 0.000 1.049 4507 V CB -0.364 31.145 31.823 -0.524 0.000 0.672 4507 V HN 0.223 nan 8.190 nan 0.000 0.457 4508 E N 0.518 120.556 120.200 -0.270 0.000 2.051 4508 E HA -0.204 4.146 4.350 0.000 0.000 0.192 4508 E C 1.881 178.501 176.600 0.032 0.000 0.991 4508 E CA 1.446 57.882 56.400 0.059 0.000 0.799 4508 E CB -0.324 29.496 29.700 0.201 0.000 0.748 4508 E HN 0.368 nan 8.360 nan 0.000 0.449 4509 L N 0.357 121.578 121.223 -0.003 0.000 2.093 4509 L HA -0.052 4.288 4.340 0.000 0.000 0.208 4509 L C 2.410 179.294 176.870 0.022 0.000 1.085 4509 L CA 1.515 56.363 54.840 0.013 0.000 0.755 4509 L CB -0.879 41.186 42.059 0.010 0.000 0.904 4509 L HN 0.062 nan 8.230 nan 0.000 0.435 4510 S N -1.097 114.598 115.700 -0.009 0.000 2.356 4510 S HA -0.169 4.301 4.470 0.000 0.000 0.223 4510 S C 1.983 176.601 174.600 0.029 0.000 1.032 4510 S CA 1.227 59.428 58.200 0.001 0.000 1.005 4510 S CB -0.183 62.995 63.200 -0.037 0.000 0.867 4510 S HN 0.292 nan 8.310 nan 0.000 0.449 4511 M N 0.992 120.608 119.600 0.027 0.000 2.099 4511 M HA 0.007 4.487 4.480 0.000 0.000 0.262 4511 M C 1.997 178.335 176.300 0.064 0.000 1.067 4511 M CA 1.503 56.832 55.300 0.048 0.000 1.124 4511 M CB -1.166 31.472 32.600 0.064 0.000 1.353 4511 M HN 0.054 nan 8.290 nan 0.000 0.410 4512 K N 0.391 120.830 120.400 0.064 0.000 2.155 4512 K HA 0.073 4.393 4.320 0.000 0.000 0.203 4512 K C 1.960 178.621 176.600 0.101 0.000 1.052 4512 K CA 0.749 57.079 56.287 0.071 0.000 0.948 4512 K CB -0.427 32.102 32.500 0.048 0.000 0.728 4512 K HN 0.268 nan 8.250 nan 0.000 0.448 4513 L N -0.138 121.143 121.223 0.098 0.000 2.240 4513 L HA -0.057 4.283 4.340 0.000 0.000 0.211 4513 L C 2.113 179.094 176.870 0.185 0.000 1.106 4513 L CA 0.849 55.781 54.840 0.153 0.000 0.793 4513 L CB -0.171 41.978 42.059 0.150 0.000 0.927 4513 L HN 0.113 nan 8.230 nan 0.000 0.446 4514 R N 0.141 120.716 120.500 0.125 0.000 2.092 4514 R HA -0.148 4.192 4.340 0.000 0.000 0.231 4514 R C 2.045 178.401 176.300 0.093 0.000 1.119 4514 R CA 1.239 57.399 56.100 0.099 0.000 0.970 4514 R CB -0.171 30.170 30.300 0.068 0.000 0.864 4514 R HN 0.449 nan 8.270 nan 0.000 0.440 4515 E N -0.370 119.891 120.200 0.102 0.000 2.107 4515 E HA -0.200 4.150 4.350 0.000 0.000 0.191 4515 E C 1.580 178.248 176.600 0.113 0.000 0.982 4515 E CA 0.858 57.312 56.400 0.091 0.000 0.809 4515 E CB -0.099 29.652 29.700 0.086 0.000 0.756 4515 E HN 0.298 nan 8.360 nan 0.000 0.459 4516 Y N 1.382 121.695 120.300 0.021 0.000 2.181 4516 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 4516 Y C 2.211 178.119 175.900 0.014 0.000 1.146 4516 Y CA 1.304 59.413 58.100 0.014 0.000 1.164 4516 Y CB -0.396 38.070 38.460 0.010 0.000 0.982 4516 Y HN -0.010 nan 8.280 nan 0.000 0.515 4517 A N -0.139 122.703 122.820 0.037 0.000 1.933 4517 A HA -0.225 4.095 4.320 0.000 0.000 0.218 4517 A C 2.103 179.647 177.584 -0.066 0.000 1.175 4517 A CA 1.886 53.908 52.037 -0.026 0.000 0.628 4517 A CB -0.790 18.246 19.000 0.061 0.000 0.814 4517 A HN 0.502 nan 8.150 nan 0.000 0.444 4518 E N -0.050 120.130 120.200 -0.033 0.000 2.110 4518 E HA -0.076 4.275 4.350 0.000 0.000 0.193 4518 E C 1.932 178.491 176.600 -0.068 0.000 0.988 4518 E CA 1.496 57.877 56.400 -0.032 0.000 0.804 4518 E CB -0.655 29.042 29.700 -0.005 0.000 0.745 4518 E HN 0.444 nan 8.360 nan 0.000 0.458 4519 G N 0.322 109.054 108.800 -0.113 0.000 2.421 4519 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 4519 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 4519 G C 1.432 176.220 174.900 -0.187 0.000 1.143 4519 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 4519 G HN 0.201 nan 8.290 nan 0.000 0.541 4520 I N 0.367 120.779 120.570 -0.264 0.000 2.193 4520 I HA 0.005 4.175 4.170 0.000 0.000 0.240 4520 I C 1.704 177.749 176.117 -0.121 0.000 1.084 4520 I CA 1.084 62.244 61.300 -0.234 0.000 1.365 4520 I CB -1.090 36.745 38.000 -0.275 0.000 1.064 4520 I HN 0.298 nan 8.210 nan 0.000 0.410 4521 S N -1.235 114.411 115.700 -0.090 0.000 3.443 4521 S HA -0.117 4.353 4.470 