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 3izi_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 0.000 176.094 176.094 0.000 0.000 1.182 4105 V CA 0.000 62.300 62.300 0.000 0.000 1.235 4105 V CB 0.000 31.825 31.823 0.003 0.000 1.184 4106 L N 3.835 125.056 121.223 -0.002 0.000 2.334 4106 L HA 0.625 4.965 4.340 -0.001 0.000 0.277 4106 L C -2.017 174.849 176.870 -0.006 0.000 1.075 4106 L CA -1.443 53.395 54.840 -0.003 0.000 0.804 4106 L CB 0.255 42.310 42.059 -0.007 0.000 1.174 4106 L HN 0.169 nan 8.230 nan 0.000 0.438 4107 P HA 0.068 nan 4.420 nan 0.000 0.272 4107 P C -0.636 176.658 177.300 -0.010 0.000 1.223 4107 P CA -0.571 62.525 63.100 -0.006 0.000 0.784 4107 P CB 0.578 32.276 31.700 -0.004 0.000 0.923 4108 E N 1.884 122.079 120.200 -0.010 0.000 2.415 4108 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 4108 E C 0.628 177.220 176.600 -0.013 0.000 1.016 4108 E CA 0.812 57.205 56.400 -0.012 0.000 0.924 4108 E CB -0.438 29.256 29.700 -0.010 0.000 0.961 4108 E HN 0.610 nan 8.360 nan 0.000 0.459 4109 N N 2.355 121.045 118.700 -0.017 0.000 2.990 4109 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 4109 N C -0.634 174.865 175.510 -0.019 0.000 1.452 4109 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 4109 N CB -1.140 37.341 38.487 -0.011 0.000 1.088 4109 N HN 0.483 nan 8.380 nan 0.000 0.695 4110 M N 2.606 122.196 119.600 -0.017 0.000 2.238 4110 M HA 0.259 4.739 4.480 -0.001 0.000 0.350 4110 M C -0.419 175.859 176.300 -0.037 0.000 1.321 4110 M CA 0.493 55.785 55.300 -0.015 0.000 1.097 4110 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 4110 M HN 0.055 nan 8.290 nan 0.000 0.455 4111 K N 4.209 124.585 120.400 -0.040 0.000 2.143 4111 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 4111 K C -0.640 175.871 176.600 -0.150 0.000 1.001 4111 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 4111 K CB 1.422 33.841 32.500 -0.135 0.000 1.047 4111 K HN 0.634 nan 8.250 nan 0.000 0.458 4112 R N 2.452 122.779 120.500 -0.287 0.000 2.628 4112 R HA 0.320 4.659 4.340 -0.001 0.000 0.288 4112 R C -1.601 174.483 176.300 -0.360 0.000 0.980 4112 R CA -0.586 55.399 56.100 -0.191 0.000 0.891 4112 R CB 0.949 31.199 30.300 -0.083 0.000 1.188 4112 R HN 0.534 nan 8.270 nan 0.000 0.450 4113 Y N 4.578 124.888 120.300 0.018 0.000 2.446 4113 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 4113 Y C 0.262 176.168 175.900 0.010 0.000 0.984 4113 Y CA -0.892 57.217 58.100 0.016 0.000 1.058 4113 Y CB 2.209 40.684 38.460 0.024 0.000 1.220 4113 Y HN 0.404 nan 8.280 nan 0.000 0.455 4114 M N 1.101 120.784 119.600 0.140 0.000 2.534 4114 M HA 0.755 5.234 4.480 -0.001 0.000 0.280 4114 M C 0.043 176.377 176.300 0.057 0.000 1.217 4114 M CA -0.204 55.143 55.300 0.078 0.000 0.893 4114 M CB 1.311 33.935 32.600 0.042 0.000 1.730 4114 M HN 0.845 nan 8.290 nan 0.000 0.483 4115 G N 3.033 111.853 108.800 0.034 0.000 2.629 4115 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 4115 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 4115 G C 0.511 175.417 174.900 0.010 0.000 1.217 4115 G CA 1.524 46.630 45.100 0.010 0.000 0.994 4115 G HN 1.172 nan 8.290 nan 0.000 0.549 4116 R N 1.028 121.531 120.500 0.005 0.000 2.159 4116 R HA -0.004 4.335 4.340 -0.001 0.000 0.237 4116 R C 2.129 178.448 176.300 0.031 0.000 1.131 4116 R CA 2.630 58.733 56.100 0.005 0.000 0.982 4116 R CB -0.622 29.678 30.300 0.001 0.000 0.868 4116 R HN 0.603 nan 8.270 nan 0.000 0.453 4117 D N -0.423 120.017 120.400 0.067 0.000 2.162 4117 D HA -0.011 4.628 4.640 -0.001 0.000 0.203 4117 D C 1.619 178.016 176.300 0.161 0.000 0.967 4117 D CA 1.379 55.463 54.000 0.141 0.000 0.840 4117 D CB -0.139 40.773 40.800 0.187 0.000 0.972 4117 D HN 0.354 nan 8.370 nan 0.000 0.482 4118 A N 1.095 123.995 122.820 0.133 0.000 1.930 4118 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 4118 A C 2.146 179.723 177.584 -0.012 0.000 1.175 4118 A CA 1.154 53.242 52.037 0.085 0.000 0.627 4118 A CB -0.235 18.817 19.000 0.086 0.000 0.815 4118 A HN 0.064 nan 8.150 nan 0.000 0.443 4119 Q N -0.703 119.093 119.800 -0.006 0.000 2.062 4119 Q HA -0.098 4.241 4.340 -0.001 0.000 0.196 4119 Q C 2.276 178.250 176.000 -0.043 0.000 0.967 4119 Q CA 1.376 57.163 55.803 -0.026 0.000 0.832 4119 Q CB -0.412 28.312 28.738 -0.022 0.000 0.899 4119 Q HN 0.750 nan 8.270 nan 0.000 0.442 4120 R N 0.295 120.776 120.500 -0.032 0.000 2.083 4120 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 4120 R C 2.285 178.522 176.300 -0.104 0.000 1.137 4120 R CA 1.366 57.439 56.100 -0.044 0.000 0.951 4120 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 4120 R HN 0.184 nan 8.270 nan 0.000 0.434 4121 M N 1.032 120.538 119.600 -0.157 0.000 2.086 4121 M HA -0.162 4.317 4.480 -0.001 0.000 0.261 4121 M C 1.156 177.249 176.300 -0.344 0.000 1.067 4121 M CA 1.813 56.910 55.300 -0.338 0.000 1.116 4121 M CB -0.768 31.400 32.600 -0.720 0.000 1.348 4121 M HN 0.135 nan 8.290 nan 0.000 0.407 4122 N N 0.863 119.425 118.700 -0.230 0.000 2.166 4122 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 4122 N C 1.809 177.234 175.510 -0.141 0.000 1.019 4122 N CA 1.438 54.388 53.050 -0.166 0.000 0.856 4122 N CB -0.463 37.971 38.487 -0.088 0.000 0.993 4122 N HN 0.483 nan 8.380 nan 0.000 0.426 4123 I N 0.128 120.629 120.570 -0.115 0.000 2.315 4123 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 4123 I C 1.609 177.655 176.117 -0.117 0.000 1.117 4123 I CA 0.540 61.789 61.300 -0.084 0.000 1.404 4123 I CB -0.033 37.936 38.000 -0.051 0.000 1.071 4123 I HN 0.019 nan 8.210 nan 0.000 0.419 4124 L N 0.659 121.782 121.223 -0.167 0.000 2.093 4124 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 4124 L C 2.662 179.377 176.870 -0.259 0.000 1.085 4124 L CA 1.967 56.693 54.840 -0.189 0.000 0.755 4124 L CB -1.263 40.675 42.059 -0.201 0.000 0.904 4124 L HN 0.183 nan 8.230 nan 0.000 0.435 4125 A N -0.625 121.957 122.820 -0.397 0.000 1.858 4125 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 4125 A C 2.409 179.899 177.584 -0.157 0.000 1.190 4125 A CA 1.722 53.516 52.037 -0.405 0.000 0.617 4125 A CB -1.341 17.405 19.000 -0.422 0.000 0.827 4125 A HN 0.419 nan 8.150 nan 0.000 0.443 4126 G N -0.927 107.801 108.800 -0.120 0.000 2.402 4126 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 4126 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 4126 G C 1.746 176.609 174.900 -0.060 0.000 1.162 4126 G CA 0.986 46.046 45.100 -0.066 0.000 0.777 4126 G HN 0.551 nan 8.290 nan 0.000 0.539 4127 R N 0.002 120.459 120.500 -0.072 0.000 2.075 4127 R HA 0.066 4.405 4.340 -0.001 0.000 0.232 4127 R C 2.506 178.775 176.300 -0.052 0.000 1.126 4127 R CA 1.038 57.102 56.100 -0.059 0.000 0.963 4127 R CB -0.311 29.954 30.300 -0.058 0.000 0.858 4127 R HN 0.406 nan 8.270 nan 0.000 0.435 4128 I N 0.779 121.313 120.570 -0.060 0.000 2.226 4128 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 4128 I C 2.069 178.170 176.117 -0.026 0.000 1.100 4128 I CA 0.820 62.096 61.300 -0.039 0.000 1.374 4128 I CB -0.189 37.790 38.000 -0.036 0.000 1.057 4128 I HN 0.212 nan 8.210 nan 0.000 0.413 4129 I N 1.064 121.618 120.570 -0.026 0.000 2.179 4129 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 4129 I C 2.831 178.934 176.117 -0.023 0.000 1.088 4129 I CA 1.776 63.066 61.300 -0.017 0.000 1.357 4129 I CB -1.506 36.486 38.000 -0.013 0.000 1.051 4129 I HN 0.186 nan 8.210 nan 0.000 0.409 4130 A N 0.157 122.958 122.820 -0.032 0.000 1.969 4130 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 4130 A C 2.170 179.733 177.584 -0.035 0.000 1.169 4130 A CA 1.175 53.190 52.037 -0.037 0.000 0.635 4130 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 4130 A HN 0.338 nan 8.150 nan 0.000 0.445 4131 E N -0.298 119.882 120.200 -0.033 0.000 2.110 4131 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 4131 E C 2.085 178.670 176.600 -0.025 0.000 0.988 4131 E CA 1.699 58.082 56.400 -0.030 0.000 0.804 4131 E CB -0.610 29.073 29.700 -0.028 0.000 0.745 4131 E HN 0.600 nan 8.360 nan 0.000 0.458 4132 T N 0.744 115.285 114.554 -0.022 0.000 2.770 4132 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 4132 T C 2.121 176.809 174.700 -0.020 0.000 1.039 4132 T CA 0.973 63.062 62.100 -0.018 0.000 1.142 4132 T CB -0.099 68.761 68.868 -0.012 0.000 0.868 4132 T HN -0.036 nan 8.240 nan 0.000 0.435 4133 V N 2.759 122.660 119.914 -0.022 0.000 2.548 4133 V HA -0.113 4.007 4.120 -0.001 0.000 0.249 4133 V C 2.630 178.707 176.094 -0.028 0.000 1.055 4133 V CA 1.503 63.789 62.300 -0.023 0.000 1.065 4133 V CB -0.679 31.130 31.823 -0.023 0.000 0.681 4133 V HN 0.522 nan 8.190 nan 0.000 0.462 4134 R N 1.662 122.143 120.500 -0.033 0.000 2.200 4134 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 4134 R C 2.065 178.342 176.300 -0.037 0.000 1.127 4134 R CA 1.730 57.807 56.100 -0.038 0.000 0.989 4134 R CB -0.884 29.391 30.300 -0.042 0.000 0.869 4134 R HN 0.598 nan 8.270 nan 0.000 0.459 4135 S N 0.287 115.968 115.700 -0.033 0.000 2.555 4135 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 4135 S C 1.699 176.279 174.600 -0.033 0.000 0.978 4135 S CA 0.824 59.004 58.200 -0.033 0.000 0.934 4135 S CB -0.063 63.120 63.200 -0.028 0.000 0.766 4135 S HN 0.587 nan 8.310 nan 0.000 0.533 4136 T N -1.035 113.501 114.554 -0.030 0.000 3.060 4136 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 4136 T C 0.375 175.057 174.700 -0.031 0.000 1.079 4136 T CA -0.496 61.587 62.100 -0.028 0.000 1.013 4136 T CB -0.446 68.409 68.868 -0.021 0.000 0.975 4136 T HN 0.279 nan 8.240 nan 0.000 0.518 4137 L N 2.850 124.051 121.223 -0.036 0.000 2.462 4137 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 4137 L C 0.702 177.543 176.870 -0.048 0.000 1.166 4137 L CA 1.595 56.412 54.840 -0.039 0.000 0.880 4137 L CB -0.667 41.365 42.059 -0.044 0.000 1.142 4137 L HN 0.703 nan 8.230 nan 0.000 0.473 4138 G N 4.047 112.822 108.800 -0.042 0.000 2.663 4138 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.686 4138 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.686 4138 G C -2.117 172.745 174.900 -0.064 0.000 1.288 4138 G CA -0.455 44.612 45.100 -0.055 0.000 0.836 4138 G HN 0.482 nan 8.290 nan 0.000 0.584 4139 P HA -0.009 nan 4.420 nan 0.000 0.219 4139 P C 1.370 178.555 177.300 -0.192 0.000 1.146 4139 P CA 1.477 64.509 63.100 -0.115 0.000 0.808 4139 P CB 0.053 31.605 31.700 -0.247 0.000 0.779 4140 K N -0.779 119.483 120.400 -0.230 0.000 2.437 4140 K HA 0.266 4.585 4.320 -0.001 0.000 0.205 4140 K C 0.932 177.470 176.600 -0.103 0.000 1.026 4140 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 4140 K CB -0.302 32.070 32.500 -0.214 0.000 0.863 4140 K HN 0.017 nan 8.250 nan 0.000 0.502 4141 G N 0.523 109.275 108.800 -0.079 0.000 2.594 4141 G HA2 0.168 4.127 3.960 -0.001 0.000 0.243 4141 G HA3 0.168 4.127 3.960 -0.001 0.000 0.243 4141 G C 0.037 174.913 174.900 -0.040 0.000 1.229 4141 G CA -0.386 44.682 45.100 -0.053 0.000 0.843 4141 G HN -0.021 nan 8.290 nan 0.000 0.578 4142 M N 0.072 119.652 119.600 -0.033 0.000 2.705 4142 M HA 0.401 4.880 4.480 -0.001 0.000 0.272 4142 M C -0.482 175.805 176.300 -0.021 0.000 1.172 4142 M CA -0.575 54.709 55.300 -0.026 0.000 0.901 4142 M CB 1.233 33.817 32.600 -0.027 0.000 1.516 4142 M HN 0.344 nan 8.290 nan 0.000 0.530 4143 D N 0.555 120.944 120.400 -0.019 0.000 2.326 4143 D HA 0.473 5.113 4.640 -0.001 0.000 0.248 4143 D C -0.533 175.756 176.300 -0.019 0.000 1.001 4143 D CA -0.335 53.655 54.000 -0.017 0.000 0.961 4143 D CB 1.271 42.061 40.800 -0.017 0.000 1.183 4143 D HN 0.089 nan 8.370 nan 0.000 0.502 4144 K N 0.777 121.166 120.400 -0.019 0.000 2.259 4144 K HA 0.433 4.752 4.320 -0.001 0.000 0.252 4144 K C -0.580 176.006 176.600 -0.024 0.000 0.936 4144 K CA -0.651 55.625 56.287 -0.019 0.000 0.810 4144 K CB 2.310 34.801 32.500 -0.015 0.000 1.143 4144 K HN 0.428 nan 8.250 nan 0.000 0.427 4145 M N 4.058 123.643 119.600 -0.026 0.000 2.036 4145 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 4145 M C -1.544 174.741 176.300 -0.026 0.000 1.012 4145 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 4145 M CB 0.314 32.892 32.600 -0.036 0.000 1.423 4145 M HN 0.333 nan 8.290 nan 0.000 0.405 4146 L N 5.964 127.172 121.223 -0.025 0.000 2.265 4146 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 4146 L C -0.819 176.041 176.870 -0.016 0.000 1.033 4146 L CA -0.236 54.594 54.840 -0.016 0.000 0.814 4146 L CB 1.666 43.719 42.059 -0.010 0.000 1.203 4146 L HN 0.415 nan 8.230 nan 0.000 0.423 4147 V N 2.953 122.860 119.914 -0.012 0.000 2.384 4147 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 4147 V C -0.198 175.894 176.094 -0.004 0.000 1.020 4147 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 4147 V CB 1.523 33.339 31.823 -0.011 0.000 0.987 4147 V HN 0.789 nan 8.190 nan 0.000 0.436 4148 D N 2.373 122.773 120.400 0.000 0.000 2.447 4148 D HA 0.055 4.694 4.640 -0.001 0.000 0.265 4148 D C 0.889 177.190 176.300 0.002 0.000 1.250 4148 D CA -0.474 53.528 54.000 0.002 0.000 1.046 4148 D CB 0.645 41.449 40.800 0.006 0.000 1.095 4148 D HN 0.429 nan 8.370 nan 0.000 0.555 4149 D N -1.689 118.713 120.400 0.002 0.000 2.219 4149 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 4149 D C 1.496 177.797 176.300 0.003 0.000 0.970 4149 D CA 0.687 54.688 54.000 0.002 0.000 0.851 4149 D CB 0.005 40.805 40.800 0.001 0.000 0.943 4149 D HN 0.193 nan 8.370 nan 0.000 0.488 4150 L N -1.097 120.129 121.223 0.005 0.000 2.558 4150 L HA 0.346 4.685 4.340 -0.001 0.000 0.225 4150 L C 2.044 178.919 176.870 0.008 0.000 1.128 4150 L CA 0.975 55.819 54.840 0.007 0.000 0.868 4150 L CB 0.128 42.192 42.059 0.008 0.000 1.006 4150 L HN 0.277 nan 8.230 nan 0.000 0.454 4151 G N -1.500 107.304 108.800 0.007 0.000 2.213 4151 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 4151 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 4151 G C 0.321 175.228 174.900 0.011 0.000 0.992 4151 G CA 0.113 45.218 45.100 0.007 0.000 0.632 4151 G HN 0.333 nan 8.290 nan 0.000 0.511 4152 D N 0.952 121.362 120.400 0.017 0.000 2.401 4152 D HA 0.414 5.054 4.640 -0.001 0.000 0.254 4152 D C 0.258 176.570 176.300 0.019 0.000 1.192 4152 D CA 0.504 54.522 54.000 0.029 0.000 0.885 4152 D CB 1.315 42.135 40.800 0.034 0.000 1.147 4152 D HN 0.587 nan 8.370 nan 0.000 0.478 4153 V N 4.888 124.810 119.914 0.012 0.000 2.555 4153 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 4153 V C -1.053 175.014 176.094 -0.044 0.000 1.038 4153 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 4153 V CB 1.905 33.695 31.823 -0.055 0.000 0.991 4153 V HN 0.344 nan 8.190 nan 0.000 0.434 4154 V N 6.932 126.824 119.914 -0.038 0.000 2.604 4154 V HA 0.710 4.830 4.120 -0.001 0.000 0.305 4154 V C -0.892 175.170 176.094 -0.053 0.000 1.043 4154 V CA -0.232 62.049 62.300 -0.032 0.000 0.888 4154 V CB 2.271 34.104 31.823 0.016 0.000 0.995 4154 V HN 0.786 nan 8.190 nan 0.000 0.429 4155 V N 5.854 125.727 119.914 -0.067 0.000 2.417 4155 V HA 0.789 4.909 4.120 -0.001 0.000 0.291 4155 V C 0.089 176.172 176.094 -0.018 0.000 1.024 4155 V CA 0.020 62.289 62.300 -0.052 0.000 0.861 4155 V CB 1.596 33.374 31.823 -0.075 0.000 0.985 4155 V HN 1.075 nan 8.190 nan 0.000 0.436 4156 T N 2.594 117.140 114.554 -0.013 0.000 2.769 4156 T HA 0.312 4.661 4.350 -0.001 0.000 0.306 4156 T C 0.070 174.766 174.700 -0.006 0.000 1.400 4156 T CA -0.360 61.739 62.100 -0.003 0.000 1.007 4156 T CB 1.995 70.865 68.868 0.003 0.000 1.392 4156 T HN 0.656 nan 8.240 nan 0.000 0.500 4157 N N 0.804 119.503 118.700 -0.002 0.000 2.210 4157 N HA 0.082 4.821 4.740 -0.001 0.000 0.203 4157 N C -0.315 175.193 175.510 -0.004 0.000 1.175 4157 N CA 0.014 53.061 53.050 -0.005 0.000 0.894 4157 N CB 0.472 38.957 38.487 -0.004 0.000 1.041 4157 N HN 0.693 nan 8.380 nan 0.000 0.506 4158 D N -0.101 120.298 120.400 -0.001 0.000 2.401 4158 D HA 0.186 4.826 4.640 -0.001 0.000 0.254 4158 D C 1.497 177.795 176.300 -0.003 0.000 1.192 4158 D CA 0.289 54.289 54.000 -0.000 0.000 0.885 4158 D CB 1.014 41.816 40.800 0.004 0.000 1.147 4158 D HN 0.269 nan 8.370 nan 0.000 0.478 4159 G N 2.611 111.409 108.800 -0.005 0.000 2.440 4159 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 4159 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 4159 G C 1.513 176.411 174.900 -0.004 0.000 1.154 4159 G CA 0.732 45.828 45.100 -0.007 0.000 0.767 4159 G HN 0.488 nan 8.290 nan 0.000 0.552 4160 V N 0.822 120.735 119.914 -0.002 0.000 2.270 4160 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 4160 V C 3.179 179.274 176.094 0.001 0.000 1.043 4160 V CA 2.383 64.683 62.300 0.000 0.000 1.014 4160 V CB -0.904 30.919 31.823 0.001 0.000 0.645 4160 V HN 0.401 nan 8.190 nan 0.000 0.447 4161 T N 0.389 114.944 114.554 0.002 0.000 2.720 4161 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 4161 T C 1.795 176.496 174.700 0.002 0.000 1.037 4161 T CA 1.950 64.052 62.100 0.004 0.000 1.144 4161 T CB -0.312 68.559 68.868 0.006 0.000 0.864 4161 T HN 0.338 nan 8.240 nan 0.000 0.444 4162 I N 0.249 120.819 120.570 -0.000 0.000 2.179 4162 I HA -0.138 4.032 4.170 -0.001 0.000 0.242 4162 I C 2.114 178.231 176.117 -0.000 0.000 1.088 4162 I CA 1.007 62.306 61.300 -0.002 0.000 1.357 4162 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 4162 I HN 0.156 nan 8.210 nan 0.000 0.409 4163 L N 0.169 121.392 121.223 0.000 0.000 2.156 4163 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 4163 L C 2.492 179.364 176.870 0.003 0.000 1.095 4163 L CA 1.495 56.337 54.840 0.002 0.000 0.770 4163 L CB -0.956 41.103 42.059 0.001 0.000 0.914 4163 L HN 0.151 nan 8.230 nan 0.000 0.439 4164 R N -0.107 120.395 120.500 0.003 0.000 2.066 4164 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 4164 R C 1.923 178.226 176.300 0.004 0.000 1.131 4164 R CA 1.238 57.340 56.100 0.004 0.000 0.955 4164 R CB 0.044 30.346 30.300 0.004 0.000 0.851 4164 R HN 0.320 nan 8.270 nan 0.000 0.432 4165 E N 1.038 121.240 120.200 0.003 0.000 2.112 4165 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 4165 E C 1.207 177.808 176.600 0.002 0.000 0.979 4165 E CA 0.535 56.937 56.400 0.004 0.000 0.814 4165 E CB -0.354 29.348 29.700 0.004 0.000 0.762 4165 E HN 0.462 nan 8.360 nan 0.000 0.460 4166 M N 0.714 120.315 119.600 0.002 0.000 2.252 4166 M HA 0.098 4.577 4.480 -0.001 0.000 0.333 4166 M C 0.209 176.510 176.300 0.002 0.000 1.111 4166 M CA 0.141 55.442 55.300 0.002 0.000 1.140 4166 M CB 0.433 33.034 32.600 0.002 0.000 1.538 4166 M HN -0.230 nan 8.290 nan 0.000 0.448 4167 S N 2.359 118.059 115.700 0.000 0.000 2.955 4167 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 4167 S C -0.254 174.344 174.600 -0.003 0.000 1.198 4167 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 4167 S CB -0.357 62.840 63.200 -0.005 0.000 1.279 4167 S HN 0.570 nan 8.310 nan 0.000 0.508 4168 V N 3.391 123.305 119.914 0.000 0.000 2.686 4168 V HA 0.214 4.334 4.120 -0.001 0.000 0.295 4168 V C 1.394 177.479 176.094 -0.016 0.000 1.055 4168 V CA -0.102 62.201 62.300 0.005 0.000 1.050 4168 V CB 1.269 33.102 31.823 0.018 0.000 0.984 4168 V HN 0.874 nan 8.190 nan 0.000 0.482 4169 E N 1.934 122.107 120.200 -0.045 0.000 2.256 4169 E HA 0.034 4.383 4.350 -0.001 0.000 0.198 4169 E C 0.458 176.968 176.600 -0.149 0.000 0.908 4169 E CA 0.194 56.519 56.400 -0.127 0.000 0.915 4169 E CB 0.298 29.863 29.700 -0.224 0.000 0.890 4169 E HN 0.743 nan 8.360 nan 0.000 0.484 4170 H N 1.672 120.731 119.070 -0.019 0.000 2.848 4170 H HA 0.075 4.630 4.556 -0.000 0.000 0.317 4170 H C -1.676 173.637 175.328 -0.026 0.000 1.046 4170 H CA -1.219 54.808 56.048 -0.036 0.000 1.470 4170 H CB 1.140 30.867 29.762 -0.059 0.000 1.483 4170 H HN 0.082 nan 8.280 nan 0.000 0.548 4171 P HA -0.133 nan 4.420 nan 0.000 0.218 4171 P C 1.334 178.660 177.300 0.042 0.000 1.148 4171 P CA 1.494 64.623 63.100 0.048 0.000 0.822 4171 P CB 0.269 31.993 31.700 0.039 0.000 0.784 4172 A N 0.242 123.088 122.820 0.043 0.000 1.902 4172 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 4172 A C 2.331 179.923 177.584 0.013 0.000 1.181 4172 A CA 2.154 54.197 52.037 0.011 0.000 0.623 4172 A CB -1.602 17.379 19.000 -0.032 0.000 0.818 4172 A HN 0.203 nan 8.150 nan 0.000 0.443 4173 A N -0.280 122.560 122.820 0.033 0.000 1.933 4173 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 4173 A C 2.070 179.669 177.584 0.025 0.000 1.175 4173 A CA 1.731 53.785 52.037 0.028 0.000 0.628 4173 A CB -0.407 18.626 19.000 0.055 0.000 0.814 4173 A HN 0.554 nan 8.150 nan 0.000 0.444 4174 K N -0.994 119.424 120.400 0.031 0.000 2.147 4174 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 4174 K C 1.830 178.440 176.600 0.017 0.000 1.049 4174 K CA 1.327 57.627 56.287 0.021 0.000 0.936 4174 K CB -0.185 32.327 32.500 0.021 0.000 0.722 4174 K HN 0.376 nan 8.250 nan 0.000 0.446 4175 M N 0.344 119.955 119.600 0.017 0.000 2.334 4175 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 4175 M C 2.137 178.444 176.300 0.013 0.000 1.082 4175 M CA 1.028 56.337 55.300 0.015 0.000 1.141 4175 M CB -0.608 32.002 32.600 0.017 0.000 1.380 4175 M HN 0.183 nan 8.290 nan 0.000 0.440 4176 L N 0.337 121.566 121.223 0.010 0.000 2.083 4176 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 4176 L C 2.219 179.091 176.870 0.005 0.000 1.083 4176 L CA 1.041 55.884 54.840 0.006 0.000 0.752 4176 L CB -0.199 41.860 42.059 -0.001 0.000 0.899 4176 L HN 0.181 nan 8.230 nan 0.000 0.433 4177 I N -0.319 120.255 120.570 0.006 0.000 2.335 4177 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 4177 I C 2.368 178.488 176.117 0.005 0.000 1.129 4177 I CA 1.040 62.343 61.300 0.005 0.000 1.402 4177 I CB -0.341 37.663 38.000 0.007 0.000 1.069 4177 I HN 0.306 nan 8.210 nan 0.000 0.424 4178 E N 0.393 120.598 120.200 0.008 0.000 2.204 4178 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 4178 E C 2.401 179.005 176.600 0.007 0.000 0.990 4178 E CA 1.061 57.466 56.400 0.008 0.000 0.821 4178 E CB -0.207 29.499 29.700 0.010 0.000 0.750 4178 E HN 0.384 nan 8.360 nan 0.000 0.477 4179 V N 1.487 121.405 119.914 0.007 0.000 2.307 4179 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 4179 V C 2.479 178.575 176.094 0.002 0.000 1.045 4179 V CA 1.755 64.058 62.300 0.006 0.000 1.024 4179 V CB -0.852 30.974 31.823 0.005 0.000 0.651 4179 V HN 0.241 nan 8.190 nan 0.000 0.449 4180 A N -0.286 122.534 122.820 0.000 0.000 1.940 4180 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 4180 A C 2.295 179.879 177.584 0.001 0.000 1.176 4180 A CA 2.027 54.063 52.037 -0.001 0.000 0.631 4180 A CB -0.415 18.583 19.000 -0.002 0.000 0.814 4180 A HN 0.557 nan 8.150 nan 0.000 0.446 4181 K N -1.606 118.796 120.400 0.002 0.000 2.062 4181 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 4181 K C 2.136 178.738 176.600 0.003 0.000 1.051 4181 K CA 1.533 57.821 56.287 0.003 0.000 0.941 4181 K CB -0.366 32.136 32.500 0.004 0.000 0.719 4181 K HN 0.422 nan 8.250 nan 0.000 0.440 4182 T N 0.773 115.329 114.554 0.004 0.000 2.995 4182 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 4182 T C 1.774 176.476 174.700 0.004 0.000 1.091 4182 T CA 0.809 62.911 62.100 0.004 0.000 1.128 4182 T CB 0.067 68.938 68.868 0.006 0.000 0.891 4182 T HN 0.085 nan 8.240 nan 0.000 0.492 4183 Q N 0.958 120.759 119.800 0.003 0.000 2.020 4183 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 4183 Q C 2.301 178.302 176.000 0.001 0.000 0.982 4183 Q CA 1.237 57.041 55.803 0.001 0.000 0.838 4183 Q CB -0.484 28.253 28.738 -0.001 0.000 0.899 4183 Q HN 0.539 nan 8.270 nan 0.000 0.423 4184 E N 0.903 121.104 120.200 0.001 0.000 2.106 4184 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 4184 E C 1.720 178.321 176.600 0.002 0.000 0.984 4184 E CA 0.952 57.353 56.400 0.002 0.000 0.806 4184 E CB 0.230 29.931 29.700 0.001 0.000 0.750 4184 E HN 0.282 nan 8.360 nan 0.000 0.458 4185 K N 0.075 120.476 120.400 0.002 0.000 2.076 4185 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 4185 K C 2.154 178.755 176.600 0.002 0.000 1.051 4185 K CA 1.187 57.474 56.287 0.002 0.000 0.949 4185 K CB -0.012 32.489 32.500 0.002 0.000 0.726 4185 K HN -0.088 nan 8.250 nan 0.000 0.443 4186 E N 0.336 120.538 120.200 0.002 0.000 2.060 4186 E HA -0.097 4.253 4.350 -0.001 0.000 0.189 4186 E C 1.594 178.195 176.600 0.002 0.000 0.974 4186 E CA 1.102 57.504 56.400 0.003 0.000 0.808 4186 E CB 0.516 30.218 29.700 0.003 0.000 0.768 4186 E HN 0.160 nan 8.360 nan 0.000 0.453 4187 V N -4.941 114.974 119.914 0.002 0.000 3.497 4187 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 4187 V C 1.389 177.485 176.094 0.003 0.000 1.474 4187 V CA 0.742 63.044 62.300 0.003 0.000 1.025 4187 V CB 0.494 32.318 31.823 0.003 0.000 0.820 4187 V HN 0.304 nan 8.190 nan 0.000 0.437 4188 G N 0.693 109.494 108.800 0.002 0.000 3.586 4188 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 4188 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 4188 G C 0.203 175.104 174.900 0.002 0.000 1.411 4188 G CA 0.499 45.600 45.100 0.003 0.000 0.898 4188 G HN 0.629 nan 8.290 nan 0.000 0.575 4189 D N 0.800 121.202 120.400 0.003 0.000 2.511 4189 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 4189 D C 1.519 177.818 176.300 -0.001 0.000 1.220 4189 D CA 1.156 55.157 54.000 0.002 0.000 1.077 4189 D CB 0.658 41.460 40.800 0.004 0.000 1.126 4189 D HN 1.595 nan 8.370 nan 0.000 0.583 4190 G N -0.628 108.170 108.800 -0.004 0.000 2.143 4190 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.249 4190 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.249 4190 G C 1.036 175.930 174.900 -0.011 0.000 0.981 4190 G CA 1.481 46.575 45.100 -0.008 0.000 0.665 4190 G HN 0.593 nan 8.290 nan 0.000 0.528 4191 T N -2.055 112.494 114.554 -0.009 0.000 2.588 4191 T HA -0.150 4.200 4.350 -0.001 0.000 0.261 4191 T C 2.202 176.893 174.700 -0.016 0.000 1.069 4191 T CA 2.622 64.717 62.100 -0.010 0.000 1.172 4191 T CB -1.011 67.853 68.868 -0.007 0.000 0.863 4191 T HN 0.342 nan 8.240 nan 0.000 0.408 4192 T N 1.848 116.392 114.554 -0.017 0.000 2.635 4192 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 4192 T C 2.275 176.956 174.700 -0.032 0.000 1.040 4192 T CA 2.090 64.175 62.100 -0.024 0.000 1.156 4192 T CB -1.242 67.612 68.868 -0.024 0.000 0.863 4192 T HN 0.567 nan 8.240 nan 0.000 0.430 4193 T N 1.999 116.534 114.554 -0.032 0.000 2.635 4193 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 4193 T C 2.345 177.015 174.700 -0.050 0.000 1.040 4193 T CA 1.529 63.604 62.100 -0.042 0.000 1.156 4193 T CB -0.699 68.148 68.868 -0.036 0.000 0.863 4193 T HN 0.473 nan 8.240 nan 0.000 0.430 4194 A N 0.661 123.458 122.820 -0.038 0.000 1.933 4194 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 4194 A C 2.601 180.160 177.584 -0.042 0.000 1.175 4194 A CA 1.439 53.454 52.037 -0.038 0.000 0.628 4194 A CB -0.905 18.083 19.000 -0.020 0.000 0.814 4194 A HN 0.378 nan 8.150 nan 0.000 0.444 4195 V N -0.507 119.386 119.914 -0.036 0.000 2.358 4195 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 4195 V C 2.548 178.613 176.094 -0.048 0.000 1.047 4195 V CA 1.833 64.113 62.300 -0.035 0.000 1.035 4195 V CB -0.734 31.073 31.823 -0.026 0.000 0.658 4195 V HN 0.362 nan 8.190 nan 0.000 0.452 4196 V N 0.850 120.731 119.914 -0.055 0.000 2.295 4196 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 4196 V C 2.581 178.622 176.094 -0.088 0.000 1.049 4196 V CA 2.186 64.447 62.300 -0.065 0.000 1.024 4196 V CB -0.541 31.244 31.823 -0.063 0.000 0.648 4196 V HN 0.564 nan 