0.000 0.000 0.635 4521 S C 0.766 175.344 174.600 -0.037 0.000 2.555 4521 S CA 1.446 59.615 58.200 -0.051 0.000 2.778 4521 S CB -1.357 61.815 63.200 -0.046 0.000 0.331 4521 S HN 1.427 nan 8.310 nan 0.000 1.765 4522 G N 1.142 109.927 108.800 -0.025 0.000 2.566 4522 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 4522 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 4522 G C 0.350 175.245 174.900 -0.007 0.000 1.225 4522 G CA 1.673 46.763 45.100 -0.017 0.000 0.966 4522 G HN 1.869 nan 8.290 nan 0.000 0.560 4523 R N 0.421 120.919 120.500 -0.003 0.000 2.223 4523 R HA 0.322 4.662 4.340 0.000 0.000 0.198 4523 R C 2.044 178.352 176.300 0.013 0.000 0.984 4523 R CA 1.361 57.465 56.100 0.008 0.000 1.018 4523 R CB -0.209 30.099 30.300 0.012 0.000 0.945 4523 R HN 0.640 nan 8.270 nan 0.000 0.479 4524 E N 2.086 122.288 120.200 0.003 0.000 2.204 4524 E HA -0.258 4.093 4.350 0.000 0.000 0.195 4524 E C 1.985 178.598 176.600 0.021 0.000 0.990 4524 E CA 1.616 58.021 56.400 0.008 0.000 0.821 4524 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 4524 E HN 0.653 nan 8.360 nan 0.000 0.477 4525 Q N 0.842 120.646 119.800 0.007 0.000 2.124 4525 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 4525 Q C 2.247 178.280 176.000 0.056 0.000 0.977 4525 Q CA 1.094 56.905 55.803 0.013 0.000 0.850 4525 Q CB -0.320 28.415 28.738 -0.006 0.000 0.901 4525 Q HN 0.224 nan 8.270 nan 0.000 0.429 4526 L N 1.208 122.465 121.223 0.056 0.000 2.083 4526 L HA -0.051 4.289 4.340 0.000 0.000 0.209 4526 L C 2.428 179.375 176.870 0.129 0.000 1.083 4526 L CA 2.026 56.911 54.840 0.076 0.000 0.752 4526 L CB -0.858 41.235 42.059 0.056 0.000 0.899 4526 L HN 0.338 nan 8.230 nan 0.000 0.433 4527 A N -1.349 121.556 122.820 0.141 0.000 1.902 4527 A HA -0.133 4.187 4.320 0.000 0.000 0.217 4527 A C 2.228 180.039 177.584 0.378 0.000 1.181 4527 A CA 1.925 54.115 52.037 0.256 0.000 0.623 4527 A CB -0.973 18.112 19.000 0.141 0.000 0.818 4527 A HN 0.289 nan 8.150 nan 0.000 0.443 4528 V N -0.123 119.934 119.914 0.238 0.000 2.453 4528 V HA -0.213 3.907 4.120 0.000 0.000 0.247 4528 V C 2.582 178.811 176.094 0.224 0.000 1.048 4528 V CA 1.998 64.434 62.300 0.227 0.000 1.049 4528 V CB -0.812 31.119 31.823 0.180 0.000 0.672 4528 V HN 0.508 nan 8.190 nan 0.000 0.457 4529 R N 0.386 120.987 120.500 0.168 0.000 2.081 4529 R HA -0.088 4.252 4.340 0.000 0.000 0.235 4529 R C 2.444 178.821 176.300 0.128 0.000 1.131 4529 R CA 1.493 57.670 56.100 0.128 0.000 0.960 4529 R CB -0.567 29.787 30.300 0.089 0.000 0.856 4529 R HN 0.520 nan 8.270 nan 0.000 0.436 4530 A N 0.565 123.482 122.820 0.163 0.000 1.930 4530 A HA -0.161 4.159 4.320 0.000 0.000 0.217 4530 A C 1.942 179.579 177.584 0.088 0.000 1.175 4530 A CA 0.889 53.013 52.037 0.144 0.000 0.627 4530 A CB -0.557 18.572 19.000 0.216 0.000 0.815 4530 A HN 0.341 nan 8.150 nan 0.000 0.443 4531 F N 0.916 120.836 119.950 -0.051 0.000 2.102 4531 F HA -0.087 4.440 4.527 0.000 0.000 0.298 4531 F C 2.537 178.253 175.800 -0.141 0.000 1.105 4531 F CA 1.334 59.176 58.000 -0.264 0.000 1.239 4531 F CB -0.264 38.550 39.000 -0.310 0.000 0.991 4531 F HN 0.255 nan 8.300 nan 0.000 0.474 4532 A N -0.157 122.756 122.820 0.155 0.000 1.877 4532 A HA -0.198 4.122 4.320 0.000 0.000 0.216 4532 A C 1.933 179.499 177.584 -0.031 0.000 1.186 4532 A CA 2.028 54.112 52.037 0.077 0.000 0.620 4532 A CB -0.982 18.087 19.000 0.116 0.000 0.822 4532 A HN 0.419 nan 8.150 nan 0.000 0.443 4533 D N -0.110 120.277 120.400 -0.021 0.000 2.178 4533 D HA 0.024 4.664 4.640 0.000 0.000 0.202 4533 D C 2.156 178.403 176.300 -0.089 0.000 0.974 4533 D CA 1.265 55.242 54.000 -0.039 0.000 0.841 4533 D CB -0.330 40.466 40.800 -0.008 0.000 0.953 4533 D HN 0.418 nan 8.370 nan 0.000 0.478 4534 A N 0.428 123.159 122.820 -0.148 0.000 1.972 4534 A HA -0.126 4.194 4.320 0.000 0.000 0.219 4534 A C 1.995 179.441 177.584 -0.230 0.000 1.169 4534 A CA 0.773 52.688 52.037 -0.204 0.000 0.635 4534 A CB -0.500 18.315 19.000 -0.308 0.000 0.810 4534 A HN 0.152 nan 