8.190 nan 0.000 0.447 4197 V N -0.955 118.893 119.914 -0.109 0.000 2.626 4197 V HA -0.064 4.056 4.120 -0.001 0.000 0.252 4197 V C 2.404 178.396 176.094 -0.170 0.000 1.067 4197 V CA 1.684 63.885 62.300 -0.165 0.000 1.081 4197 V CB -1.230 30.471 31.823 -0.203 0.000 0.686 4197 V HN 0.372 nan 8.190 nan 0.000 0.468 4198 A N 1.574 124.327 122.820 -0.111 0.000 1.873 4198 A HA 0.095 4.415 4.320 -0.001 0.000 0.215 4198 A C 2.396 179.943 177.584 -0.062 0.000 1.186 4198 A CA 1.857 53.849 52.037 -0.076 0.000 0.616 4198 A CB -1.483 17.493 19.000 -0.040 0.000 0.823 4198 A HN 0.670 nan 8.150 nan 0.000 0.442 4199 G N -0.742 108.021 108.800 -0.061 0.000 2.408 4199 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 4199 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 4199 G C 1.461 176.327 174.900 -0.057 0.000 1.150 4199 G CA 1.290 46.358 45.100 -0.052 0.000 0.776 4199 G HN 0.535 nan 8.290 nan 0.000 0.542 4200 E N 0.336 120.487 120.200 -0.082 0.000 2.072 4200 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 4200 E C 2.528 179.071 176.600 -0.094 0.000 0.985 4200 E CA 0.511 56.857 56.400 -0.091 0.000 0.801 4200 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 4200 E HN 0.418 nan 8.360 nan 0.000 0.452 4201 L N -0.081 121.058 121.223 -0.141 0.000 2.046 4201 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 4201 L C 2.424 179.328 176.870 0.056 0.000 1.077 4201 L CA 0.944 55.689 54.840 -0.158 0.000 0.747 4201 L CB -0.384 41.499 42.059 -0.293 0.000 0.896 4201 L HN 0.220 nan 8.230 nan 0.000 0.432 4202 L N -0.764 120.484 121.223 0.040 0.000 2.046 4202 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 4202 L C 2.825 179.719 176.870 0.041 0.000 1.077 4202 L CA 1.127 56.003 54.840 0.061 0.000 0.747 4202 L CB -0.517 41.549 42.059 0.013 0.000 0.896 4202 L HN 0.256 nan 8.230 nan 0.000 0.432 4203 R N 0.345 120.851 120.500 0.010 0.000 2.083 4203 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 4203 R C 2.286 178.603 176.300 0.029 0.000 1.137 4203 R CA 1.300 57.403 56.100 0.005 0.000 0.951 4203 R CB 0.053 30.344 30.300 -0.015 0.000 0.851 4203 R HN 0.148 nan 8.270 nan 0.000 0.434 4204 K N 0.225 120.655 120.400 0.050 0.000 2.148 4204 K HA -0.051 4.269 4.320 -0.001 0.000 0.204 4204 K C 1.945 178.625 176.600 0.134 0.000 1.050 4204 K CA 1.187 57.527 56.287 0.089 0.000 0.942 4204 K CB -0.329 32.232 32.500 0.102 0.000 0.724 4204 K HN 0.273 nan 8.250 nan 0.000 0.446 4205 A N 1.423 124.344 122.820 0.168 0.000 1.883 4205 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 4205 A C 2.198 179.806 177.584 0.040 0.000 1.186 4205 A CA 1.915 54.028 52.037 0.126 0.000 0.624 4205 A CB -0.465 18.616 19.000 0.135 0.000 0.822 4205 A HN 0.457 nan 8.150 nan 0.000 0.444 4206 E N -0.470 119.748 120.200 0.030 0.000 2.106 4206 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 4206 E C 2.003 178.608 176.600 0.008 0.000 0.984 4206 E CA 1.122 57.526 56.400 0.006 0.000 0.806 4206 E CB -0.149 29.552 29.700 0.001 0.000 0.750 4206 E HN 0.750 nan 8.360 nan 0.000 0.458 4207 E N -0.085 120.128 120.200 0.021 0.000 2.070 4207 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 4207 E C 1.910 178.522 176.600 0.019 0.000 1.004 4207 E CA 1.140 57.552 56.400 0.021 0.000 0.805 4207 E CB 0.050 29.768 29.700 0.030 0.000 0.744 4207 E HN 0.209 nan 8.360 nan 0.000 0.451 4208 L N 0.279 121.517 121.223 0.025 0.000 2.109 4208 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 4208 L C 2.262 179.128 176.870 -0.008 0.000 1.086 4208 L CA 0.964 55.813 54.840 0.015 0.000 0.760 4208 L CB -0.694 41.376 42.059 0.019 0.000 0.910 4208 L HN 0.234 nan 8.230 nan 0.000 0.437 4209 L N -0.654 120.557 121.223 -0.021 0.000 2.083 4209 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 4209 L C 2.120 178.972 176.870 -0.031 0.000 1.083 4209 L CA 1.648 56.462 54.840 -0.043 0.000 0.752 4209 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 4209 L HN 0.280 nan 8.230 nan 0.000 0.433 4210 D N -1.812 118.579 120.400 -0.015 0.000 2.249 4210 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 4210 D C 1.778 178.076 176.300 -0.003 0.000 0.962 4210 D CA 0.470 54.465 54.000 -0.009 0.000 0.860 4210 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 4210 D HN 0.192 nan 8.370 nan 0.000 0.505 4211 Q N 0.141 119.942 119.800 0.001 0.000 2.373 4211 Q HA 0.060 4.400 4.340 -0.001 0.000 0.206 4211 Q C 0.004 176.008 176.000 0.007 0.000 0.942 4211 Q CA 0.132 55.939 55.803 0.006 0.000 0.953 4211 Q CB 0.205 28.950 28.738 0.012 0.000 1.022 4211 Q HN 0.252 nan 8.270 nan 0.000 0.502 4212 N N -0.855 117.847 118.700 0.003 0.000 2.861 4212 N HA -0.139 4.601 4.740 -0.001 0.000 0.247 4212 N C -1.582 173.939 175.510 0.019 0.000 1.117 4212 N CA 0.262 53.318 53.050 0.010 0.000 0.703 4212 N CB -1.070 37.425 38.487 0.013 0.000 1.052 4212 N HN -0.046 nan 8.380 nan 0.000 0.555 4213 V N 1.822 121.742 119.914 0.010 0.000 2.334 4213 V HA 0.231 4.350 4.120 -0.001 0.000 0.281 4213 V C 0.621 176.727 176.094 0.019 0.000 1.016 4213 V CA -0.870 61.442 62.300 0.019 0.000 0.832 4213 V CB 1.247 33.072 31.823 0.004 0.000 0.999 4213 V HN 0.306 nan 8.190 nan 0.000 0.439 4214 H N 7.782 126.832 119.070 -0.033 0.000 2.928 4214 H HA 0.098 4.654 4.556 -0.000 0.000 0.338 4214 H C -1.731 173.565 175.328 -0.053 0.000 1.047 4214 H CA -1.271 54.756 56.048 -0.035 0.000 1.435 4214 H CB 1.947 31.692 29.762 -0.029 0.000 1.428 4214 H HN 0.351 nan 8.280 nan 0.000 0.590 4215 P HA -0.188 nan 4.420 nan 0.000 0.217 4215 P C 1.402 178.729 177.300 0.046 0.000 1.148 4215 P CA 2.464 65.503 63.100 -0.102 0.000 0.834 4215 P CB 0.018 31.609 31.700 -0.182 0.000 0.783 4216 T N -4.099 110.632 114.554 0.295 0.000 2.995 4216 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 4216 T C 1.624 176.347 174.700 0.039 0.000 1.091 4216 T CA 0.809 62.993 62.100 0.141 0.000 1.128 4216 T CB -0.941 67.987 68.868 0.099 0.000 0.891 4216 T HN -0.048 nan 8.240 nan 0.000 0.492 4217 I N 0.877 121.475 120.570 0.046 0.000 2.480 4217 I HA 0.042 4.212 4.170 -0.001 0.000 0.251 4217 I C 2.576 178.641 176.117 -0.088 0.000 1.124 4217 I CA 0.384 61.675 61.300 -0.016 0.000 1.444 4217 I CB -0.283 37.719 38.000 0.004 0.000 1.098 4217 I HN 0.072 nan 8.210 nan 0.000 0.428 4218 V N 0.724 120.552 119.914 -0.144 0.000 2.295 4218 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 4218 V C 2.561 178.323 176.094 -0.553 0.000 1.049 4218 V CA 2.041 64.119 62.300 -0.371 0.000 1.024 4218 V CB -0.768 30.842 31.823 -0.356 0.000 0.648 4218 V HN 0.439 nan 8.190 nan 0.000 0.447 4219 V N -0.706 119.038 119.914 -0.283 0.000 2.667 4219 V HA -0.143 3.976 4.120 -0.001 0.000 0.252 4219 V C 2.361 178.413 176.094 -0.069 0.000 1.065 4219 V CA 2.188 64.396 62.300 -0.153 0.000 1.083 4219 V CB -0.798 30.993 31.823 -0.053 0.000 0.692 4219 V HN 0.514 nan 8.190 nan 0.000 0.468 4220 K N 2.305 122.664 120.400 -0.069 0.000 2.031 4220 K HA 0.107 4.426 4.320 -0.001 0.000 0.205 4220 K C 2.122 178.714 176.600 -0.013 0.000 1.049 4220 K CA 2.009 58.279 56.287 -0.029 0.000 0.939 4220 K CB -1.264 31.220 32.500 -0.026 0.000 0.717 4220 K HN 0.426 nan 8.250 nan 0.000 0.438 4221 G N -0.714 108.070 108.800 -0.027 0.000 2.408 4221 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 4221 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 4221 G C 1.135 176.110 174.900 0.125 0.000 1.150 4221 G CA 0.718 45.850 45.100 0.054 0.000 0.776 4221 G HN 0.271 nan 8.290 nan 0.000 0.542 4222 Y N 0.342 120.590 120.300 -0.086 0.000 2.263 4222 Y HA -0.021 4.529 4.550 -0.001 0.000 0.292 4222 Y C 2.853 178.537 175.900 -0.359 0.000 1.130 4222 Y CA 0.917 58.891 58.100 -0.211 0.000 1.179 4222 Y CB -0.930 37.601 38.460 0.117 0.000 0.998 4222 Y HN 0.264 nan 8.280 nan 0.000 0.532 4223 Q N 0.421 120.228 119.800 0.012 0.000 2.083 4223 Q HA -0.047 4.293 4.340 -0.001 0.000 0.198 4223 Q C 2.361 178.303 176.000 -0.098 0.000 0.969 4223 Q CA 1.741 57.524 55.803 -0.032 0.000 0.838 4223 Q CB -0.455 28.287 28.738 0.007 0.000 0.900 4223 Q HN 0.318 nan 8.270 nan 0.000 0.436 4224 A N 0.268 123.055 122.820 -0.054 0.000 1.873 4224 A HA -0.010 4.310 4.320 -0.001 0.000 0.215 4224 A C 2.277 179.817 177.584 -0.072 0.000 1.186 4224 A CA 1.852 53.903 52.037 0.024 0.000 0.616 4224 A CB -1.161 17.930 19.000 0.151 0.000 0.823 4224 A HN 0.500 nan 8.150 nan 0.000 0.442 4225 A N -0.297 122.390 122.820 -0.221 0.000 1.930 4225 A HA 0.224 4.544 4.320 -0.001 0.000 0.217 4225 A C 2.452 179.689 177.584 -0.579 0.000 1.175 4225 A CA 1.887 53.657 52.037 -0.445 0.000 0.627 4225 A CB -0.863 17.762 19.000 -0.625 0.000 0.815 4225 A HN 0.996 nan 8.150 nan 0.000 0.443 4226 A N -1.155 121.254 122.820 -0.684 0.000 1.930 4226 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 4226 A C 2.111 179.603 177.584 -0.153 0.000 1.175 4226 A CA 1.493 53.367 52.037 -0.272 0.000 0.627 4226 A CB -0.392 18.524 19.000 -0.140 0.000 0.815 4226 A HN 0.465 nan 8.150 nan 0.000 0.443 4227 Q N -0.309 119.387 119.800 -0.172 0.000 2.119 4227 Q HA -0.167 4.172 4.340 -0.001 0.000 0.201 4227 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 4227 Q CA 1.846 57.573 55.803 -0.127 0.000 0.847 4227 Q CB -0.337 28.348 28.738 -0.087 0.000 0.903 4227 Q HN 0.632 nan 8.270 nan 0.000 0.433 4228 K N 0.910 121.112 120.400 -0.330 0.000 2.148 4228 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 4228 K C 1.821 178.268 176.600 -0.255 0.000 1.050 4228 K CA 1.149 57.171 56.287 -0.441 0.000 0.942 4228 K CB -0.362 31.491 32.500 -1.079 0.000 0.724 4228 K HN 0.125 nan 8.250 nan 0.000 0.446 4229 A N 0.532 123.241 122.820 -0.184 0.000 1.933 4229 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 4229 A C 2.035 179.596 177.584 -0.039 0.000 1.175 4229 A CA 1.578 53.581 52.037 -0.058 0.000 0.628 4229 A CB -0.483 18.546 19.000 0.049 0.000 0.814 4229 A HN 0.496 nan 8.150 nan 0.000 0.444 4230 Q N -0.875 118.894 119.800 -0.051 0.000 2.084 4230 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 4230 Q C 2.140 178.118 176.000 -0.035 0.000 0.978 4230 Q CA 1.636 57.419 55.803 -0.033 0.000 0.844 4230 Q CB -0.160 28.559 28.738 -0.033 0.000 0.898 4230 Q HN 0.863 nan 8.270 nan 0.000 0.426 4231 E N 0.768 120.935 120.200 -0.057 0.000 2.072 4231 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 4231 E C 1.988 178.567 176.600 -0.035 0.000 0.985 4231 E CA 0.636 57.008 56.400 -0.047 0.000 0.801 4231 E CB 0.001 29.663 29.700 -0.063 0.000 0.750 4231 E HN 0.295 nan 8.360 nan 0.000 0.452 4232 L N 0.601 121.797 121.223 -0.045 0.000 2.042 4232 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 4232 L C 2.566 179.434 176.870 -0.002 0.000 1.076 4232 L CA 0.922 55.749 54.840 -0.021 0.000 0.749 4232 L CB -0.327 41.717 42.059 -0.024 0.000 0.893 4232 L HN 0.266 nan 8.230 nan 0.000 0.432 4233 L N -0.797 120.424 121.223 -0.005 0.000 2.109 4233 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 4233 L C 2.611 179.483 176.870 0.004 0.000 1.086 4233 L CA 0.784 55.627 54.840 0.004 0.000 0.760 4233 L CB -0.429 41.632 42.059 0.004 0.000 0.910 4233 L HN 0.164 nan 8.230 nan 0.000 0.437 4234 K N -0.150 120.249 120.400 -0.003 0.000 2.211 4234 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 4234 K C 2.071 178.671 176.600 0.001 0.000 1.050 4234 K CA 1.771 58.056 56.287 -0.002 0.000 0.945 4234 K CB -0.355 32.142 32.500 -0.006 0.000 0.732 4234 K HN 0.466 nan 8.250 nan 0.000 0.451 4235 T N -1.888 112.666 114.554 0.001 0.000 3.040 4235 T HA 0.062 4.412 4.350 -0.001 0.000 0.252 4235 T C 1.831 176.537 174.700 0.009 0.000 1.064 4235 T CA -0.016 62.086 62.100 0.004 0.000 1.110 4235 T CB -0.006 68.863 68.868 0.002 0.000 0.921 4235 T HN -0.063 nan 8.240 nan 0.000 0.480 4236 I N 2.134 122.713 120.570 0.015 0.000 2.876 4236 I HA 0.442 4.612 4.170 -0.001 0.000 0.264 4236 I C 1.402 177.532 176.117 0.022 0.000 1.204 4236 I CA -0.625 60.690 61.300 0.025 0.000 1.485 4236 I CB -0.616 37.410 38.000 0.043 0.000 1.103 4236 I HN 0.347 nan 8.210 nan 0.000 0.446 4237 A N 0.037 122.866 122.820 0.016 0.000 2.531 4237 A HA 0.097 4.417 4.320 -0.001 0.000 0.236 4237 A C 0.088 177.679 177.584 0.011 0.000 1.062 4237 A CA 0.044 52.089 52.037 0.013 0.000 0.760 4237 A CB -0.468 18.537 19.000 0.009 0.000 0.995 4237 A HN 0.432 nan 8.150 nan 0.000 0.501 4238 C N 3.128 122.435 119.300 0.011 0.000 2.264 4238 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 4238 C C 0.365 175.359 174.990 0.006 0.000 1.267 4238 C CA -0.579 58.444 59.018 0.008 0.000 1.618 4238 C CB -0.511 27.235 27.740 0.010 0.000 2.278 4238 C HN 0.932 nan 8.230 nan 0.000 0.499 4239 E N 1.336 121.539 120.200 0.004 0.000 2.414 4239 E HA 0.358 4.708 4.350 -0.001 0.000 0.263 4239 E C -0.137 176.465 176.600 0.003 0.000 1.000 4239 E CA 0.404 56.806 56.400 0.003 0.000 0.914 4239 E CB 0.521 30.223 29.700 0.002 0.000 0.948 4239 E HN 0.497 nan 8.360 nan 0.000 0.444 4240 V N 2.145 122.061 119.914 0.003 0.000 3.087 4240 V HA 0.628 4.747 4.120 -0.001 0.000 0.306 4240 V C -0.187 175.909 176.094 0.002 0.000 1.187 4240 V CA -0.589 61.713 62.300 0.003 0.000 0.999 4240 V CB 2.255 34.080 31.823 0.003 0.000 1.049 4240 V HN 0.752 nan 8.190 nan 0.000 0.431 4241 G N 3.159 111.960 108.800 0.002 0.000 2.254 4241 G HA2 0.402 4.362 3.960 -0.001 0.000 0.253 4241 G HA3 0.402 4.362 3.960 -0.001 0.000 0.253 4241 G C 1.028 175.929 174.900 0.002 0.000 1.246 4241 G CA 0.382 45.483 45.100 0.002 0.000 0.946 4241 G HN 1.560 nan 8.290 nan 0.000 0.474 4242 A N 2.635 125.456 122.820 0.002 0.000 1.933 4242 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 4242 A C 2.052 179.638 177.584 0.003 0.000 1.175 4242 A CA 1.214 53.253 52.037 0.002 0.000 0.628 4242 A CB -0.023 18.978 19.000 0.002 0.000 0.814 4242 A HN 0.577 nan 8.150 nan 0.000 0.444 4243 Q N -0.208 119.594 119.800 0.003 0.000 2.198 4243 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 4243 Q C -0.744 175.257 176.000 0.003 0.000 0.848 4243 Q CA -0.123 55.681 55.803 0.003 0.000 0.974 4243 Q CB 0.063 28.803 28.738 0.003 0.000 1.115 4243 Q HN 0.745 nan 8.270 nan 0.000 0.494 4244 D N 1.075 121.476 120.400 0.002 0.000 2.412 4244 D HA -0.049 4.591 4.640 -0.001 0.000 0.257 4244 D C 1.234 177.535 176.300 0.001 0.000 1.217 4244 D CA 0.159 54.160 54.000 0.001 0.000 0.897 4244 D CB 0.916 41.717 40.800 0.001 0.000 1.132 4244 D HN -0.220 nan 8.370 nan 0.000 0.493 4245 K N 2.996 123.397 120.400 0.001 0.000 2.077 4245 K HA -0.257 4.062 4.320 -0.001 0.000 0.213 4245 K C 1.448 178.048 176.600 -0.001 0.000 1.051 4245 K CA 1.688 57.975 56.287 0.000 0.000 0.929 4245 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 4245 K HN 0.492 nan 8.250 nan 0.000 0.451 4246 E N 0.050 120.249 120.200 -0.002 0.000 2.017 4246 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 4246 E C 2.113 178.712 176.600 -0.003 0.000 0.997 4246 E CA 1.401 57.798 56.400 -0.004 0.000 0.804 4246 E CB -0.469 29.229 29.700 -0.004 0.000 0.757 4246 E HN 0.343 nan 8.360 nan 0.000 0.448 4247 I N 1.214 121.783 120.570 -0.001 0.000 2.335 4247 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 4247 I C 2.247 178.364 176.117 0.001 0.000 1.129 4247 I CA 0.939 62.239 61.300 -0.000 0.000 1.402 4247 I CB -0.164 37.837 38.000 0.001 0.000 1.069 4247 I HN 0.035 nan 8.210 nan 0.000 0.424 4248 L N -0.418 120.806 121.223 0.001 0.000 2.056 4248 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 4248 L C 2.496 179.366 176.870 0.001 0.000 1.078 4248 L CA 1.857 56.698 54.840 0.002 0.000 0.749 4248 L CB -1.173 40.888 42.059 0.002 0.000 0.901 4248 L HN 0.405 nan 8.230 nan 0.000 0.433 4249 T N -3.741 110.812 114.554 -0.001 0.000 2.985 4249 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 4249 T C 1.862 176.559 174.700 -0.005 0.000 1.076 4249 T CA 0.575 62.673 62.100 -0.003 0.000 1.135 4249 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 4249 T HN 0.005 nan 8.240 nan 0.000 0.480 4250 K N 0.797 121.193 120.400 -0.005 0.000 2.062 4250 K HA 0.248 4.568 4.320 -0.001 0.000 0.205 4250 K C 2.127 178.726 176.600 -0.001 0.000 1.051 4250 K CA 0.594 56.877 56.287 -0.007 0.000 0.941 4250 K CB -0.429 32.067 32.500 -0.006 0.000 0.719 4250 K HN 0.266 nan 8.250 nan 0.000 0.440 4251 I N 0.740 121.311 120.570 0.002 0.000 2.179 4251 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 4251 I C 2.162 178.284 176.117 0.007 0.000 1.088 4251 I CA 1.436 62.740 61.300 0.006 0.000 1.357 4251 I CB -1.336 36.668 38.000 0.006 0.000 1.051 4251 I HN 0.090 nan 8.210 nan 0.000 0.409 4252 A N 0.818 123.641 122.820 0.005 0.000 1.873 4252 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 4252 A C 2.410 179.998 177.584 0.007 0.000 1.193 4252 A CA 2.002 54.043 52.037 0.006 0.000 0.629 4252 A CB -0.638 18.364 19.000 0.004 0.000 0.826 4252 A HN 0.355 nan 8.150 nan 0.000 0.447 4253 M N -0.311 119.291 119.600 0.003 0.000 2.132 4253 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 4253 M C 2.428 178.735 176.300 0.012 0.000 1.065 4253 M CA 2.019 57.319 55.300 0.000 0.000 1.122 4253 M CB -0.747 31.843 32.600 -0.016 0.000 1.365 4253 M HN 0.725 nan 8.290 nan 0.000 0.411 4254 T N -2.713 111.850 114.554 0.015 0.000 2.867 4254 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 4254 T C 1.888 176.613 174.700 0.042 0.000 1.057 4254 T CA 1.631 63.752 62.100 0.035 0.000 1.136 4254 T CB -0.458 68.429 68.868 0.031 0.000 0.874 4254 T HN 0.298 nan 8.240 nan 0.000 0.466 4255 S N 0.924 116.640 115.700 0.028 0.000 2.368 4255 S HA 0.049 4.519 4.470 -0.001 0.000 0.224 4255 S C 2.002 176.619 174.600 0.029 0.000 1.029 4255 S CA 0.727 58.942 58.200 0.025 0.000 0.988 4255 S CB -0.617 62.593 63.200 0.017 0.000 0.838 4255 S HN 0.589 nan 8.310 nan 0.000 0.462 4256 I N 1.760 122.348 120.570 0.029 0.000 2.361 4256 I HA -0.100 4.069 4.170 -0.001 0.000 0.251 4256 I C 1.275 177.420 176.117 0.047 0.000 1.133 4256 I CA 0.894 62.212 61.300 0.031 0.000 1.413 4256 I CB -0.906 37.108 38.000 0.024 0.000 1.073 4256 I HN 0.429 nan 8.210 nan 0.000 0.424 4257 T N -0.588 114.008 114.554 0.069 0.000 2.932 4257 T HA 0.321 4.671 4.350 -0.001 0.000 0.312 4257 T C 1.160 175.918 174.700 0.097 0.000 1.071 4257 T CA 0.101 62.273 62.100 0.121 0.000 1.128 4257 T CB 1.288 70.282 68.868 0.209 0.000 0.984 4257 T HN 0.603 nan 8.240 nan 0.000 0.549 4258 G N 1.508 110.366 108.800 0.097 0.000 2.176 4258 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 4258 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 4258 G C -0.068 174.848 174.900 0.028 0.000 0.979 4258 G CA 0.392 45.515 45.100 0.037 0.000 0.641 4258 G HN 0.943 nan 8.290 nan 0.000 0.530 4259 K N -0.940 119.484 120.400 0.040 0.000 2.350 4259 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 4259 K C 1.494 178.115 176.600 0.035 0.000 0.994 4259 K CA -0.520 55.785 56.287 0.030 0.000 0.839 4259 K CB 1.435 33.951 32.500 0.027 0.000 1.244 4259 K HN 0.160 nan 8.250 nan 0.000 0.443 4260 G N 0.376 109.193 108.800 0.028 0.000 2.422 4260 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 4260 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 4260 G C 1.290 176.208 174.900 0.030 0.000 1.140 4260 G CA 0.985 46.102 45.100 0.029 0.000 0.775 4260 G HN 0.616 nan 8.290 nan 0.000 0.545 4261 A N 1.690 124.527 122.820 0.028 0.000 2.125 4261 A HA -0.029 4.291 4.320 -0.001 0.000 0.219 4261 A C 2.131 179.730 177.584 0.025 0.000 1.156 4261 A CA 1.762 53.815 52.037 0.025 0.000 0.671 4261 A CB -0.438 18.576 19.000 0.023 0.000 0.794 4261 A HN 0.662 nan 8.150 nan 0.000 0.459 4262 E N 1.233 121.453 120.200 0.033 0.000 2.331 4262 E HA -0.293 4.056 4.350 -0.001 0.000 0.199 4262 E C 1.613 178.227 176.600 0.022 0.000 1.008 4262 E CA 1.366 57.786 56.400 0.033 0.000 0.843 4262 E CB -0.546 29.190 29.700 0.060 0.000 0.761 4262 E HN 0.820 nan 8.360 nan 0.000 0.507 4263 K N 0.858 121.272 120.400 0.024 0.000 2.211 4263 K HA -0.072 4.247 4.320 -0.001 0.000 0.204 4263 K C 1.501 178.106 176.600 0.008 0.000 1.047 4263 K CA 1.490 57.786 56.287 0.016 0.000 0.935 4263 K CB -0.005 32.507 32.500 0.019 0.000 0.728 4263 K HN 0.160 nan 8.250 nan 0.000 0.452 4264 A N 1.770 124.595 122.820 0.009 0.000 2.616 4264 A HA 0.145 4.464 4.320 -0.001 0.000 0.294 4264 A C 1.303 178.889 177.584 0.003 0.000 1.091 4264 A CA -0.563 51.477 52.037 0.005 0.000 0.971 4264 A CB -0.054 18.951 19.000 0.008 0.000 1.222 4264 A HN 0.415 nan 8.150 nan 0.000 0.521 4265 K N 0.162 120.563 120.400 0.002 0.000 2.286 4265 K HA -0.210 4.109 4.320 -0.001 0.000 0.203 4265 K C 0.863 177.459 176.600 -0.005 0.000 1.045 4265 K CA 1.927 58.214 56.287 -0.000 0.000 0.935 4265 K CB -0.101 32.396 32.500 -0.004 0.000 0.737 4265 K HN 0.333 nan 8.250 nan 0.000 0.460 4266 E N 1.488 121.683 120.200 -0.009 0.000 2.046 4266 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 4266 E C 1.913 178.510 176.600 -0.004 0.000 0.982 4266 E CA 1.297 57.691 56.400 -0.010 0.000 0.800 4266 E CB -0.072 29.620 29.700 -0.013 0.000 0.756 4266 E HN 0.257 nan 8.360 nan 0.000 0.449 4267 K N 0.335 120.734 120.400 -0.001 0.000 2.097 4267 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 4267 K C 1.636 178.239 176.600 0.005 0.000 1.050 4267 K CA 0.809 57.097 56.287 0.002 0.000 0.938 4267 K CB -0.251 32.251 32.500 0.004 0.000 0.718 4267 K HN 0.005 nan 8.250 nan 0.000 0.442 4268 L N 0.411 121.637 121.223 0.005 0.000 2.093 4268 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 4268 L C 2.276 179.149 176.870 0.006 0.000 1.085 4268 L CA 1.893 56.737 54.840 0.007 0.000 0.755 4268 L CB -1.150 40.914 42.059 0.009 0.000 0.904 4268 L HN 0.269 nan 8.230 nan 0.000 0.435 4269 A N -0.798 122.024 122.820 0.003 0.000 1.898 4269 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 4269 A C 2.314 179.900 177.584 0.002 0.000 1.181 4269 A CA 1.632 53.670 52.037 0.002 0.000 0.620 4269 A CB -0.497 18.502 19.000 -0.002 0.000 0.819 4269 A HN 0.380 nan 8.150 nan 0.000 0.442 4270 E N 0.330 120.531 120.200 0.002 0.000 2.058 4270 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 4270 E C 1.697 178.300 176.600 0.006 0.000 0.997 4270 E CA 1.596 57.997 56.400 0.003 0.000 0.801 4270 E CB -0.389 29.313 29.700 0.002 0.000 0.746 4270 E HN 0.639 nan 8.360 nan 0.000 0.450 4271 I N -0.329 120.246 120.570 0.007 0.000 2.179 4271 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 4271 I C 1.932 178.055 176.117 0.009 0.000 1.088 4271 I CA 0.759 62.066 61.300 0.010 0.000 1.357 4271 I CB -0.153 37.854 38.000 0.012 0.000 1.051 4271 I HN 0.161 nan 8.210 nan 0.000 0.409 4272 I N -0.363 120.212 120.570 0.008 0.000 2.406 4272 I HA -0.163 4.006 4.170 -0.001 0.000 0.249 4272 I C 2.296 178.416 176.117 0.006 0.000 1.122 4272 I CA 1.068 62.373 61.300 0.007 0.000 1.431 4272 I CB -0.287 37.717 38.000 0.006 0.000 1.087 4272 I HN -0.063 nan 8.210 nan 0.000 0.424 4273 V N 0.230 120.148 119.914 0.006 0.000 2.358 4273 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 4273 V C 2.511 178.609 176.094 0.006 0.000 1.047 4273 V CA 1.916 64.219 62.300 0.005 0.000 1.035 4273 V CB -0.547 31.278 31.823 0.004 0.000 0.658 4273 V HN 0.403 nan 8.190 nan 0.000 0.452 4274 E N 0.848 121.052 120.200 0.007 0.000 2.077 4274 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 4274 E C 2.134 178.740 176.600 0.010 0.000 0.989 4274 E CA 1.682 58.088 56.400 0.009 0.000 0.800 4274 E CB -0.493 29.213 29.700 0.010 0.000 0.746 4274 E HN 0.492 nan 8.360 nan 0.000 0.452 4275 A N 0.031 122.857 122.820 0.010 0.000 1.902 4275 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 4275 A C 2.505 180.094 177.584 0.008 0.000 1.181 4275 A CA 1.731 53.774 52.037 0.009 0.000 0.623 4275 A CB -0.786 18.219 19.000 0.008 0.000 0.818 4275 A HN 0.205 nan 8.150 nan 0.000 0.443 4276 V N -0.329 119.589 119.914 0.007 0.000 2.307 4276 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 4276 V C 2.763 178.861 176.094 0.007 0.000 1.045 4276 V CA 2.243 64.546 62.300 0.006 0.000 1.024 4276 V CB -0.852 30.974 31.823 0.005 0.000 0.651 4276 V HN 0.546 nan 8.190 nan 0.000 0.449 4277 S N 0.188 115.893 115.700 0.008 0.000 2.387 4277 S HA -0.218 4.251 4.470 -0.001 0.000 0.230 4277 S C 2.168 176.775 174.600 0.011 0.000 1.035 4277 S CA 1.509 59.714 58.200 0.009 0.000 1.014 4277 S CB -0.471 62.734 63.200 0.009 0.000 0.836 4277 S HN 0.659 nan 8.310 nan 0.000 0.466 4278 A N 1.112 123.940 122.820 0.013 0.000 1.855 4278 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 4278 A C 2.401 179.995 177.584 0.016 0.000 1.191 4278 A CA 1.756 53.804 52.037 0.018 0.000 0.613 4278 A CB -0.819 18.192 19.000 0.019 0.000 0.829 4278 A HN 0.579 nan 8.150 nan 0.000 0.442 4279 V N -3.211 116.710 119.914 0.011 0.000 3.052 4279 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 4279 V C 2.033 178.131 176.094 0.006 0.000 1.100 4279 V CA 1.365 63.670 62.300 0.009 0.000 1.112 4279 V CB -0.365 31.461 31.823 0.005 0.000 0.738 4279 V HN 0.194 nan 8.190 nan 0.000 0.469 4280 V N 0.551 120.468 119.914 0.006 0.000 2.809 4280 V HA -0.058 4.061 4.120 -0.001 0.000 0.256 4280 V C 1.571 177.666 176.094 0.003 0.000 1.080 4280 V CA 2.288 64.590 62.300 0.004 0.000 1.102 4280 V CB -0.538 31.287 31.823 0.004 0.000 0.705 4280 V HN 0.841 nan 8.190 nan 0.000 0.475 4281 D N -0.647 119.756 120.400 0.004 0.000 4.438 4281 D HA -0.219 4.421 4.640 -0.001 0.000 0.158 4281 D C 0.632 176.933 176.300 0.001 0.000 0.686 4281 D CA 1.928 55.930 54.000 0.002 0.000 1.183 4281 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 4281 D HN 0.557 nan 8.370 nan 0.000 0.521 4282 D N 1.020 121.420 120.400 -0.001 0.000 2.393 4282 D HA 0.288 4.928 4.640 -0.001 0.000 0.246 4282 D C -0.156 176.144 176.300 0.000 0.000 1.275 4282 D CA 0.228 54.228 54.000 -0.001 0.000 0.979 4282 D CB 0.402 41.200 40.800 -0.003 0.000 1.101 4282 D HN 0.154 nan 8.370 nan 0.000 0.505 4283 E N -0.604 119.596 120.200 0.000 0.000 2.731 4283 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 4283 E C -0.181 176.419 176.600 0.000 0.000 1.087 4283 E CA -0.503 55.897 56.400 0.001 0.000 1.020 4283 E CB 0.856 30.557 29.700 0.001 0.000 1.339 4283 E HN 0.502 nan 8.360 nan 0.000 0.444 4284 G N 0.589 109.389 108.800 0.000 0.000 2.328 4284 G HA2 0.353 4.313 3.960 -0.001 0.000 0.299 4284 G HA3 0.353 4.313 3.960 -0.001 0.000 0.299 4284 G C -1.738 173.162 174.900 0.000 0.000 1.435 4284 G CA -0.926 44.174 45.100 0.000 0.000 0.865 4284 G HN 0.025 nan 8.290 nan 0.000 0.601 4285 K N 0.302 120.702 120.400 0.000 0.000 2.581 4285 K HA 0.586 4.906 4.320 -0.001 0.000 0.249 4285 K C -1.663 174.937 176.600 0.000 0.000 0.966 4285 K CA -0.581 55.706 56.287 0.000 0.000 0.811 4285 K CB 2.059 34.558 32.500 -0.001 0.000 1.223 4285 K HN 0.880 nan 8.250 nan 0.000 0.438 4286 V N 3.031 122.946 119.914 0.001 0.000 2.547 4286 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 4286 V C -1.121 174.972 176.094 -0.000 0.000 1.040 4286 V CA -0.515 61.785 62.300 0.001 0.000 0.913 4286 V CB 1.694 33.517 31.823 0.001 0.000 0.992 4286 V HN 0.779 nan 8.190 nan 0.000 0.449 4287 D N 4.539 124.938 120.400 -0.001 0.000 2.441 4287 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 4287 D C 0.787 177.085 176.300 -0.003 0.000 1.073 4287 D CA -0.306 53.692 54.000 -0.002 0.000 0.850 4287 D CB 1.679 42.477 40.800 -0.003 0.000 1.062 4287 D HN 0.553 nan 8.370 nan 0.000 0.524 4288 K N 2.043 122.441 120.400 -0.003 0.000 2.280 4288 K HA -0.152 4.168 4.320 -0.001 0.000 0.202 4288 K C 0.882 177.478 176.600 -0.007 0.000 1.047 4288 K CA 0.824 57.109 56.287 -0.004 0.000 0.942 4288 K CB 0.248 32.747 32.500 -0.003 0.000 0.739 