8.150 nan 0.000 0.446 4535 L N 0.366 121.430 121.223 -0.265 0.000 2.353 4535 L HA -0.110 4.230 4.340 0.000 0.000 0.220 4535 L C 2.002 178.786 176.870 -0.143 0.000 1.133 4535 L CA 1.339 56.046 54.840 -0.222 0.000 0.798 4535 L CB -0.583 41.354 42.059 -0.204 0.000 0.922 4535 L HN 0.394 nan 8.230 nan 0.000 0.445 4536 E N -1.013 119.116 120.200 -0.117 0.000 2.409 4536 E HA -0.136 4.214 4.350 0.000 0.000 0.198 4536 E C 2.337 178.888 176.600 -0.081 0.000 1.024 4536 E CA 0.665 57.012 56.400 -0.088 0.000 0.861 4536 E CB -0.402 29.257 29.700 -0.068 0.000 0.788 4536 E HN 0.352 nan 8.360 nan 0.000 0.521 4537 V N 1.284 121.143 119.914 -0.092 0.000 2.568 4537 V HA -0.231 3.889 4.120 0.000 0.000 0.253 4537 V C 1.889 177.941 176.094 -0.070 0.000 1.072 4537 V CA 1.023 63.276 62.300 -0.077 0.000 1.084 4537 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 4537 V HN 0.127 nan 8.190 nan 0.000 0.469 4538 I N 1.363 121.887 120.570 -0.077 0.000 2.133 4538 I HA -0.051 4.119 4.170 0.000 0.000 0.238 4538 I C 0.227 176.309 176.117 -0.058 0.000 1.074 4538 I CA 1.787 63.047 61.300 -0.067 0.000 1.342 4538 I CB -2.910 35.048 38.000 -0.070 0.000 1.053 4538 I HN 0.348 nan 8.210 nan 0.000 0.404 4539 P HA -0.145 nan 4.420 nan 0.000 0.221 4539 P C 1.750 179.022 177.300 -0.047 0.000 1.150 4539 P CA 1.388 64.457 63.100 -0.051 0.000 0.800 4539 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 4540 R N -0.053 120.418 120.500 -0.049 0.000 2.066 4540 R HA -0.050 4.290 4.340 0.000 0.000 0.232 4540 R C 1.978 178.252 176.300 -0.043 0.000 1.131 4540 R CA 1.916 57.990 56.100 -0.043 0.000 0.955 4540 R CB -0.691 29.584 30.300 -0.043 0.000 0.851 4540 R HN 0.052 nan 8.270 nan 0.000 0.432 4541 T N 1.329 115.855 114.554 -0.047 0.000 2.942 4541 T HA 0.016 4.366 4.350 0.000 0.000 0.265 4541 T C 1.774 176.444 174.700 -0.050 0.000 1.062 4541 T CA 0.761 62.833 62.100 -0.046 0.000 1.139 4541 T CB -0.015 68.825 68.868 -0.046 0.000 0.883 4541 T HN 0.142 nan 8.240 nan 0.000 0.468 4542 L N 0.919 122.110 121.223 -0.054 0.000 2.042 4542 L HA -0.136 4.204 4.340 0.000 0.000 0.210 4542 L C 3.003 179.833 176.870 -0.067 0.000 1.076 4542 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 4542 L CB -0.614 41.408 42.059 -0.060 0.000 0.893 4542 L HN 0.250 nan 8.230 nan 0.000 0.432 4543 A N -0.509 122.278 122.820 -0.055 0.000 1.929 4543 A HA -0.185 4.136 4.320 0.000 0.000 0.216 4543 A C 2.169 179.724 177.584 -0.049 0.000 1.176 4543 A CA 1.335 53.342 52.037 -0.051 0.000 0.628 4543 A CB -0.359 18.617 19.000 -0.040 0.000 0.816 4543 A HN 0.415 nan 8.150 nan 0.000 0.444 4544 E N 0.036 120.209 120.200 -0.044 0.000 2.058 4544 E HA -0.194 4.156 4.350 0.000 0.000 0.194 4544 E C 1.644 178.217 176.600 -0.044 0.000 0.997 4544 E CA 1.298 57.674 56.400 -0.040 0.000 0.801 4544 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 4544 E HN 0.530 nan 8.360 nan 0.000 0.450 4545 N N 0.285 118.953 118.700 -0.052 0.000 2.309 4545 N HA -0.084 4.656 4.740 0.000 0.000 0.182 4545 N C 1.450 176.917 175.510 -0.071 0.000 1.018 4545 N CA 1.058 54.074 53.050 -0.058 0.000 0.876 4545 N CB -0.133 38.317 38.487 -0.062 0.000 0.972 4545 N HN 0.109 nan 8.380 nan 0.000 0.434 4546 A N -0.022 122.749 122.820 -0.082 0.000 2.067 4546 A HA 0.320 4.640 4.320 0.000 0.000 0.217 4546 A C 1.463 179.007 177.584 -0.066 0.000 1.156 4546 A CA 1.059 53.039 52.037 -0.096 0.000 0.683 4546 A CB -0.412 18.520 19.000 -0.114 0.000 0.808 4546 A HN 0.310 nan 8.150 nan 0.000 0.455 4547 G N -1.147 107.622 108.800 -0.051 0.000 2.171 4547 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 4547 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 4547 G C -0.061 174.821 174.900 -0.031 0.000 1.039 4547 G CA 0.317 45.395 45.100 -0.037 0.000 0.759 4547 G HN 0.446 nan 8.290 nan 0.000 0.501 4548 L N -0.091 121.111 121.223 -0.034 0.000 2.375 4548 L HA 0.484 4.824 4.340 0.000 0.000 0.268 4548 L C 0.478 177.334 176.870 -0.023 0.000 1.058 4548 L CA -1.075 53.749 54.840 -0.027 0.000 0.803 4548 L CB 