4288 K HN 0.355 nan 8.250 nan 0.000 0.457 4289 D N 0.764 121.160 120.400 -0.008 0.000 2.310 4289 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 4289 D C 1.343 177.634 176.300 -0.015 0.000 0.965 4289 D CA 0.628 54.620 54.000 -0.012 0.000 0.879 4289 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 4289 D HN 0.104 nan 8.370 nan 0.000 0.510 4290 L N -0.185 121.031 121.223 -0.011 0.000 2.492 4290 L HA 0.157 4.497 4.340 -0.001 0.000 0.223 4290 L C 0.354 177.217 176.870 -0.011 0.000 1.132 4290 L CA 0.247 55.080 54.840 -0.011 0.000 0.850 4290 L CB 0.133 42.189 42.059 -0.005 0.000 0.966 4290 L HN 0.019 nan 8.230 nan 0.000 0.454 4291 I N 0.568 121.132 120.570 -0.010 0.000 2.390 4291 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 4291 I C -0.088 176.020 176.117 -0.015 0.000 1.016 4291 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 4291 I CB 1.405 39.402 38.000 -0.004 0.000 1.293 4291 I HN -0.148 nan 8.210 nan 0.000 0.458 4292 K N 7.269 127.656 120.400 -0.021 0.000 2.172 4292 K HA 0.452 4.771 4.320 -0.001 0.000 0.276 4292 K C -0.786 175.801 176.600 -0.023 0.000 1.013 4292 K CA -0.239 56.031 56.287 -0.028 0.000 0.913 4292 K CB 0.775 33.248 32.500 -0.045 0.000 1.055 4292 K HN 0.396 nan 8.250 nan 0.000 0.461 4293 I N 3.932 124.489 120.570 -0.021 0.000 2.347 4293 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 4293 I C -0.160 175.944 176.117 -0.022 0.000 1.058 4293 I CA -0.679 60.612 61.300 -0.015 0.000 1.202 4293 I CB 0.345 38.340 38.000 -0.009 0.000 1.386 4293 I HN 0.684 nan 8.210 nan 0.000 0.475 4294 E N 6.976 127.160 120.200 -0.026 0.000 2.214 4294 E HA 0.612 4.962 4.350 -0.001 0.000 0.274 4294 E C -0.784 175.805 176.600 -0.018 0.000 0.977 4294 E CA -0.595 55.785 56.400 -0.034 0.000 0.827 4294 E CB 1.405 31.070 29.700 -0.059 0.000 1.130 4294 E HN 0.563 nan 8.360 nan 0.000 0.394 4295 K N 1.625 122.013 120.400 -0.019 0.000 2.498 4295 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 4295 K C -1.333 175.260 176.600 -0.012 0.000 0.933 4295 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 4295 K CB 1.818 34.312 32.500 -0.011 0.000 1.301 4295 K HN 0.197 nan 8.250 nan 0.000 0.432 4296 K N 1.347 121.746 120.400 -0.001 0.000 2.581 4296 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 4296 K C -1.284 175.318 176.600 0.003 0.000 0.966 4296 K CA -0.339 55.949 56.287 0.001 0.000 0.811 4296 K CB 2.181 34.690 32.500 0.015 0.000 1.223 4296 K HN 0.711 nan 8.250 nan 0.000 0.438 4297 S N 2.579 118.275 115.700 -0.007 0.000 2.568 4297 S HA 0.602 5.072 4.470 -0.001 0.000 0.282 4297 S C 0.135 174.738 174.600 0.004 0.000 1.338 4297 S CA 1.337 59.533 58.200 -0.006 0.000 1.045 4297 S CB -0.221 62.968 63.200 -0.018 0.000 0.873 4297 S HN 1.207 nan 8.310 nan 0.000 0.516 4298 G N 1.787 110.592 108.800 0.007 0.000 2.428 4298 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 4298 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 4298 G C -0.098 174.810 174.900 0.014 0.000 1.340 4298 G CA -0.039 45.067 45.100 0.011 0.000 0.915 4298 G HN 2.157 nan 8.290 nan 0.000 0.645 4299 A N -0.815 122.012 122.820 0.013 0.000 6.088 4299 A HA 0.395 4.714 4.320 -0.001 0.000 0.261 4299 A C 1.092 178.683 177.584 0.012 0.000 2.138 4299 A CA 1.914 53.958 52.037 0.012 0.000 0.708 4299 A CB -1.632 17.377 19.000 0.015 0.000 1.068 4299 A HN 2.716 nan 8.150 nan 0.000 0.364 4300 S N -2.558 113.150 115.700 0.012 0.000 2.745 4300 S HA 0.692 5.161 4.470 -0.001 0.000 0.306 4300 S C 1.123 175.732 174.600 0.014 0.000 1.137 4300 S CA 0.144 58.351 58.200 0.012 0.000 0.900 4300 S CB 1.369 64.575 63.200 0.010 0.000 1.176 4300 S HN 1.652 nan 8.310 nan 0.000 0.520 4301 I N 1.116 121.695 120.570 0.014 0.000 2.493 4301 I HA -0.086 4.084 4.170 -0.001 0.000 0.254 4301 I C 1.577 177.702 176.117 0.013 0.000 1.160 4301 I CA 1.599 62.908 61.300 0.014 0.000 1.445 4301 I CB -0.101 37.908 38.000 0.015 0.000 1.086 4301 I HN 0.795 nan 8.210 nan 0.000 0.433 4302 D N 0.757 121.163 120.400 0.011 0.000 2.264 4302 D HA -0.203 4.436 4.640 -0.001 0.000 0.208 4302 D C 1.595 177.900 176.300 0.009 0.000 0.966 4302 D CA 1.120 55.125 54.000 0.008 0.000 0.864 4302 D CB 0.022 40.826 40.800 0.006 0.000 0.933 4302 D HN 0.358 nan 8.370 nan 0.000 0.499 4303 D N -0.460 119.946 120.400 0.011 0.000 2.347 4303 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 4303 D C 0.235 176.548 176.300 0.020 0.000 0.985 4303 D CA 0.385 54.393 54.000 0.013 0.000 0.879 4303 D CB -0.128 40.680 40.800 0.014 0.000 0.919 4303 D HN 0.149 nan 8.370 nan 0.000 0.526 4304 T N 1.563 116.130 114.554 0.021 0.000 2.933 4304 T HA 0.106 4.455 4.350 -0.001 0.000 0.306 4304 T C 0.291 175.007 174.700 0.027 0.000 1.045 4304 T CA 0.676 62.792 62.100 0.026 0.000 1.143 4304 T CB 1.037 69.917 68.868 0.021 0.000 1.003 4304 T HN 0.013 nan 8.240 nan 0.000 0.540 4305 E N 1.477 121.700 120.200 0.038 0.000 2.390 4305 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 4305 E C -1.884 174.747 176.600 0.051 0.000 0.992 4305 E CA -0.813 55.610 56.400 0.038 0.000 0.790 4305 E CB 1.075 30.796 29.700 0.035 0.000 1.248 4305 E HN 0.356 nan 8.360 nan 0.000 0.447 4306 L N 3.340 124.588 121.223 0.042 0.000 2.312 4306 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 4306 L C -1.079 175.827 176.870 0.061 0.000 1.070 4306 L CA -0.183 54.683 54.840 0.043 0.000 0.805 4306 L CB 0.793 42.869 42.059 0.028 0.000 1.174 4306 L HN 0.570 nan 8.230 nan 0.000 0.434 4307 I N 5.456 126.072 120.570 0.076 0.000 2.382 4307 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 4307 I C -0.057 176.099 176.117 0.064 0.000 1.007 4307 I CA -0.460 60.901 61.300 0.102 0.000 1.142 4307 I CB 1.151 39.266 38.000 0.192 0.000 1.289 4307 I HN 0.326 nan 8.210 nan 0.000 0.453 4308 K N 5.778 126.209 120.400 0.051 0.000 2.081 4308 K HA 0.485 4.804 4.320 -0.001 0.000 0.230 4308 K C 0.456 177.077 176.600 0.035 0.000 1.199 4308 K CA -0.005 56.303 56.287 0.034 0.000 1.130 4308 K CB -0.283 32.231 32.500 0.024 0.000 1.386 4308 K HN 0.979 nan 8.250 nan 0.000 0.280 4309 G N -0.661 108.157 108.800 0.029 0.000 2.398 4309 G HA2 0.023 3.983 3.960 -0.001 0.000 0.251 4309 G HA3 0.023 3.983 3.960 -0.001 0.000 0.251 4309 G C -1.606 173.289 174.900 -0.008 0.000 1.277 4309 G CA -0.805 44.305 45.100 0.016 0.000 0.927 4309 G HN 0.085 nan 8.290 nan 0.000 0.477 4310 V N 0.754 120.647 119.914 -0.034 0.000 2.495 4310 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 4310 V C -0.648 175.360 176.094 -0.142 0.000 1.031 4310 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 4310 V CB 1.409 33.151 31.823 -0.136 0.000 0.988 4310 V HN 0.910 nan 8.190 nan 0.000 0.432 4311 L N 7.462 128.563 121.223 -0.204 0.000 2.305 4311 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 4311 L C -0.383 176.316 176.870 -0.286 0.000 1.013 4311 L CA -0.152 54.465 54.840 -0.373 0.000 0.819 4311 L CB 1.691 43.434 42.059 -0.527 0.000 1.227 4311 L HN 0.577 nan 8.230 nan 0.000 0.417 4312 V N 1.573 121.325 119.914 -0.270 0.000 2.769 4312 V HA 0.635 4.755 4.120 -0.001 0.000 0.312 4312 V C -0.493 175.520 176.094 -0.136 0.000 1.061 4312 V CA -0.523 61.673 62.300 -0.174 0.000 0.931 4312 V CB 1.835 33.572 31.823 -0.143 0.000 1.010 4312 V HN 0.822 nan 8.190 nan 0.000 0.433 4313 D N 1.128 121.475 120.400 -0.088 0.000 3.134 4313 D HA 0.340 4.979 4.640 -0.001 0.000 0.248 4313 D C -0.103 176.191 176.300 -0.009 0.000 1.273 4313 D CA -0.264 53.704 54.000 -0.054 0.000 0.904 4313 D CB 0.341 41.113 40.800 -0.047 0.000 1.089 4313 D HN 0.521 nan 8.370 nan 0.000 0.478 4314 K N 0.279 120.688 120.400 0.016 0.000 2.313 4314 K HA 0.534 4.853 4.320 -0.001 0.000 0.235 4314 K C 0.186 176.820 176.600 0.057 0.000 1.035 4314 K CA -0.853 55.465 56.287 0.052 0.000 0.868 4314 K CB 1.728 34.291 32.500 0.106 0.000 1.232 4314 K HN 0.311 nan 8.250 nan 0.000 0.459 4315 E N -0.102 120.128 120.200 0.050 0.000 2.378 4315 E HA 0.480 4.830 4.350 -0.001 0.000 0.265 4315 E C -0.748 175.866 176.600 0.023 0.000 0.932 4315 E CA -1.141 55.282 56.400 0.039 0.000 0.795 4315 E CB 1.118 30.835 29.700 0.028 0.000 1.296 4315 E HN 0.100 nan 8.360 nan 0.000 0.438 4316 R N 1.408 121.914 120.500 0.011 0.000 2.296 4316 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 4316 R C 1.248 177.542 176.300 -0.011 0.000 1.067 4316 R CA 0.160 56.252 56.100 -0.014 0.000 0.946 4316 R CB 0.955 31.246 30.300 -0.016 0.000 0.991 4316 R HN 0.649 nan 8.270 nan 0.000 0.448 4317 V N 0.013 119.916 119.914 -0.020 0.000 2.688 4317 V HA -0.101 4.018 4.120 -0.001 0.000 0.256 4317 V C 0.905 176.996 176.094 -0.006 0.000 1.084 4317 V CA 1.212 63.506 62.300 -0.010 0.000 1.103 4317 V CB -0.252 31.563 31.823 -0.013 0.000 0.688 4317 V HN 0.526 nan 8.190 nan 0.000 0.480 4318 S N -0.904 114.791 115.700 -0.009 0.000 2.521 4318 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 4318 S C 0.828 175.427 174.600 -0.001 0.000 1.098 4318 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 4318 S CB 1.821 65.023 63.200 0.004 0.000 1.034 4318 S HN 0.735 nan 8.310 nan 0.000 0.483 4319 A N 3.478 126.301 122.820 0.005 0.000 2.121 4319 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 4319 A C 1.782 179.369 177.584 0.006 0.000 1.154 4319 A CA 1.116 53.157 52.037 0.006 0.000 0.679 4319 A CB -0.438 18.566 19.000 0.007 0.000 0.795 4319 A HN 0.904 nan 8.150 nan 0.000 0.458 4320 Q N -0.905 118.900 119.800 0.008 0.000 2.389 4320 Q HA 0.143 4.483 4.340 -0.001 0.000 0.204 4320 Q C 0.296 176.288 176.000 -0.013 0.000 0.944 4320 Q CA 0.072 55.877 55.803 0.003 0.000 0.908 4320 Q CB -0.060 28.686 28.738 0.014 0.000 1.002 4320 Q HN 0.665 nan 8.270 nan 0.000 0.493 4321 M N 1.677 121.266 119.600 -0.017 0.000 2.242 4321 M HA 0.178 4.658 4.480 -0.001 0.000 0.344 4321 M C -2.111 174.178 176.300 -0.018 0.000 1.140 4321 M CA -1.920 53.364 55.300 -0.026 0.000 1.160 4321 M CB 0.170 32.750 32.600 -0.034 0.000 1.491 4321 M HN -0.179 nan 8.290 nan 0.000 0.459 4322 P HA 0.006 nan 4.420 nan 0.000 0.266 4322 P C -0.455 176.840 177.300 -0.007 0.000 1.193 4322 P CA 0.278 63.370 63.100 -0.012 0.000 0.770 4322 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 4323 K N 1.269 121.669 120.400 0.001 0.000 2.393 4323 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 4323 K C 0.384 176.995 176.600 0.019 0.000 1.026 4323 K CA 0.474 56.767 56.287 0.011 0.000 1.064 4323 K CB 0.124 32.631 32.500 0.012 0.000 0.833 4323 K HN 0.496 nan 8.250 nan 0.000 0.521 4324 K N -0.383 120.024 120.400 0.012 0.000 2.571 4324 K HA 0.337 4.656 4.320 -0.001 0.000 0.252 4324 K C -1.330 175.277 176.600 0.011 0.000 0.956 4324 K CA -0.788 55.510 56.287 0.018 0.000 0.822 4324 K CB 2.024 34.531 32.500 0.012 0.000 1.286 4324 K HN -0.275 nan 8.250 nan 0.000 0.439 4325 V N 2.097 122.021 119.914 0.017 0.000 2.577 4325 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 4325 V C -0.207 175.898 176.094 0.020 0.000 1.042 4325 V CA -0.538 61.770 62.300 0.012 0.000 0.872 4325 V CB 1.849 33.675 31.823 0.006 0.000 0.998 4325 V HN 1.006 nan 8.190 nan 0.000 0.423 4326 T N -0.165 114.397 114.554 0.013 0.000 2.945 4326 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 4326 T C 0.104 174.811 174.700 0.011 0.000 1.025 4326 T CA -0.256 61.851 62.100 0.013 0.000 1.039 4326 T CB 1.370 70.242 68.868 0.006 0.000 1.068 4326 T HN 0.773 nan 8.240 nan 0.000 0.497 4327 D N 0.058 120.465 120.400 0.011 0.000 2.689 4327 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 4327 D C 0.270 176.579 176.300 0.016 0.000 1.148 4327 D CA 0.845 54.851 54.000 0.010 0.000 0.656 4327 D CB -1.257 39.546 40.800 0.006 0.000 1.050 4327 D HN 1.086 nan 8.370 nan 0.000 0.426 4328 A N 1.307 124.142 122.820 0.024 0.000 2.425 4328 A HA 0.409 4.729 4.320 -0.001 0.000 0.249 4328 A C 0.533 178.138 177.584 0.035 0.000 1.084 4328 A CA 0.060 52.116 52.037 0.031 0.000 0.781 4328 A CB 0.635 19.665 19.000 0.050 0.000 1.019 4328 A HN 0.150 nan 8.150 nan 0.000 0.490 4329 K N 2.721 123.138 120.400 0.030 0.000 2.354 4329 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 4329 K C -1.223 175.403 176.600 0.043 0.000 1.062 4329 K CA -0.195 56.111 56.287 0.032 0.000 0.971 4329 K CB 0.831 33.343 32.500 0.020 0.000 1.305 4329 K HN 0.541 nan 8.250 nan 0.000 0.449 4330 I N 2.197 122.809 120.570 0.070 0.000 2.352 4330 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 4330 I C 0.407 176.583 176.117 0.099 0.000 1.036 4330 I CA -0.130 61.239 61.300 0.115 0.000 1.336 4330 I CB 1.315 39.420 38.000 0.175 0.000 1.407 4330 I HN 0.454 nan 8.210 nan 0.000 0.497 4331 A N 7.635 130.512 122.820 0.095 0.000 2.330 4331 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 4331 A C -0.765 176.894 177.584 0.124 0.000 1.155 4331 A CA -0.583 51.502 52.037 0.080 0.000 0.803 4331 A CB 0.695 19.720 19.000 0.042 0.000 1.208 4331 A HN 0.651 nan 8.150 nan 0.000 0.477 4332 L N 3.337 124.624 121.223 0.106 0.000 2.298 4332 L HA 0.487 4.827 4.340 -0.001 0.000 0.284 4332 L C -0.823 176.091 176.870 0.074 0.000 1.013 4332 L CA -0.189 54.719 54.840 0.114 0.000 0.824 4332 L CB 1.169 43.279 42.059 0.085 0.000 1.221 4332 L HN 0.576 nan 8.230 nan 0.000 0.418 4333 L N 3.101 124.370 121.223 0.078 0.000 2.334 4333 L HA 0.450 4.790 4.340 -0.001 0.000 0.276 4333 L C 0.734 177.635 176.870 0.052 0.000 1.014 4333 L CA -0.379 54.493 54.840 0.053 0.000 0.815 4333 L CB 2.116 44.202 42.059 0.045 0.000 1.268 4333 L HN 0.587 nan 8.230 nan 0.000 0.428 4334 N N 0.485 119.208 118.700 0.037 0.000 2.348 4334 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 4334 N C 0.351 175.878 175.510 0.028 0.000 1.094 4334 N CA -0.050 53.019 53.050 0.032 0.000 0.885 4334 N CB 0.570 39.071 38.487 0.023 0.000 1.065 4334 N HN 0.753 nan 8.380 nan 0.000 0.472 4335 C N 