0.932 42.972 42.059 -0.031 0.000 1.212 4548 L HN 0.113 nan 8.230 nan 0.000 0.451 4549 D N 1.054 121.444 120.400 -0.017 0.000 2.342 4549 D HA 0.118 4.758 4.640 0.000 0.000 0.260 4549 D C 0.739 177.029 176.300 -0.016 0.000 1.278 4549 D CA 0.117 54.109 54.000 -0.014 0.000 0.910 4549 D CB 1.733 42.528 40.800 -0.010 0.000 1.079 4549 D HN 0.632 nan 8.370 nan 0.000 0.496 4550 A N 5.462 128.271 122.820 -0.018 0.000 1.908 4550 A HA -0.196 4.125 4.320 0.000 0.000 0.218 4550 A C 2.159 179.733 177.584 -0.016 0.000 1.181 4550 A CA 0.863 52.888 52.037 -0.020 0.000 0.627 4550 A CB -0.270 18.717 19.000 -0.022 0.000 0.818 4550 A HN 0.705 nan 8.150 nan 0.000 0.445 4551 I N -0.162 120.401 120.570 -0.013 0.000 2.179 4551 I HA -0.213 3.957 4.170 0.000 0.000 0.242 4551 I C 2.452 178.565 176.117 -0.007 0.000 1.088 4551 I CA 1.870 63.165 61.300 -0.010 0.000 1.357 4551 I CB -1.462 36.534 38.000 -0.007 0.000 1.051 4551 I HN 0.601 nan 8.210 nan 0.000 0.409 4552 E N 1.483 121.680 120.200 -0.006 0.000 2.051 4552 E HA -0.228 4.122 4.350 0.000 0.000 0.192 4552 E C 2.342 178.941 176.600 -0.002 0.000 0.991 4552 E CA 1.794 58.192 56.400 -0.003 0.000 0.799 4552 E CB -0.109 29.589 29.700 -0.003 0.000 0.748 4552 E HN 0.610 nan 8.360 nan 0.000 0.449 4553 I N -1.416 119.151 120.570 -0.005 0.000 2.439 4553 I HA -0.163 4.007 4.170 0.000 0.000 0.251 4553 I C 2.226 178.339 176.117 -0.006 0.000 1.139 4553 I CA 0.873 62.170 61.300 -0.005 0.000 1.438 4553 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 4553 I HN 0.073 nan 8.210 nan 0.000 0.427 4554 L N 0.779 121.996 121.223 -0.010 0.000 2.093 4554 L HA -0.110 4.230 4.340 0.000 0.000 0.208 4554 L C 2.681 179.548 176.870 -0.005 0.000 1.085 4554 L CA 0.810 55.642 54.840 -0.013 0.000 0.755 4554 L CB -0.404 41.645 42.059 -0.017 0.000 0.904 4554 L HN 0.168 nan 8.230 nan 0.000 0.435 4555 V N -0.267 119.647 119.914 -0.001 0.000 2.323 4555 V HA -0.231 3.889 4.120 0.000 0.000 0.244 4555 V C 2.377 178.478 176.094 0.012 0.000 1.041 4555 V CA 1.650 63.953 62.300 0.005 0.000 1.025 4555 V CB -0.382 31.444 31.823 0.005 0.000 0.656 4555 V HN 0.384 nan 8.190 nan 0.000 0.451 4556 K N -0.368 120.039 120.400 0.011 0.000 2.103 4556 K HA -0.047 4.273 4.320 0.000 0.000 0.204 4556 K C 2.046 178.662 176.600 0.027 0.000 1.052 4556 K CA 1.007 57.304 56.287 0.017 0.000 0.945 4556 K CB -0.188 32.320 32.500 0.013 0.000 0.722 4556 K HN 0.292 nan 8.250 nan 0.000 0.443 4557 V N 1.187 121.115 119.914 0.023 0.000 2.323 4557 V HA -0.176 3.944 4.120 0.000 0.000 0.244 4557 V C 2.357 178.485 176.094 0.057 0.000 1.041 4557 V CA 1.463 63.784 62.300 0.035 0.000 1.025 4557 V CB -0.395 31.436 31.823 0.012 0.000 0.656 4557 V HN 0.270 nan 8.190 nan 0.000 0.451 4558 R N 0.091 120.609 120.500 0.030 0.000 2.081 4558 R HA -0.165 4.175 4.340 0.000 0.000 0.235 4558 R C 2.292 178.640 176.300 0.080 0.000 1.131 4558 R CA 1.722 57.844 56.100 0.037 0.000 0.960 4558 R CB -0.412 29.894 30.300 0.009 0.000 0.856 4558 R HN 0.500 nan 8.270 nan 0.000 0.436 4559 A N 0.492 123.345 122.820 0.055 0.000 1.873 4559 A HA -0.050 4.270 4.320 0.000 0.000 0.215 4559 A C 2.316 179.932 177.584 0.054 0.000 1.186 4559 A CA 1.538 53.604 52.037 0.049 0.000 0.616 4559 A CB -0.753 18.265 19.000 0.031 0.000 0.823 4559 A HN 0.506 nan 8.150 nan 0.000 0.442 4560 A N -0.986 121.868 122.820 0.056 0.000 1.933 4560 A HA -0.148 4.172 4.320 0.000 0.000 0.218 4560 A C 1.984 179.599 177.584 0.053 0.000 1.175 4560 A CA 2.070 54.135 52.037 0.046 0.000 0.628 4560 A CB -0.847 18.178 19.000 0.042 0.000 0.814 4560 A HN 0.806 nan 8.150 nan 0.000 0.444 4561 H N -0.113 118.960 119.070 0.005 0.000 2.293 4561 H HA 0.049 4.605 4.556 0.000 0.000 0.300 4561 H C 2.180 177.511 175.328 0.005 0.000 1.082 4561 H CA 2.061 58.112 56.048 0.005 0.000 1.308 4561 H CB -0.246 29.519 29.762 0.004 0.000 1.375 4561 H HN 0.367 nan 8.280 nan 0.000 0.495 4562 A N -0.540 122.336 122.820 0.094 0.000 1.940 4562 A HA -0.187 4.133 4.320 0.000 0.000 0.219 4562 A C 2.582 180.147 177.584 -0.032 