0.801 120.117 119.300 0.026 0.000 2.470 4335 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 4335 C C 1.038 176.044 174.990 0.026 0.000 1.341 4335 C CA -1.258 57.774 59.018 0.023 0.000 2.440 4335 C CB -0.005 27.748 27.740 0.021 0.000 2.295 4335 C HN 0.324 nan 8.230 nan 0.000 0.645 4336 A N 0.767 123.602 122.820 0.024 0.000 2.340 4336 A HA 0.631 4.951 4.320 -0.001 0.000 0.268 4336 A C -0.008 177.592 177.584 0.028 0.000 1.100 4336 A CA -0.641 51.411 52.037 0.026 0.000 0.803 4336 A CB -0.082 18.932 19.000 0.023 0.000 1.043 4336 A HN 0.859 nan 8.150 nan 0.000 0.488 4337 I N 2.246 122.834 120.570 0.030 0.000 2.243 4337 I HA 0.204 4.374 4.170 -0.001 0.000 0.289 4337 I C 0.115 176.258 176.117 0.043 0.000 1.140 4337 I CA 0.471 61.792 61.300 0.036 0.000 1.289 4337 I CB -0.554 37.468 38.000 0.038 0.000 1.498 4337 I HN 0.716 nan 8.210 nan 0.000 0.561 4338 E N 3.530 123.754 120.200 0.039 0.000 2.450 4338 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 4338 E C -0.793 175.832 176.600 0.040 0.000 0.967 4338 E CA -1.120 55.304 56.400 0.040 0.000 0.818 4338 E CB 2.332 32.051 29.700 0.031 0.000 1.401 4338 E HN 0.123 nan 8.360 nan 0.000 0.450 4339 I N 2.310 122.904 120.570 0.041 0.000 2.406 4339 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 4339 I C 0.506 176.642 176.117 0.031 0.000 1.101 4339 I CA 0.173 61.498 61.300 0.041 0.000 1.334 4339 I CB -0.518 37.510 38.000 0.046 0.000 1.421 4339 I HN 0.398 nan 8.210 nan 0.000 0.513 4340 K N 4.901 125.318 120.400 0.029 0.000 2.319 4340 K HA 0.083 4.403 4.320 -0.001 0.000 0.265 4340 K C -0.064 176.549 176.600 0.022 0.000 1.000 4340 K CA -0.198 56.102 56.287 0.023 0.000 0.943 4340 K CB 0.845 33.358 32.500 0.021 0.000 0.950 4340 K HN 0.460 nan 8.250 nan 0.000 0.485 4341 E N 1.419 121.629 120.200 0.016 0.000 2.207 4341 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 4341 E C -1.055 175.552 176.600 0.013 0.000 0.927 4341 E CA -0.591 55.817 56.400 0.013 0.000 0.799 4341 E CB 1.358 31.062 29.700 0.007 0.000 1.172 4341 E HN 0.637 nan 8.360 nan 0.000 0.404 4342 T N 1.099 115.660 114.554 0.013 0.000 2.813 4342 T HA 0.178 4.528 4.350 -0.001 0.000 0.297 4342 T C 0.746 175.451 174.700 0.008 0.000 1.036 4342 T CA -0.378 61.729 62.100 0.012 0.000 1.044 4342 T CB 0.760 69.636 68.868 0.014 0.000 0.993 4342 T HN 0.417 nan 8.240 nan 0.000 0.535 4343 E N 0.333 120.538 120.200 0.008 0.000 2.047 4343 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 4343 E C 1.238 177.841 176.600 0.005 0.000 0.987 4343 E CA 1.032 57.436 56.400 0.006 0.000 0.799 4343 E CB -0.586 29.118 29.700 0.006 0.000 0.752 4343 E HN 0.780 nan 8.360 nan 0.000 0.449 4344 T N 1.316 115.874 114.554 0.006 0.000 2.930 4344 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 4344 T C -0.425 174.278 174.700 0.004 0.000 1.045 4344 T CA -0.691 61.412 62.100 0.005 0.000 1.134 4344 T CB 0.207 69.079 68.868 0.006 0.000 0.961 4344 T HN -0.120 nan 8.240 nan 0.000 0.545 4345 D N 2.828 123.229 120.400 0.001 0.000 2.425 4345 D HA 0.493 5.133 4.640 -0.001 0.000 0.247 4345 D C -0.244 176.055 176.300 -0.002 0.000 1.147 4345 D CA 0.459 54.458 54.000 -0.001 0.000 0.879 4345 D CB 0.869 41.667 40.800 -0.003 0.000 1.179 4345 D HN 0.758 nan 8.370 nan 0.000 0.456 4346 A N 2.637 125.454 122.820 -0.006 0.000 2.547 4346 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 4346 A C -0.850 176.721 177.584 -0.022 0.000 1.056 4346 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 4346 A CB 1.603 20.604 19.000 0.002 0.000 1.282 4346 A HN 0.463 nan 8.150 nan 0.000 0.400 4347 E N 0.927 121.107 120.200 -0.032 0.000 2.314 4347 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 4347 E C -1.428 175.119 176.600 -0.089 0.000 0.884 4347 E CA -0.850 55.514 56.400 -0.061 0.000 0.753 4347 E CB 2.312 31.981 29.700 -0.051 0.000 1.213 4347 E HN 0.498 nan 8.360 nan 0.000 0.432 4348 I N 2.198 122.666 120.570 -0.169 0.000 2.428 4348 I HA 0.153 4.323 4.170 -0.001 0.000 0.289 4348 I C 0.041 176.036 176.117 -0.202 0.000 1.019 4348 I CA -0.186 60.943 61.300 -0.285 0.000 1.351 4348 I CB 0.421 38.011 38.000 -0.683 0.000 1.412 4348 I HN 0.188 nan 8.210 nan 0.000 0.513 4349 R N 6.727 127.149 120.500 -0.130 0.000 2.310 4349 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 4349 R C -0.993 175.294 176.300 -0.021 0.000 1.004 4349 R CA -0.765 55.299 56.100 -0.061 0.000 0.900 4349 R CB 0.857 31.145 30.300 -0.020 0.000 1.152 4349 R HN 0.409 nan 8.270 nan 0.000 0.513 4350 I N 3.047 123.596 120.570 -0.036 0.000 2.416 4350 I HA 0.059 4.228 4.170 -0.001 0.000 0.288 4350 I C 1.642 177.780 176.117 0.035 0.000 1.051 4350 I CA 0.320 61.636 61.300 0.026 0.000 1.375 4350 I CB 1.103 39.108 38.000 0.008 0.000 1.407 4350 I HN 0.519 nan 8.210 nan 0.000 0.516 4351 T N 0.022 114.612 114.554 0.059 0.000 3.040 4351 T HA 0.221 4.570 4.350 -0.001 0.000 0.266 4351 T C 0.261 174.985 174.700 0.040 0.000 1.005 4351 T CA -0.227 61.898 62.100 0.042 0.000 0.906 4351 T CB 0.564 69.457 68.868 0.042 0.000 1.082 4351 T HN 0.576 nan 8.240 nan 0.000 0.531 4352 D N 0.843 121.274 120.400 0.051 0.000 2.886 4352 D HA 0.257 4.897 4.640 -0.001 0.000 0.216 4352 D C -2.301 174.029 176.300 0.050 0.000 1.256 4352 D CA -1.689 52.337 54.000 0.043 0.000 0.844 4352 D CB 2.911 43.735 40.800 0.039 0.000 1.669 4352 D HN -0.242 nan 8.370 nan 0.000 0.513 4353 P HA -0.097 nan 4.420 nan 0.000 0.219 4353 P C 1.044 178.368 177.300 0.041 0.000 1.146 4353 P CA 0.837 63.959 63.100 0.036 0.000 0.808 4353 P CB 0.300 32.014 31.700 0.024 0.000 0.779 4354 A N 0.530 123.371 122.820 0.035 0.000 1.930 4354 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 4354 A C 2.394 180.002 177.584 0.040 0.000 1.175 4354 A CA 1.717 53.772 52.037 0.030 0.000 0.627 4354 A CB -1.073 17.937 19.000 0.017 0.000 0.815 4354 A HN 0.159 nan 8.150 nan 0.000 0.443 4355 K N -0.686 119.752 120.400 0.062 0.000 2.103 4355 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 4355 K C 1.843 178.580 176.600 0.229 0.000 1.052 4355 K CA 1.121 57.472 56.287 0.107 0.000 0.945 4355 K CB -0.258 32.323 32.500 0.135 0.000 0.722 4355 K HN 0.305 nan 8.250 nan 0.000 0.443 4356 L N 1.092 122.422 121.223 0.178 0.000 2.043 4356 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 4356 L C 2.029 179.003 176.870 0.173 0.000 1.075 4356 L CA 1.762 56.707 54.840 0.175 0.000 0.752 4356 L CB -0.305 41.806 42.059 0.085 0.000 0.891 4356 L HN 0.282 nan 8.230 nan 0.000 0.432 4357 M N -1.159 118.507 119.600 0.109 0.000 2.254 4357 M HA -0.119 4.361 4.480 -0.001 0.000 0.265 4357 M C 2.129 178.463 176.300 0.056 0.000 1.066 4357 M CA 1.200 56.544 55.300 0.074 0.000 1.123 4357 M CB -1.035 31.591 32.600 0.043 0.000 1.388 4357 M HN 0.352 nan 8.290 nan 0.000 0.425 4358 E N -0.147 120.069 120.200 0.026 0.000 2.097 4358 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 4358 E C 1.865 178.379 176.600 -0.143 0.000 1.000 4358 E CA 1.400 57.746 56.400 -0.090 0.000 0.804 4358 E CB -0.203 29.387 29.700 -0.182 0.000 0.740 4358 E HN 0.400 nan 8.360 nan 0.000 0.454 4359 F N 0.421 120.377 119.950 0.010 0.000 2.163 4359 F HA -0.067 4.459 4.527 -0.000 0.000 0.297 4359 F C 2.217 178.027 175.800 0.017 0.000 1.094 4359 F CA 0.644 58.651 58.000 0.012 0.000 1.290 4359 F CB -0.178 38.828 39.000 0.010 0.000 1.017 4359 F HN -0.047 nan 8.300 nan 0.000 0.483 4360 I N 0.193 120.886 120.570 0.205 0.000 2.194 4360 I HA -0.322 3.848 4.170 -0.001 0.000 0.246 4360 I C 2.056 178.229 176.117 0.094 0.000 1.093 4360 I CA 1.674 63.048 61.300 0.124 0.000 1.355 4360 I CB -0.459 37.594 38.000 0.089 0.000 1.046 4360 I HN 0.221 nan 8.210 nan 0.000 0.413 4361 E N -0.161 120.080 120.200 0.068 0.000 2.274 4361 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 4361 E C 2.025 178.648 176.600 0.038 0.000 0.996 4361 E CA 0.546 56.975 56.400 0.049 0.000 0.840 4361 E CB 0.020 29.733 29.700 0.022 0.000 0.772 4361 E HN 0.370 nan 8.360 nan 0.000 0.491 4362 Q N 1.151 120.969 119.800 0.030 0.000 2.137 4362 Q HA -0.147 4.192 4.340 -0.001 0.000 0.198 4362 Q C 1.432 177.465 176.000 0.054 0.000 0.960 4362 Q CA 1.330 57.143 55.803 0.017 0.000 0.847 4362 Q CB 0.203 28.932 28.738 -0.015 0.000 0.915 4362 Q HN 0.084 nan 8.270 nan 0.000 0.448 4363 E N 0.171 120.426 120.200 0.091 0.000 2.150 4363 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 4363 E C 1.670 178.339 176.600 0.114 0.000 0.985 4363 E CA 1.144 57.602 56.400 0.097 0.000 0.814 4363 E CB 0.066 29.828 29.700 0.103 0.000 0.752 4363 E HN 0.472 nan 8.360 nan 0.000 0.466 4364 E N 0.426 120.703 120.200 0.128 0.000 2.051 4364 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 4364 E C 1.963 178.622 176.600 0.098 0.000 0.991 4364 E CA 1.047 57.573 56.400 0.210 0.000 0.799 4364 E CB -0.058 29.761 29.700 0.198 0.000 0.748 4364 E HN 0.078 nan 8.360 nan 0.000 0.449 4365 K N 0.834 121.245 120.400 0.017 0.000 2.057 4365 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 4365 K C 2.234 178.789 176.600 -0.075 0.000 1.049 4365 K CA 1.193 57.441 56.287 -0.065 0.000 0.931 4365 K CB -0.063 32.414 32.500 -0.039 0.000 0.714 4365 K HN 0.078 nan 8.250 nan 0.000 0.440 4366 M N 0.768 120.360 119.600 -0.012 0.000 2.067 4366 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 4366 M C 1.877 178.173 176.300 -0.007 0.000 1.069 4366 M CA 1.623 56.922 55.300 -0.001 0.000 1.117 4366 M CB -0.071 32.549 32.600 0.034 0.000 1.334 4366 M HN 0.182 nan 8.290 nan 0.000 0.407 4367 L N -0.011 121.237 121.223 0.041 0.000 2.083 4367 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 4367 L C 2.690 179.547 176.870 -0.022 0.000 1.083 4367 L CA 1.056 55.952 54.840 0.093 0.000 0.752 4367 L CB -0.920 41.289 42.059 0.251 0.000 0.899 4367 L HN 0.380 nan 8.230 nan 0.000 0.433 4368 K N 0.402 120.590 120.400 -0.354 0.000 2.097 4368 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 4368 K C 1.402 177.828 176.600 -0.290 0.000 1.049 4368 K CA 1.735 57.600 56.287 -0.703 0.000 0.933 4368 K CB -0.092 31.848 32.500 -0.933 0.000 0.717 4368 K HN 0.277 nan 8.250 nan 0.000 0.442 4369 D N 0.290 120.587 120.400 -0.173 0.000 2.183 4369 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 4369 D C 1.959 178.223 176.300 -0.060 0.000 0.969 4369 D CA 0.688 54.629 54.000 -0.098 0.000 0.842 4369 D CB 0.050 40.810 40.800 -0.067 0.000 0.957 4369 D HN 0.175 nan 8.370 nan 0.000 0.484 4370 M N 0.211 119.786 119.600 -0.042 0.000 2.132 4370 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 4370 M C 2.251 178.545 176.300 -0.010 0.000 1.065 4370 M CA 0.708 56.001 55.300 -0.011 0.000 1.122 4370 M CB -0.735 31.873 32.600 0.013 0.000 1.365 4370 M HN -0.084 nan 8.290 nan 0.000 0.411 4371 V N 0.298 120.202 119.914 -0.017 0.000 2.453 4371 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 4371 V C 2.668 178.744 176.094 -0.031 0.000 1.048 4371 V CA 1.546 63.841 62.300 -0.009 0.000 1.049 4371 V CB -1.234 30.601 31.823 0.020 0.000 0.672 4371 V HN 0.459 nan 8.190 nan 0.000 0.457 4372 A N -0.016 122.769 122.820 -0.058 0.000 1.972 4372 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 4372 A C 2.168 179.732 177.584 -0.034 0.000 1.169 4372 A CA 1.975 53.980 52.037 -0.054 0.000 0.635 4372 A CB -0.394 18.561 19.000 -0.075 0.000 0.810 4372 A HN 0.550 nan 8.150 nan 0.000 0.446 4373 E N 0.293 120.476 120.200 -0.028 0.000 2.072 4373 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 4373 E C 1.683 178.277 176.600 -0.010 0.000 0.982 4373 E CA 1.196 57.586 56.400 -0.016 0.000 0.803 4373 E CB -0.359 29.334 29.700 -0.012 0.000 0.755 4373 E HN 0.635 nan 8.360 nan 0.000 0.453 4374 I N 0.295 120.860 120.570 -0.008 0.000 2.179 4374 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 4374 I C 2.299 178.412 176.117 -0.007 0.000 1.088 4374 I CA 1.268 62.565 61.300 -0.004 0.000 1.357 4374 I CB -0.250 37.747 38.000 -0.004 0.000 1.051 4374 I HN 0.068 nan 8.210 nan 0.000 0.409 4375 K N 1.578 121.971 120.400 -0.013 0.000 2.097 4375 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 4375 K C 2.035 178.629 176.600 -0.012 0.000 1.049 4375 K CA 1.628 57.907 56.287 -0.014 0.000 0.933 4375 K CB -0.357 32.132 32.500 -0.020 0.000 0.717 4375 K HN 0.276 nan 8.250 nan 0.000 0.442 4376 A N -0.166 122.647 122.820 -0.013 0.000 1.933 4376 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 4376 A C 2.184 179.765 177.584 -0.005 0.000 1.175 4376 A CA 2.064 54.095 52.037 -0.010 0.000 0.628 4376 A CB -0.720 18.273 19.000 -0.012 0.000 0.814 4376 A HN 0.354 nan 8.150 nan 0.000 0.444 4377 S N -1.794 113.905 115.700 -0.003 0.000 2.423 4377 S HA 0.233 4.702 4.470 -0.001 0.000 0.231 4377 S C 1.533 176.135 174.600 0.004 0.000 1.014 4377 S CA 1.258 59.459 58.200 0.002 0.000 0.965 4377 S CB -0.122 63.081 63.200 0.006 0.000 0.785 4377 S HN 1.684 nan 8.310 nan 0.000 0.495 4378 G N 0.580 109.380 108.800 0.001 0.000 2.168 4378 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.197 4378 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.197 4378 G C 0.086 174.987 174.900 0.003 0.000 0.997 4378 G CA -0.178 44.922 45.100 0.002 0.000 0.658 4378 G HN 0.805 nan 8.290 nan 0.000 0.513 4379 A N 0.260 123.081 122.820 0.003 0.000 2.407 4379 A HA 0.638 4.958 4.320 -0.001 0.000 0.248 4379 A C 0.937 178.517 177.584 -0.007 0.000 1.082 4379 A CA 0.942 52.981 52.037 0.003 0.000 0.785 4379 A CB 0.251 19.254 19.000 0.005 0.000 1.020 4379 A HN 1.297 nan 8.150 nan 0.000 0.489 4380 N N -0.637 118.056 118.700 -0.011 0.000 2.036 4380 N HA 0.202 4.941 4.740 -0.001 0.000 0.228 4380 N C -0.959 174.524 175.510 -0.045 0.000 1.368 4380 N CA 0.053 53.089 53.050 -0.024 0.000 0.846 4380 N CB 0.482 38.961 38.487 -0.015 0.000 1.145 4380 N HN 0.268 nan 8.380 nan 0.000 0.502 4381 V N 1.518 121.403 119.914 -0.050 0.000 2.656 4381 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 4381 V C -1.145 174.860 176.094 -0.148 0.000 1.051 4381 V CA -0.770 61.457 62.300 -0.122 0.000 0.893 4381 V CB 2.402 34.197 31.823 -0.047 0.000 0.999 4381 V HN 0.230 nan 8.190 nan 0.000 0.426 4382 L N 5.461 126.496 121.223 -0.312 0.000 2.441 4382 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 4382 L C -1.927 174.706 176.870 -0.394 0.000 0.973 4382 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 4382 L CB 1.600 43.590 42.059 -0.115 0.000 1.239 4382 L HN 0.598 nan 8.230 nan 0.000 0.406 4383 F N 4.391 124.345 119.950 0.006 0.000 2.402 4383 F HA 0.361 4.887 4.527 -0.001 0.000 0.355 4383 F C 0.397 176.199 175.800 0.005 0.000 1.123 4383 F CA -0.479 57.523 58.000 0.004 0.000 1.021 4383 F CB 1.492 40.492 39.000 -0.001 0.000 1.160 4383 F HN 0.437 nan 8.300 nan 0.000 0.451 4384 C N 5.191 124.578 119.300 0.145 0.000 2.281 4384 C HA 0.221 4.680 4.460 -0.001 0.000 0.325 4384 C C 1.625 176.668 174.990 0.088 0.000 1.282 4384 C CA -0.473 58.599 59.018 0.091 0.000 1.640 4384 C CB 0.649 28.419 27.740 0.050 0.000 2.288 4384 C HN 0.960 nan 8.230 nan 0.000 0.507 4385 Q N 3.531 123.373 119.800 0.070 0.000 2.170 4385 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 4385 Q C 0.752 176.775 176.000 0.038 0.000 0.976 4385 Q CA 1.633 57.465 55.803 0.049 0.000 0.858 4385 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 4385 Q HN 0.761 nan 8.270 nan 0.000 0.433 4386 K N -1.159 119.262 120.400 0.036 0.000 2.632 4386 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 4386 K C 0.319 176.936 176.600 0.030 0.000 1.028 4386 K CA -0.202 56.102 56.287 0.028 0.000 1.045 4386 K CB 0.189 32.703 32.500 0.024 0.000 1.400 4386 K HN 0.112 nan 8.250 nan 0.000 0.522 4387 G N 0.262 109.076 108.800 0.024 0.000 2.599 4387 G HA2 0.436 4.395 3.960 -0.001 0.000 0.264 4387 G HA3 0.436 4.395 3.960 -0.001 0.000 0.264 4387 G C -0.528 174.386 174.900 0.023 0.000 1.200 4387 G CA -0.527 44.586 45.100 0.022 0.000 0.896 4387 G HN 0.367 nan 8.290 nan 0.000 0.536 4388 I N 0.246 120.828 120.570 0.021 0.000 2.499 4388 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 4388 I C -0.493 175.637 176.117 0.022 0.000 1.048 4388 I CA -0.789 60.525 61.300 0.023 0.000 1.062 4388 I CB 2.157 40.167 38.000 0.017 0.000 1.238 4388 I HN 0.429 nan 8.210 nan 0.000 0.426 4389 D N 5.316 125.734 120.400 0.031 0.000 2.443 4389 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 4389 D C 0.756 177.067 176.300 0.018 0.000 1.136 4389 D CA 0.063 54.079 54.000 0.028 0.000 0.879 4389 D CB 1.330 42.156 40.800 0.043 0.000 1.195 4389 D HN 0.639 nan 8.370 nan 0.000 0.443 4390 D N 3.566 123.967 120.400 0.002 0.000 2.158 4390 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 4390 D C 1.955 178.233 176.300 -0.036 0.000 0.995 4390 D CA 0.776 54.767 54.000 -0.015 0.000 0.846 4390 D CB -0.371 40.414 40.800 -0.024 0.000 0.941 4390 D HN 0.362 nan 8.370 nan 0.000 0.456 4391 L N 0.560 121.754 121.223 -0.048 0.000 2.072 4391 L HA 0.148 4.488 4.340 -0.001 0.000 0.205 4391 L C 2.378 179.161 176.870 -0.145 0.000 1.079 4391 L CA 1.858 56.617 54.840 -0.135 0.000 0.752 4391 L CB -0.991 41.018 42.059 -0.085 0.000 0.906 4391 L HN 0.102 nan 8.230 nan 0.000 0.436 4392 A N -1.127 121.721 122.820 0.048 0.000 1.972 4392 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 4392 A C 2.165 179.805 177.584 0.093 0.000 1.169 4392 A CA 1.732 53.868 52.037 0.166 0.000 0.635 4392 A CB -0.520 18.561 19.000 0.136 0.000 0.810 4392 A HN 0.666 nan 8.150 nan 0.000 0.446 4393 Q N -1.654 118.167 119.800 0.034 0.000 2.124 4393 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 4393 Q C 2.046 178.055 176.000 0.016 0.000 0.977 4393 Q CA 1.681 57.496 55.803 0.020 0.000 0.850 4393 Q CB -0.318 28.427 28.738 0.010 0.000 0.901 4393 Q HN 0.933 nan 8.270 nan 0.000 0.429 4394 H N -0.390 118.612 119.070 -0.115 0.000 2.353 4394 H HA -0.172 4.383 4.556 -0.001 0.000 0.300 4394 H C 1.357 176.633 175.328 -0.087 0.000 1.090 4394 H CA 1.718 57.675 56.048 -0.151 0.000 1.327 4394 H CB -0.080 29.517 29.762 -0.275 0.000 1.383 4394 H HN 0.224 nan 8.280 nan 0.000 0.508 4395 Y N 0.177 120.454 120.300 -0.039 0.000 2.224 4395 Y HA -0.133 4.416 4.550 -0.001 0.000 0.289 4395 Y C 2.567 178.404 175.900 -0.104 0.000 1.146 4395 Y CA 1.040 59.087 58.100 -0.089 0.000 1.182 4395 Y CB -0.644 37.813 38.460 -0.004 0.000 0.983 4395 Y HN 0.219 nan 8.280 nan 0.000 0.524 4396 L N -1.037 120.234 121.223 0.079 0.000 2.046 4396 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 4396 L C 2.641 179.490 176.870 -0.035 0.000 1.077 4396 L CA 1.237 56.086 54.840 0.014 0.000 0.747 4396 L CB -0.831 41.230 42.059 0.003 0.000 0.896 4396 L HN 0.183 nan 8.230 nan 0.000 0.432 4397 A N -0.122 122.656 122.820 -0.069 0.000 1.930 4397 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 4397 A C 2.368 179.880 177.584 -0.119 0.000 1.175 4397 A CA 1.822 53.804 52.037 -0.092 0.000 0.627 4397 A CB -0.425 18.518 19.000 -0.096 0.000 0.815 4397 A HN 0.328 nan 8.150 nan 0.000 0.443 4398 K N -0.424 119.868 120.400 -0.180 0.000 2.147 4398 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 4398 K C 1.031 177.596 176.600 -0.059 0.000 1.049 4398 K CA 1.485 57.686 56.287 -0.143 0.000 0.936 4398 K CB 0.004 32.420 32.500 -0.140 0.000 0.722 4398 K HN 0.335 nan 8.250 nan 0.000 0.446 4399 E N -0.716 119.461 120.200 -0.039 0.000 2.479 4399 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 4399 E C 0.687 177.270 176.600 -0.028 0.000 1.049 4399 E CA 0.665 57.050 56.400 -0.026 0.000 0.870 4399 E CB 0.825 30.514 29.700 -0.018 0.000 0.944 4399 E HN 0.538 nan 8.360 nan 0.000 0.492 4400 G N 1.927 110.706 108.800 -0.036 0.000 2.160 4400 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 4400 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 4400 G C 0.228 175.108 174.900 -0.034 0.000 1.022 4400 G CA 0.101 45.181 45.100 -0.032 0.000 0.741 4400 G HN 0.271 nan 8.290 nan 0.000 0.508 4401 I N 1.133 121.679 120.570 -0.040 0.000 2.325 4401 I HA 0.403 4.572 4.170 -0.001 0.000 0.291 4401 I C 1.074 177.151 176.117 -0.066 0.000 1.019 4401 I CA -1.053 60.217 61.300 -0.049 0.000 1.302 4401 I CB 1.490 39.464 38.000 -0.043 0.000 1.401 4401 I HN 0.153 nan 8.210 nan 0.000 0.485 4402 V N 3.908 123.771 119.914 -0.085 0.000 2.546 4402 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 4402 V C 0.094 176.071 176.094 -0.195 0.000 1.050 4402 V CA -0.253 61.979 62.300 -0.112 0.000 0.981 4402 V CB 1.101 32.865 31.823 -0.098 0.000 0.990 4402 V HN 0.834 nan 8.190 nan 0.000 0.474 4403 A N 3.531 126.236 122.820 -0.191 0.000 2.549 4403 A HA 1.015 5.334 4.320 -0.001 0.000 0.297 4403 A C -0.400 177.066 177.584 -0.196 0.000 1.061 4403 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 4403 A CB 1.817 20.737 19.000 -0.133 0.000 1.287 4403 A HN 2.381 nan 8.150 nan 0.000 0.402 4404 A N 1.389 124.077 122.820 -0.220 0.000 2.449 4404 A HA 0.848 5.167 4.320 -0.001 0.000 0.302 4404 A C -0.302 177.295 177.584 0.022 0.000 1.048 4404 A CA -0.607 51.399 52.037 -0.053 0.000 0.708 4404 A CB 1.157 20.184 19.000 0.045 0.000 1.274 4404 A HN 1.404 nan 8.150 nan 0.000 0.410 4405 R N 1.385 121.908 120.500 0.037 0.000 2.832 4405 R HA 0.795 5.135 4.340 -0.001 0.000 0.271 4405 R C -0.471 175.861 176.300 0.052 0.000 0.996 4405 R CA -0.768 55.358 56.100 0.044 0.000 0.977 4405 R CB 0.802 31.117 30.300 0.025 0.000 1.168 4405 R HN 0.577 nan 8.270 nan 0.000 0.482 4406 R N -0.138 120.391 120.500 0.048 0.000 3.532 4406 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 4406 R C -0.773 175.553 176.300 0.043 0.000 1.140 4406 R CA 0.602 56.725 56.100 0.038 0.000 0.768 4406 R CB -2.350 27.966 30.300 0.027 0.000 1.252 4406 R HN 0.548 nan 8.270 nan 0.000 0.454 4407 V N 1.497 121.450 119.914 0.063 0.000 2.572 4407 V HA 0.063 4.183 4.120 -0.001 0.000 0.291 4407 V C 1.425 177.531 176.094 0.018 0.000 1.039 4407 V CA -0.113 62.222 62.300 0.057 0.000 1.055 4407 V CB 1.334 33.217 31.823 0.101 0.000 0.969 4407 V HN 0.137 nan 8.190 nan 0.000 0.482 4408 K N 4.155 124.552 120.400 -0.004 0.000 2.448 4408 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 4408 K C 1.388 177.974 176.600 -0.022 0.000 1.009 4408 K CA -0.242 56.036 56.287 -0.014 0.000 0.995 4408 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 4408 K HN 0.609 nan 8.250 nan 0.000 0.481 4409 K N 2.139 122.531 120.400 -0.014 0.000 2.074 4409 K HA -0.197 4.122 4.320 -0.001 0.000 0.209 4409 K C 1.767 178.350 176.600 -0.028 0.000 1.048 4409 K CA 1.958 58.236 56.287 -0.016 0.000 0.926 4409 K CB -0.230 32.264 32.500 -0.009 0.000 0.713 4409 K HN 0.683 nan 8.250 nan 0.000 0.444 4410 S N 1.038 116.719 115.700 -0.031 0.000 2.370 4410 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 4410 S C 1.378 175.942 174.600 -0.061 0.000 1.033 4410 S CA 1.796 59.972 58.200 -0.040 0.000 1.011 4410 S CB -0.217 62.962 63.200 -0.036 0.000 0.852 4410 S HN 0.303 nan 8.310 nan 0.000 0.457 4411 D N 0.835 121.190 120.400 -0.076 0.000 2.144 4411 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 4411 D C 2.000 178.207 176.300 -0.155 0.000 0.984 4411 D CA 0.922 54.849 54.000 -0.123 0.000 0.834 4411 D CB -0.252 40.471 40.800 -0.130 0.000 0.955 4411 D HN 0.384 nan 8.370 nan 0.000 0.465 4412 M N 0.450 119.985 119.600 -0.107 0.000 2.175 4412 M HA -0.081 4.398 4.480 -0.001 0.000 0.264 4412 M C 1.901 178.155 176.300 -0.077 0.000 1.063 4412 M CA 1.191 56.437 55.300 -0.091 0.000 1.119 4412 M CB -0.775 31.806 32.600 -0.033 0.000 1.377 4412 M HN 0.111 nan 8.290 nan 0.000 0.415 4413 E N 0.088 120.251 120.200 -0.061 0.000 2.072 4413 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 4413 E C 2.061 178.628 176.600 -0.056 0.000 0.982 4413 E CA 0.836 57.209 56.400 -0.046 0.000 0.803 4413 E CB -0.006 29.674 29.700 -0.034 0.000 0.755 4413 E HN 0.500 nan 8.360 nan 0.000 0.453 4414 K N 0.649 121.004 120.400 -0.075 0.000 2.097 4414 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 4414 K C 2.200 178.745 176.600 -0.091 0.000 1.049 4414 K CA 0.809 57.050 56.287 -0.077 0.000 0.933 4414 K CB -0.088 32.358 32.500 -0.090 0.000 0.717 4414 K HN 0.110 nan 8.250 nan 0.000 0.442 4415 L N 0.507 121.649 121.223 -0.135 0.000 2.083 4415 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 4415 L C 2.585 179.412 176.870 -0.072 0.000 1.083 4415 L CA 1.084 55.834 54.840 -0.149 0.000 0.752 4415 L CB -0.548 41.347 42.059 -0.274 0.000 0.899 4415 L HN 0.198 nan 8.230 nan 0.000 0.433 4416 A N -0.268 122.520 122.820 -0.052 0.000 1.898 4416 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 4416 A C 2.340 179.917 177.584 -0.012 0.000 1.181 4416 A CA 1.320 53.345 52.037 -0.020 0.000 0.620 4416 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 4416 A HN 0.187 nan 8.150 nan 0.000 0.442 4417 K N -0.007 120.381 120.400 -0.020 0.000 2.002 4417 K HA -0.064 4.256 4.320 -0.001 0.000 0.209 4417 K C 2.342 178.941 176.600 -0.002 0.000 1.048 4417 K CA 1.443 57.723 56.287 -0.011 0.000 0.930 4417 K CB -0.876 31.614 32.500 -0.016 0.000 0.714 4417 K HN 0.435 nan 8.250 nan 0.000 0.438 4418 A N 1.270 124.084 122.820 -0.011 0.000 1.841 4418 A HA -0.147 4.173 4.320 -0.001 0.000 0.214 4418 A C 2.380 179.972 177.584 0.014 0.000 1.195 4418 A CA 2.731 54.767 52.037 -0.001 0.000 0.611 4418 A CB -1.075 17.915 19.000 -0.016 0.000 0.835 4418 A HN 0.517 nan 8.150 nan 0.000 0.443 4419 T N -4.479 110.080 114.554 0.010 0.000 3.043 4419 T HA 0.369 4.718 4.350 -0.001 0.000 0.263 4419 T C 1.490 176.209 174.700 0.032 0.000 1.094 4419 T CA 1.251 63.366 62.100 0.025 0.000 1.127 4419 T CB -0.067 68.820 68.868 0.032 0.000 0.905 4419 T HN 1.833 nan 8.240 nan 0.000 0.490 4420 G N 1.466 110.281 108.800 0.025 0.000 2.143 4420 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.249 4420 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.249 4420 G C 0.280 175.195 174.900 0.025 0.000 0.981 4420 G CA -0.004 45.112 45.100 0.026 0.000 0.665 4420 G HN 1.185 nan 8.290 nan 0.000 0.528 4421 A N -0.284 122.552 122.820 0.027 0.000 2.445 4421 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 4421 A C 0.428 178.028 177.584 0.026 0.000 1.075 4421 A CA 0.672 52.730 52.037 0.035 0.000 0.777 4421 A CB 0.391 19.422 19.000 0.052 0.000 1.013 4421 A HN 0.884 nan 8.150 nan 0.000 0.493 4422 N N 1.487 120.205 118.700 0.030 0.000 2.417 4422 N HA 0.375 5.114 4.740 -0.001 0.000 0.274 4422 N C -1.009 174.517 175.510 0.027 0.000 0.987 4422 N CA -0.420 52.643 53.050 0.023 0.000 0.912 4422 N CB 1.375 39.874 38.487 0.020 0.000 1.177 4422 N HN 0.283 nan 8.380 nan 0.000 0.490 4423 V N 4.816 124.743 119.914 0.022 0.000 2.485 4423 V HA 0.177 4.297 4.120 -0.001 0.000 0.287 4423 V C 0.335 176.443 176.094 0.022 0.000 1.022 4423 V CA -0.070 62.245 62.300 0.025 0.000 1.067 4423 V CB -0.115 31.717 31.823 0.016 0.000 0.967 4423 V HN 0.516 nan 8.190 nan 0.000 0.479 4424 I N 4.126 124.713 120.570 0.027 0.000 2.404 4424 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 4424 I C 1.026 177.156 176.117 0.022 0.000 0.992 4424 I CA -0.369 60.944 61.300 0.022 0.000 1.149 4424 I CB 1.408 39.421 38.000 0.022 0.000 1.315 4424 I HN 0.626 nan 8.210 nan 0.000 0.446 4425 A N 5.380 128.211 122.820 0.017 0.000 1.872 4425 A HA 0.313 4.633 4.320 -0.001 0.000 0.214 4425 A C 1.111 178.705 177.584 0.017 0.000 1.187 4425 A CA 1.115 53.162 52.037 0.016 0.000 0.614 4425 A CB -0.037 18.970 19.000 0.013 0.000 0.826 4425 A HN 0.734 nan 8.150 nan 0.000 0.442 4426 A N -0.903 121.927 122.820 0.015 0.000 2.317 4426 A HA 0.654 4.973 4.320 -0.001 0.000 0.327 4426 A C 0.768 178.361 177.584 0.015 0.000 1.178 4426 A CA -0.600 51.446 52.037 0.015 0.000 0.817 4426 A CB 