0.000 1.176 4562 A CA 2.009 54.073 52.037 0.045 0.000 0.631 4562 A CB -1.066 17.987 19.000 0.088 0.000 0.814 4562 A HN 0.529 nan 8.150 nan 0.000 0.446 4563 S N -0.492 115.194 115.700 -0.024 0.000 2.341 4563 S HA -0.087 4.383 4.470 0.000 0.000 0.216 4563 S C 1.859 176.429 174.600 -0.051 0.000 1.034 4563 S CA 1.063 59.247 58.200 -0.027 0.000 0.964 4563 S CB -0.406 62.790 63.200 -0.008 0.000 0.882 4563 S HN 0.598 nan 8.310 nan 0.000 0.469 4564 N N 1.160 119.825 118.700 -0.058 0.000 2.396 4564 N HA 0.215 4.955 4.740 0.000 0.000 0.180 4564 N C 1.074 176.522 175.510 -0.103 0.000 1.028 4564 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 4564 N CB -0.073 38.391 38.487 -0.038 0.000 0.967 4564 N HN 0.623 nan 8.380 nan 0.000 0.440 4565 G N 0.361 109.041 108.800 -0.200 0.000 2.396 4565 G HA2 -0.227 3.734 3.960 0.000 0.000 0.254 4565 G HA3 -0.227 3.734 3.960 0.000 0.000 0.254 4565 G C 0.014 174.670 174.900 -0.406 0.000 1.248 4565 G CA 0.041 44.981 45.100 -0.268 0.000 1.033 4565 G HN 0.253 nan 8.290 nan 0.000 0.502 4566 N N -0.479 118.081 118.700 -0.234 0.000 2.414 4566 N HA 0.028 4.768 4.740 0.000 0.000 0.177 4566 N C 1.503 177.018 175.510 0.008 0.000 1.062 4566 N CA 0.755 53.769 53.050 -0.060 0.000 0.890 4566 N CB 0.036 38.554 38.487 0.052 0.000 1.070 4566 N HN 0.296 nan 8.380 nan 0.000 0.454 4567 K N 0.004 120.392 120.400 -0.019 0.000 2.404 4567 K HA 0.156 4.476 4.320 0.000 0.000 0.194 4567 K C -0.249 176.348 176.600 -0.005 0.000 1.023 4567 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 4567 K CB 0.034 32.529 32.500 -0.007 0.000 0.841 4567 K HN 0.093 nan 8.250 nan 0.000 0.523 4568 C N 0.158 119.449 119.300 -0.015 0.000 3.517 4568 C HA 0.820 5.280 4.460 0.000 0.000 0.202 4568 C C -0.264 174.726 174.990 0.000 0.000 1.370 4568 C CA -0.167 58.845 59.018 -0.009 0.000 1.308 4568 C CB -1.398 26.328 27.740 -0.024 0.000 1.840 4568 C HN 0.450 nan 8.230 nan 0.000 0.525 4569 A N 1.296 124.138 122.820 0.037 0.000 5.650 4569 A HA 0.954 5.275 4.320 0.000 0.000 0.194 4569 A C 0.427 178.059 177.584 0.080 0.000 0.895 4569 A CA 0.473 52.554 52.037 0.075 0.000 0.804 4569 A CB -0.380 18.711 19.000 0.151 0.000 2.103 4569 A HN 2.342 nan 8.150 nan 0.000 1.022 4570 G N -1.866 106.997 108.800 0.104 0.000 2.846 4570 G HA2 0.341 4.302 3.960 0.000 0.000 0.660 4570 G HA3 0.341 4.302 3.960 0.000 0.000 0.660 4570 G C -0.624 174.303 174.900 0.045 0.000 1.464 4570 G CA 0.044 45.182 45.100 0.064 0.000 0.891 4570 G HN 2.105 nan 8.290 nan 0.000 0.552 4571 L N 0.917 122.157 121.223 0.029 0.000 2.289 4571 L HA 0.620 4.960 4.340 0.000 0.000 0.285 4571 L C 0.521 177.413 176.870 0.037 0.000 1.049 4571 L CA -0.771 54.083 54.840 0.023 0.000 0.804 4571 L CB 1.403 43.462 42.059 0.001 0.000 1.195 4571 L HN 0.731 nan 8.230 nan 0.000 0.428 4572 N N 4.067 122.797 118.700 0.051 0.000 2.485 4572 N HA 0.125 4.865 4.740 0.000 0.000 0.243 4572 N C 0.906 176.451 175.510 0.059 0.000 0.987 4572 N CA -0.155 52.952 53.050 0.094 0.000 0.940 4572 N CB 1.403 39.960 38.487 0.117 0.000 1.122 4572 N HN 0.713 nan 8.380 nan 0.000 0.509 4573 V N 2.080 121.989 119.914 -0.010 0.000 2.970 4573 V HA -0.041 4.080 4.120 0.000 0.000 0.260 4573 V C 1.410 177.400 176.094 -0.173 0.000 1.100 4573 V CA 1.012 63.231 62.300 -0.135 0.000 1.122 4573 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 4573 V HN 0.475 nan 8.190 nan 0.000 0.483 4574 F N 2.472 122.421 119.950 -0.002 0.000 2.259 4574 F HA -0.021 4.506 4.527 0.000 0.000 0.298 4574 F C 2.659 178.458 175.800 -0.001 0.000 1.088 4574 F CA 1.779 59.778 58.000 -0.002 0.000 1.358 4574 F CB -0.333 38.666 39.000 -0.001 0.000 1.040 4574 F HN 0.377 nan 8.300 nan 0.000 0.505 4575 T N -4.106 110.550 114.554 0.170 0.000 3.001 4575 T HA 0.375 4.725 4.350 0.000 0.000 0.251 4575 T C 1.482 176.211 174.700 0.048 0.000 1.040 4575 T CA 0.414 62.569 62.100 0.092 0.000 0.985 4575 T CB 0.327 69.241 68.868 0.076 0.000 1.011 4575 T HN 0.343 nan 8.240 nan 0.000 0.509 4576 G N 1.100 109.920 108.800 0.033 0.000 2.248 4576 G HA2 0.273 4.233 3.960 0.000 0.000 0.263 4576 G HA3 0.273 4.233 3.960 0.000 0.000 0.263 4576 G C 0.060 174.966 174.900 0.010 0.000 1.082 4576 G CA -0.225 44.878 45.100 0.005 0.000 0.863 4576 G HN 1.424 nan 8.290 nan 0.000 0.495 4577 A N -1.662 121.170 122.820 0.020 0.000 2.608 4577 A HA 0.881 5.201 4.320 0.000 0.000 0.292 4577 A C 0.034 177.634 177.584 0.026 0.000 1.066 4577 A CA 0.129 52.178 52.037 0.019 0.000 0.676 4577 A CB 1.389 20.401 19.000 0.021 0.000 1.277 4577 A HN 1.802 nan 8.150 nan 0.000 0.413 4578 V N 1.668 121.596 119.914 0.023 0.000 2.673 4578 V HA 0.407 4.527 4.120 0.000 0.000 0.303 4578 V C 0.020 176.133 176.094 0.032 0.000 1.046 4578 V CA 1.024 63.342 62.300 0.029 0.000 1.126 4578 V CB 0.443 32.283 31.823 0.029 0.000 0.934 4578 V HN 0.914 nan 8.190 nan 0.000 0.487 4579 E N 3.827 124.050 120.200 0.038 0.000 2.359 4579 E HA 0.372 4.723 4.350 0.000 0.000 0.223 4579 E C -1.475 175.146 176.600 0.035 0.000 0.877 4579 E CA -0.654 55.767 56.400 0.035 0.000 0.887 4579 E CB 0.828 30.553 29.700 0.041 0.000 1.890 4579 E HN 0.707 nan 8.360 nan 0.000 0.419 4580 D N 1.235 121.653 120.400 0.029 0.000 2.472 4580 D HA 0.192 4.833 4.640 0.000 0.000 0.234 4580 D C 0.833 177.150 176.300 0.028 0.000 1.088 4580 D CA -0.274 53.742 54.000 0.025 0.000 0.882 4580 D CB 0.579 41.387 40.800 0.015 0.000 1.037 4580 D HN 0.186 nan 8.370 nan 0.000 0.520 4581 M N 1.745 121.367 119.600 0.037 0.000 2.117 4581 M HA -0.142 4.338 4.480 0.000 0.000 0.262 4581 M C 2.310 178.626 176.300 0.027 0.000 1.065 4581 M CA 0.820 56.143 55.300 0.039 0.000 1.114 4581 M CB -1.158 31.470 32.600 0.047 0.000 1.361 4581 M HN 0.549 nan 8.290 nan 0.000 0.408 4582 C N 0.601 119.915 119.300 0.023 0.000 2.432 4582 C HA -0.184 4.276 4.460 0.000 0.000 0.277 4582 C C 2.732 177.726 174.990 0.008 0.000 1.249 4582 C CA 1.620 60.647 59.018 0.015 0.000 1.725 4582 C CB -0.871 26.877 27.740 0.013 0.000 2.028 4582 C HN 0.600 nan 8.230 nan 0.000 0.477 4583 E N 1.121 121.325 120.200 0.007 0.000 2.110 4583 E HA -0.139 4.211 4.350 0.000 0.000 0.193 4583 E C 1.608 178.207 176.600 -0.002 0.000 0.988 4583 E CA 1.568 57.968 56.400 0.001 0.000 0.804 4583 E CB -0.420 29.281 29.700 0.002 0.000 0.745 4583 E HN 0.624 nan 8.360 nan 0.000 0.458 4584 N N -0.337 118.363 118.700 0.000 0.000 2.461 4584 N HA 0.055 4.795 4.740 0.000 0.000 0.188 4584 N C 0.624 176.124 175.510 -0.015 0.000 1.134 4584 N CA 0.944 53.988 53.050 -0.009 0.000 0.878 4584 N CB 0.555 39.041 38.487 -0.002 0.000 0.972 4584 N HN 0.319 nan 8.380 nan 0.000 0.456 4585 G N -0.083 108.713 108.800 -0.006 0.000 2.153 4585 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 4585 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 4585 G C -0.050 174.851 174.900 0.001 0.000 0.994 4585 G CA 0.183 45.280 45.100 -0.006 0.000 0.698 4585 G HN 0.207 nan 8.290 nan 0.000 0.521 4586 V N 1.466 121.388 119.914 0.013 0.000 2.222 4586 V HA 0.486 4.606 4.120 0.000 0.000 0.253 4586 V C 0.788 176.899 176.094 0.028 0.000 1.210 4586 V CA 0.121 62.438 62.300 0.030 0.000 1.079 4586 V CB 0.460 32.314 31.823 0.052 0.000 1.265 4586 V HN 1.046 nan 8.190 nan 0.000 0.494 4587 V N 1.563 121.490 119.914 0.021 0.000 2.876 4587 V HA 0.900 5.021 4.120 0.000 0.000 0.312 4587 V C -0.631 175.473 176.094 0.017 0.000 1.085 4587 V CA -0.711 61.600 62.300 0.019 0.000 0.945 4587 V CB 2.490 34.321 31.823 0.014 0.000 1.017 4587 V HN 0.657 nan 8.190 nan 0.000 0.428 4588 E N 2.367 122.576 120.200 0.015 0.000 2.336 4588 E HA 0.653 5.003 4.350 0.000 0.000 0.267 4588 E C -3.234 173.372 176.600 0.010 0.000 0.906 4588 E CA -2.432 53.975 56.400 0.012 0.000 0.781 4588 E CB 2.090 31.797 29.700 0.012 0.000 1.261 4588 E HN 0.464 nan 8.360 nan 0.000 0.436 4589 P HA -0.027 nan 4.420 nan 0.000 0.266 4589 P C 0.892 178.196 177.300 0.006 0.000 1.195 4589 P CA -0.302 62.801 63.100 0.006 0.000 0.768 4589 P CB 0.444 32.147 31.700 0.005 0.000 0.838 4590 L N 4.030 125.257 121.223 0.006 0.000 2.079 4590 L HA -0.205 4.135 4.340 0.000 0.000 0.210 4590 L C 2.087 178.960 176.870 0.004 0.000 1.081 4590 L CA 1.946 56.790 54.840 0.006 0.000 0.752 4590 L CB -0.617 41.445 42.059 0.005 0.000 0.896 4590 L HN 0.242 nan 8.230 nan 0.000 0.433 4591 R N -0.532 119.971 120.500 0.004 0.000 2.117 4591 R HA -0.129 4.211 4.340 0.000 0.000 0.243 4591 R C 2.230 178.532 176.300 0.003 0.000 1.143 4591 R CA 1.557 57.660 56.100 0.004 0.000 0.968 4591 R CB -1.365 28.937 30.300 0.003 0.000 0.863 4591 R HN 0.389 nan 8.270 nan 0.000 0.444 4592 V N 1.653 121.569 119.914 0.003 0.000 2.287 4592 V HA -0.239 3.881 4.120 0.000 0.000 0.248 4592 V C 2.393 178.487 176.094 -0.001 0.000 1.053 4592 V CA 1.755 64.055 62.300 0.001 0.000 1.027 4592 V CB -0.300 31.524 31.823 0.002 0.000 0.646 4592 V HN 0.212 nan 8.190 nan 0.000 0.447 4593 K N -0.714 119.686 120.400 -0.000 0.000 2.137 4593 K HA -0.039 4.281 4.320 0.000 0.000 0.202 4593 K C 2.291 178.892 176.600 0.001 0.000 1.052 4593 K CA 1.501 57.786 56.287 -0.002 0.000 0.961 4593 K CB -0.664 31.835 32.500 -0.002 0.000 0.741 4593 K HN 0.458 nan 8.250 nan 0.000 0.452 4594 T N 0.713 115.269 114.554 0.004 0.000 2.942 4594 T HA -0.119 4.231 4.350 0.000 0.000 0.265 4594 T C 1.824 176.529 174.700 0.009 0.000 1.062 4594 T CA 1.205 63.310 62.100 0.007 0.000 1.139 4594 T CB 0.174 69.045 68.868 0.006 0.000 0.883 4594 T HN 0.071 nan 8.240 nan 0.000 0.468 4595 Q N 0.640 120.444 119.800 0.007 0.000 2.137 4595 Q HA 0.316 4.656 4.340 0.000 0.000 0.198 4595 Q C 2.210 178.215 176.000 0.008 0.000 0.960 4595 Q CA 1.535 57.342 55.803 0.007 0.000 0.847 4595 Q CB -0.687 28.054 28.738 0.005 0.000 0.915 4595 Q HN 0.514 nan 8.270 nan 0.000 0.448 4596 A N 0.750 123.571 122.820 0.003 0.000 1.865 4596 A HA -0.161 4.160 4.320 0.000 0.000 0.217 4596 A C 1.932 179.518 177.584 0.004 0.000 1.191 4596 A CA 1.628 53.664 52.037 -0.002 0.000 0.623 4596 A CB -0.763 18.230 19.000 -0.011 0.000 0.826 4596 A HN 0.450 nan 8.150 nan 0.000 0.444 4597 I N -0.242 120.335 120.570 0.011 0.000 2.286 4597 I HA -0.191 3.979 4.170 0.000 0.000 0.248 4597 I C 2.658 178.807 176.117 0.053 0.000 1.115 4597 I CA 1.198 62.520 61.300 0.037 0.000 1.392 4597 I CB -1.357 36.672 38.000 0.048 0.000 1.065 4597 I HN 0.396 nan 8.210 nan 0.000 0.418 4598 Q N 0.536 120.357 119.800 0.035 0.000 1.965 4598 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 4598 Q C 2.485 178.507 176.000 0.037 0.000 0.981 4598 Q CA 1.764 57.587 55.803 0.033 0.000 0.834 4598 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 4598 Q HN 0.372 nan 8.270 nan 0.000 0.426 4599 S N 0.987 116.703 115.700 0.027 0.000 2.368 4599 S HA -0.117 4.353 4.470 0.000 0.000 0.225 4599 S C 1.951 176.571 174.600 0.033 0.000 1.030 4599 S CA 1.050 59.266 58.200 0.026 0.000 0.999 4599 S CB -0.235 62.975 63.200 0.017 0.000 0.844 4599 S HN 0.492 nan 8.310 nan 0.000 0.459 4600 A N 1.566 124.404 122.820 0.031 0.000 1.873 4600 A HA 0.136 4.456 4.320 0.000 0.000 0.215 4600 A C 2.362 179.986 177.584 0.066 0.000 1.186 4600 A CA 1.678 53.734 52.037 0.032 0.000 0.616 4600 A CB -1.117 17.886 19.000 0.006 0.000 0.823 4600 A HN 0.509 nan 8.150 nan 0.000 0.442 4601 A N -0.618 122.260 122.820 0.096 0.000 1.902 4601 A HA -0.130 4.190 4.320 0.000 0.000 0.217 4601 A C 1.991 179.656 177.584 0.136 0.000 1.181 4601 A CA 1.706 53.841 52.037 0.163 0.000 0.623 4601 A CB -0.375 18.737 19.000 0.186 0.000 0.818 4601 A HN 0.449 nan 8.150 nan 0.000 0.443 4602 E N -0.501 119.752 120.200 0.089 0.000 2.072 4602 E HA -0.088 4.262 4.350 0.000 0.000 0.190 4602 E C 2.309 178.948 176.600 0.065 0.000 0.982 4602 E CA 1.234 57.676 56.400 0.070 0.000 0.803 4602 E CB -0.488 29.240 29.700 0.047 0.000 0.755 4602 E HN 0.519 nan 8.360 nan 0.000 0.453 4603 S N -0.115 115.620 115.700 0.058 0.000 2.387 4603 S HA -0.083 4.387 4.470 0.000 0.000 0.226 4603 S C 1.998 176.633 174.600 0.059 0.000 1.026 4603 S CA 1.431 59.660 58.200 0.048 0.000 0.972 4603 S CB -0.106 63.115 63.200 0.036 0.000 0.814 4603 S HN 0.194 nan 8.310 nan 0.000 0.477 4604 T N 1.505 116.108 114.554 0.082 0.000 2.708 4604 T HA -0.094 4.256 4.350 0.000 0.000 0.266 4604 T C 1.750 176.533 174.700 0.137 0.000 1.037 4604 T CA 1.579 63.746 62.100 0.111 0.000 1.146 4604 T CB -0.371 68.581 68.868 0.140 0.000 0.865 4604 T HN 0.578 nan 8.240 nan 0.000 0.435 4605 E N 0.521 120.817 120.200 0.159 0.000 2.106 4605 E HA -0.113 4.237 4.350 0.000 0.000 0.192 4605 E C 2.215 178.854 176.600 0.064 0.000 0.984 4605 E CA 0.784 57.262 56.400 0.131 0.000 0.806 4605 E CB -0.184 29.599 29.700 0.139 0.000 0.750 4605 E HN 0.471 nan 8.360 nan 0.000 0.458 4606 M N 0.190 119.825 119.600 0.057 0.000 2.086 4606 M HA -0.196 4.284 4.480 0.000 0.000 0.261 4606 M C 1.790 178.105 176.300 0.025 0.000 1.067 4606 M CA 1.235 56.556 55.300 0.035 0.000 1.116 4606 M CB -0.004 32.615 32.600 0.033 0.000 1.348 4606 M HN 0.186 nan 8.290 nan 0.000 0.407 4607 L N 0.791 122.032 121.223 0.029 0.000 2.042 4607 L HA -0.173 4.167 4.340 0.000 0.000 0.210 4607 L C 2.239 179.112 176.870 0.006 0.000 1.076 4607 L CA 1.749 56.598 54.840 0.016 0.000 0.749 4607 L CB -1.070 41.002 42.059 0.020 0.000 0.893 4607 L HN 0.401 nan 8.230 nan 0.000 0.432 4608 L N -1.466 119.765 121.223 0.013 0.000 2.201 4608 L HA -0.153 4.187 4.340 0.000 0.000 0.212 4608 L C 2.481 179.337 176.870 -0.023 0.000 1.105 4608 L CA 0.745 55.577 54.840 -0.014 0.000 0.775 4608 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 4608 L HN 0.214 nan 8.230 nan 0.000 0.440 4609 R N -0.075 120.421 120.500 -0.006 0.000 2.193 4609 R HA 0.102 4.442 4.340 0.000 0.000 0.213 4609 R C 0.536 176.834 176.300 -0.003 0.000 1.055 4609 R CA 0.316 56.414 56.100 -0.003 0.000 0.995 4609 R CB -0.042 30.263 30.300 0.008 0.000 0.893 4609 R HN 0.254 nan 8.270 nan 0.000 0.459 4610 I N 2.581 123.149 120.570 -0.003 0.000 2.471 4610 I HA -0.047 4.123 4.170 0.000 0.000 0.286 4610 I C 0.408 176.520 176.117 -0.009 0.000 1.079 4610 I CA 0.049 61.348 61.300 -0.003 0.000 1.398 4610 I CB 0.991 38.989 38.000 -0.003 0.000 1.403 4610 I HN 0.134 nan 8.210 nan 0.000 0.530 4611 D N 3.002 123.400 120.400 -0.003 0.000 2.469 4611 D HA 0.127 4.767 4.640 0.000 0.000 0.215 4611 D C -0.286 176.021 176.300 0.011 0.000 1.154 4611 D CA -0.040 53.957 54.000 -0.005 0.000 0.832 4611 D CB 0.387 41.180 40.800 -0.012 0.000 1.008 4611 D HN 0.354 nan 8.370 nan 0.000 0.506 4612 D N 0.058 120.471 120.400 0.022 0.000 2.688 4612 D HA 0.248 4.888 4.640 0.000 0.000 0.210 4612 D C -1.711 174.619 176.300 0.051 0.000 1.333 4612 D CA -0.471 53.552 54.000 0.038 0.000 0.920 4612 D CB 1.930 42.745 40.800 0.025 0.000 1.554 4612 D HN -0.170 nan 8.370 nan 0.000 0.579 4613 V N 4.267 124.239 119.914 0.096 0.000 2.444 4613 V HA 0.556 4.676 4.120 0.000 0.000 0.294 4613 V C -0.122 176.058 176.094 0.143 0.000 1.022 4613 V CA -0.668 61.703 62.300 0.118 0.000 0.850 4613 V CB 1.481 33.381 31.823 0.130 0.000 0.992 4613 V HN 0.431 nan 8.190 nan 0.000 0.426 4614 I N 4.575 125.198 120.570 0.089 0.000 2.390 4614 I HA 0.772 4.942 4.170 0.000 0.000 0.283 4614 I C 0.292 176.448 176.117 0.066 0.000 1.016 4614 I CA -0.053 61.283 61.300 0.060 0.000 1.151 4614 I CB 1.631 39.650 38.000 0.031 0.000 1.293 4614 I HN 0.684 nan 8.210 nan 0.000 0.458 4615 A N 4.343 127.210 122.820 0.079 0.000 2.401 4615 A HA 0.949 5.269 4.320 0.000 0.000 0.310 4615 A C -0.062 177.553 177.584 0.052 0.000 1.075 4615 A CA -0.684 51.402 52.037 0.082 0.000 0.746 4615 A CB 1.244 20.327 19.000 0.138 0.000 1.277 4615 A HN 0.748 nan 8.150 nan 0.000 0.425 4616 A N 0.741 123.588 122.820 0.044 0.000 2.448 4616 A HA 0.428 4.748 4.320 0.000 0.000 0.239 4616 A C 0.844 178.447 177.584 0.032 0.000 1.080 4616 A CA 0.012 52.066 52.037 0.029 0.000 0.779 4616 A CB -0.016 19.000 19.000 0.026 0.000 1.026 4616 A HN 0.923 nan 8.150 nan 0.000 0.499 4617 E N 0.000 120.211 120.200 0.019 0.000 2.725 4617 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4617 E CA 0.000 56.411 56.400 0.018 0.000 0.976 4617 E CB 0.000 29.705 29.700 0.008 0.000 0.812 4617 E HN 0.000 nan 8.360 nan 0.000 0.440