0.421 19.428 19.000 0.012 0.000 1.189 4426 A HN 0.306 nan 8.150 nan 0.000 0.489 4427 I N 1.901 122.480 120.570 0.015 0.000 2.264 4427 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 4427 I C 2.754 178.877 176.117 0.010 0.000 1.111 4427 I CA 1.797 63.106 61.300 0.014 0.000 1.382 4427 I CB -0.207 37.802 38.000 0.014 0.000 1.060 4427 I HN 0.760 nan 8.210 nan 0.000 0.418 4428 A N 0.659 123.484 122.820 0.009 0.000 1.972 4428 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 4428 A C 2.422 180.010 177.584 0.006 0.000 1.169 4428 A CA 1.725 53.766 52.037 0.006 0.000 0.635 4428 A CB -0.657 18.346 19.000 0.006 0.000 0.810 4428 A HN 0.448 nan 8.150 nan 0.000 0.446 4429 A N -0.702 122.123 122.820 0.009 0.000 2.206 4429 A HA 0.341 4.660 4.320 -0.001 0.000 0.211 4429 A C 0.916 178.506 177.584 0.010 0.000 1.158 4429 A CA -0.123 51.919 52.037 0.009 0.000 0.761 4429 A CB -0.494 18.512 19.000 0.010 0.000 0.801 4429 A HN 0.457 nan 8.150 nan 0.000 0.473 4430 L N 1.523 122.753 121.223 0.010 0.000 2.490 4430 L HA 0.194 4.533 4.340 -0.001 0.000 0.274 4430 L C 0.719 177.594 176.870 0.009 0.000 1.201 4430 L CA 0.168 55.014 54.840 0.011 0.000 0.869 4430 L CB 0.562 42.628 42.059 0.011 0.000 1.123 4430 L HN 0.470 nan 8.230 nan 0.000 0.484 4431 S N 1.313 117.019 115.700 0.010 0.000 2.651 4431 S HA 0.611 5.081 4.470 -0.001 0.000 0.279 4431 S C 0.438 175.044 174.600 0.011 0.000 1.148 4431 S CA -0.283 57.922 58.200 0.009 0.000 0.837 4431 S CB 1.651 64.856 63.200 0.008 0.000 1.138 4431 S HN 0.598 nan 8.310 nan 0.000 0.478 4432 A N 0.594 123.419 122.820 0.009 0.000 1.978 4432 A HA -0.068 4.251 4.320 -0.001 0.000 0.220 4432 A C 1.947 179.540 177.584 0.014 0.000 1.170 4432 A CA 1.335 53.379 52.037 0.011 0.000 0.636 4432 A CB -0.846 18.160 19.000 0.009 0.000 0.810 4432 A HN 0.731 nan 8.150 nan 0.000 0.448 4433 Q N 0.119 119.926 119.800 0.013 0.000 2.436 4433 Q HA -0.091 4.249 4.340 -0.001 0.000 0.209 4433 Q C 0.390 176.400 176.000 0.017 0.000 0.965 4433 Q CA 0.939 56.751 55.803 0.014 0.000 0.910 4433 Q CB -0.190 28.555 28.738 0.011 0.000 0.980 4433 Q HN 0.658 nan 8.270 nan 0.000 0.491 4434 D N -0.182 120.229 120.400 0.018 0.000 2.339 4434 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 4434 D C 0.407 176.724 176.300 0.028 0.000 1.050 4434 D CA 0.104 54.117 54.000 0.022 0.000 0.856 4434 D CB 0.605 41.418 40.800 0.021 0.000 0.922 4434 D HN 0.197 nan 8.370 nan 0.000 0.518 4435 L N 0.777 122.016 121.223 0.028 0.000 2.371 4435 L HA 0.430 4.770 4.340 -0.001 0.000 0.272 4435 L C 1.121 178.013 176.870 0.036 0.000 1.124 4435 L CA -0.530 54.330 54.840 0.034 0.000 0.816 4435 L CB 1.392 43.468 42.059 0.029 0.000 1.129 4435 L HN -0.138 nan 8.230 nan 0.000 0.448 4436 G N 1.120 109.947 108.800 0.045 0.000 2.471 4436 G HA2 0.481 4.440 3.960 -0.001 0.000 0.332 4436 G HA3 0.481 4.440 3.960 -0.001 0.000 0.332 4436 G C -1.247 173.680 174.900 0.046 0.000 1.176 4436 G CA -0.459 44.667 45.100 0.044 0.000 0.949 4436 G HN 0.520 nan 8.290 nan 0.000 0.488 4437 D N -0.179 120.245 120.400 0.040 0.000 2.248 4437 D HA 0.621 5.260 4.640 -0.001 0.000 0.246 4437 D C -0.286 176.034 176.300 0.033 0.000 1.027 4437 D CA 0.042 54.062 54.000 0.034 0.000 0.853 4437 D CB 2.137 42.953 40.800 0.026 0.000 1.243 4437 D HN 0.580 nan 8.370 nan 0.000 0.462 4438 A N 0.425 123.266 122.820 0.035 0.000 2.486 4438 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 4438 A C 0.928 178.527 177.584 0.026 0.000 1.048 4438 A CA -0.419 51.639 52.037 0.035 0.000 0.696 4438 A CB 1.718 20.755 19.000 0.062 0.000 1.278 4438 A HN 0.500 nan 8.150 nan 0.000 0.405 4439 G N 0.224 109.034 108.800 0.016 0.000 2.404 4439 G HA2 0.291 4.250 3.960 -0.001 0.000 0.215 4439 G HA3 0.291 4.250 3.960 -0.001 0.000 0.215 4439 G C 0.306 175.218 174.900 0.021 0.000 1.174 4439 G CA 1.682 46.787 45.100 0.009 0.000 0.780 4439 G HN 1.159 nan 8.290 nan 0.000 0.537 4440 L N -0.049 121.196 121.223 0.036 0.000 2.493 4440 L HA 0.647 4.987 4.340 -0.001 0.000 0.265 4440 L C -1.354 175.564 176.870 0.079 0.000 0.954 4440 L CA -0.807 54.060 54.840 0.046 0.000 0.844 4440 L CB 2.579 44.658 42.059 0.033 0.000 1.302 4440 L HN -0.120 nan 8.230 nan 0.000 0.405 4441 V N 4.427 124.391 119.914 0.084 0.000 2.376 4441 V HA 0.638 4.758 4.120 -0.001 0.000 0.287 4441 V C -0.538 175.620 176.094 0.106 0.000 1.015 4441 V CA -0.441 61.932 62.300 0.122 0.000 0.834 4441 V CB 1.419 33.319 31.823 0.128 0.000 1.001 4441 V HN 0.829 nan 8.190 nan 0.000 0.428 4442 E N 3.155 123.442 120.200 0.145 0.000 2.308 4442 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 4442 E C -1.019 175.687 176.600 0.177 0.000 0.890 4442 E CA -0.655 55.816 56.400 0.119 0.000 0.754 4442 E CB 2.194 31.938 29.700 0.073 0.000 1.207 4442 E HN 0.751 nan 8.360 nan 0.000 0.426 4443 E N 4.330 124.604 120.200 0.123 0.000 2.152 4443 E HA 0.237 4.586 4.350 -0.001 0.000 0.285 4443 E C -0.907 175.770 176.600 0.127 0.000 1.043 4443 E CA -0.206 56.274 56.400 0.133 0.000 0.839 4443 E CB 0.678 30.425 29.700 0.078 0.000 1.069 4443 E HN 0.351 nan 8.360 nan 0.000 0.399 4444 R N 3.701 124.321 120.500 0.199 0.000 2.686 4444 R HA 0.396 4.736 4.340 -0.001 0.000 0.283 4444 R C -0.818 175.579 176.300 0.162 0.000 0.978 4444 R CA -0.909 55.280 56.100 0.148 0.000 0.897 4444 R CB 2.021 32.381 30.300 0.101 0.000 1.192 4444 R HN 0.333 nan 8.270 nan 0.000 0.457 4445 K N 2.679 123.135 120.400 0.094 0.000 2.367 4445 K HA 0.406 4.726 4.320 -0.001 0.000 0.263 4445 K C -0.886 175.757 176.600 0.072 0.000 1.000 4445 K CA -0.489 55.846 56.287 0.080 0.000 0.891 4445 K CB 1.216 33.745 32.500 0.049 0.000 1.117 4445 K HN 0.290 nan 8.250 nan 0.000 0.443 4446 I N 1.687 122.312 120.570 0.092 0.000 2.382 4446 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 4446 I C 0.574 176.723 176.117 0.054 0.000 1.002 4446 I CA -0.054 61.292 61.300 0.076 0.000 1.135 4446 I CB 1.908 39.979 38.000 0.118 0.000 1.288 4446 I HN 0.667 nan 8.210 nan 0.000 0.448 4447 S N 4.433 120.154 115.700 0.036 0.000 3.672 4447 S HA -0.181 4.288 4.470 -0.001 0.000 0.319 4447 S C 1.264 175.877 174.600 0.022 0.000 1.151 4447 S CA 1.370 59.585 58.200 0.025 0.000 0.911 4447 S CB -1.248 61.966 63.200 0.023 0.000 0.939 4447 S HN 1.697 nan 8.310 nan 0.000 0.524 4448 G N -0.019 108.796 108.800 0.024 0.000 2.383 4448 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.229 4448 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.229 4448 G C -0.294 174.622 174.900 0.026 0.000 1.089 4448 G CA 0.291 45.404 45.100 0.021 0.000 0.640 4448 G HN 0.688 nan 8.290 nan 0.000 0.510 4449 D N 1.268 121.686 120.400 0.029 0.000 2.345 4449 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 4449 D C 0.447 176.774 176.300 0.045 0.000 1.108 4449 D CA 0.647 54.665 54.000 0.029 0.000 0.894 4449 D CB 1.573 42.386 40.800 0.021 0.000 1.203 4449 D HN 0.259 nan 8.370 nan 0.000 0.430 4450 S N 2.051 117.776 115.700 0.041 0.000 2.523 4450 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 4450 S C -0.131 174.499 174.600 0.050 0.000 1.281 4450 S CA -0.729 57.505 58.200 0.056 0.000 1.050 4450 S CB 0.048 63.275 63.200 0.046 0.000 0.937 4450 S HN 0.406 nan 8.310 nan 0.000 0.492 4451 M N 4.536 124.183 119.600 0.078 0.000 2.421 4451 M HA 0.524 5.003 4.480 -0.001 0.000 0.287 4451 M C -1.867 174.471 176.300 0.064 0.000 1.183 4451 M CA -0.642 54.666 55.300 0.013 0.000 0.916 4451 M CB 1.086 33.638 32.600 -0.079 0.000 1.701 4451 M HN 0.419 nan 8.290 nan 0.000 0.470 4452 I N 2.919 123.493 120.570 0.006 0.000 2.336 4452 I HA 0.421 4.591 4.170 -0.001 0.000 0.292 4452 I C -1.169 174.928 176.117 -0.033 0.000 0.991 4452 I CA -0.392 60.974 61.300 0.110 0.000 1.227 4452 I CB 1.113 39.233 38.000 0.199 0.000 1.366 4452 I HN 0.503 nan 8.210 nan 0.000 0.466 4453 F N 5.828 125.815 119.950 0.063 0.000 2.391 4453 F HA 0.352 4.878 4.527 -0.001 0.000 0.359 4453 F C 0.137 175.971 175.800 0.056 0.000 1.122 4453 F CA -0.647 57.379 58.000 0.042 0.000 1.120 4453 F CB 1.289 40.305 39.000 0.027 0.000 1.142 4453 F HN 0.031 nan 8.300 nan 0.000 0.483 4454 V N 4.383 124.388 119.914 0.152 0.000 2.293 4454 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 4454 V C -0.307 175.846 176.094 0.098 0.000 1.021 4454 V CA -0.559 61.812 62.300 0.118 0.000 0.815 4454 V CB 0.487 32.349 31.823 0.066 0.000 1.025 4454 V HN 0.824 nan 8.190 nan 0.000 0.448 4455 E N 3.046 123.310 120.200 0.107 0.000 2.433 4455 E HA 0.644 4.993 4.350 -0.001 0.000 0.273 4455 E C -0.691 175.937 176.600 0.048 0.000 0.950 4455 E CA -0.872 55.578 56.400 0.083 0.000 0.796 4455 E CB 1.616 31.383 29.700 0.110 0.000 1.330 4455 E HN 0.194 nan 8.360 nan 0.000 0.455 4456 E N -0.957 119.260 120.200 0.028 0.000 2.513 4456 E HA -0.161 4.188 4.350 -0.001 0.000 0.257 4456 E C -0.490 176.104 176.600 -0.010 0.000 1.098 4456 E CA 0.678 57.081 56.400 0.005 0.000 0.752 4456 E CB -2.479 27.224 29.700 0.004 0.000 1.324 4456 E HN 0.593 nan 8.360 nan 0.000 0.403 4457 C N 0.471 119.767 119.300 -0.007 0.000 2.705 4457 C HA 0.071 4.531 4.460 -0.001 0.000 0.382 4457 C C 2.362 177.308 174.990 -0.073 0.000 1.322 4457 C CA -0.067 58.940 59.018 -0.018 0.000 2.290 4457 C CB 0.423 28.164 27.740 0.002 0.000 2.650 4457 C HN 0.408 nan 8.230 nan 0.000 0.695 4458 K N 0.303 120.641 120.400 -0.102 0.000 1.969 4458 K HA -0.106 4.213 4.320 -0.001 0.000 0.216 4458 K C 0.416 176.718 176.600 -0.497 0.000 1.048 4458 K CA 1.469 57.591 56.287 -0.275 0.000 0.948 4458 K CB -0.114 32.276 32.500 -0.184 0.000 0.726 4458 K HN 0.670 nan 8.250 nan 0.000 0.442 4459 H N 0.247 119.323 119.070 0.010 0.000 2.448 4459 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 4459 H C -2.505 172.827 175.328 0.006 0.000 1.391 4459 H CA -2.013 54.039 56.048 0.007 0.000 1.477 4459 H CB 0.613 30.379 29.762 0.006 0.000 1.520 4459 H HN 0.189 nan 8.280 nan 0.000 0.502 4460 P HA 0.069 nan 4.420 nan 0.000 0.271 4460 P C 0.682 178.010 177.300 0.047 0.000 1.226 4460 P CA -0.405 62.722 63.100 0.045 0.000 0.765 4460 P CB 1.673 33.387 31.700 0.023 0.000 0.835 4461 K N 0.938 121.359 120.400 0.034 0.000 2.358 4461 K HA 0.375 4.695 4.320 -0.001 0.000 0.197 4461 K C 0.598 177.204 176.600 0.010 0.000 1.025 4461 K CA 0.004 56.305 56.287 0.023 0.000 1.104 4461 K CB 0.739 33.250 32.500 0.019 0.000 0.855 4461 K HN 0.551 nan 8.250 nan 0.000 0.531 4462 A N 0.899 123.722 122.820 0.005 0.000 2.486 4462 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 4462 A C -0.558 177.023 177.584 -0.005 0.000 1.048 4462 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 4462 A CB 1.516 20.505 19.000 -0.019 0.000 1.278 4462 A HN -0.063 nan 8.150 nan 0.000 0.405 4463 V N -1.217 118.694 119.914 -0.006 0.000 3.102 4463 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 4463 V C -0.434 175.653 176.094 -0.011 0.000 1.135 4463 V CA -0.621 61.678 62.300 -0.002 0.000 1.022 4463 V CB 1.639 33.467 31.823 0.008 0.000 1.056 4463 V HN 0.900 nan 8.190 nan 0.000 0.436 4464 T N 3.333 117.883 114.554 -0.005 0.000 2.886 4464 T HA 0.580 4.930 4.350 -0.001 0.000 0.292 4464 T C -0.632 174.072 174.700 0.006 0.000 1.012 4464 T CA -0.259 61.831 62.100 -0.017 0.000 0.982 4464 T CB 1.515 70.353 68.868 -0.051 0.000 1.018 4464 T HN 0.982 nan 8.240 nan 0.000 0.451 4465 M N 4.257 123.857 119.600 0.001 0.000 2.066 4465 M HA 0.541 5.020 4.480 -0.001 0.000 0.340 4465 M C -1.502 174.806 176.300 0.014 0.000 1.053 4465 M CA -1.103 54.206 55.300 0.015 0.000 0.983 4465 M CB 0.572 33.178 32.600 0.010 0.000 1.520 4465 M HN 0.476 nan 8.290 nan 0.000 0.428 4466 L N 7.577 128.823 121.223 0.039 0.000 2.255 4466 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 4466 L C -1.232 175.662 176.870 0.041 0.000 1.046 4466 L CA 0.063 54.931 54.840 0.047 0.000 0.816 4466 L CB 0.515 42.640 42.059 0.110 0.000 1.197 4466 L HN 0.673 nan 8.230 nan 0.000 0.427 4467 I N 5.884 126.469 120.570 0.025 0.000 2.331 4467 I HA 0.438 4.607 4.170 -0.001 0.000 0.292 4467 I C 0.136 176.266 176.117 0.022 0.000 0.998 4467 I CA -0.586 60.726 61.300 0.021 0.000 1.267 4467 I CB 0.582 38.589 38.000 0.013 0.000 1.386 4467 I HN 0.526 nan 8.210 nan 0.000 0.476 4468 R N 4.122 124.636 120.500 0.023 0.000 2.873 4468 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 4468 R C -0.272 176.038 176.300 0.017 0.000 1.026 4468 R CA -1.041 55.071 56.100 0.021 0.000 1.002 4468 R CB 1.944 32.259 30.300 0.025 0.000 1.174 4468 R HN 0.864 nan 8.270 nan 0.000 0.488 4469 G N -1.034 107.775 108.800 0.015 0.000 2.340 4469 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 4469 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 4469 G C -0.074 174.834 174.900 0.013 0.000 1.498 4469 G CA -0.249 44.859 45.100 0.014 0.000 0.847 4469 G HN 0.377 nan 8.290 nan 0.000 0.594 4470 T N -0.552 114.011 114.554 0.015 0.000 3.035 4470 T HA 0.316 4.665 4.350 -0.001 0.000 0.268 4470 T C 0.776 175.485 174.700 0.014 0.000 1.109 4470 T CA 2.113 64.221 62.100 0.014 0.000 1.119 4470 T CB -0.236 68.642 68.868 0.016 0.000 0.900 4470 T HN 0.699 nan 8.240 nan 0.000 0.503 4471 T N 0.191 114.755 114.554 0.016 0.000 2.894 4471 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 4471 T C 0.284 174.980 174.700 -0.007 0.000 1.208 4471 T CA -0.682 61.426 62.100 0.013 0.000 1.016 4471 T CB 2.160 71.053 68.868 0.043 0.000 1.192 4471 T HN -0.078 nan 8.240 nan 0.000 0.491 4472 E N 0.706 120.869 120.200 -0.061 0.000 2.085 4472 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 4472 E C 1.566 178.084 176.600 -0.136 0.000 0.994 4472 E CA 1.836 58.157 56.400 -0.133 0.000 0.801 4472 E CB -0.059 29.500 29.700 -0.234 0.000 0.743 4472 E HN 0.608 nan 8.360 nan 0.000 0.453 4473 H N -0.885 118.188 119.070 0.005 0.000 2.495 4473 H HA 0.019 4.574 4.556 -0.001 0.000 0.287 4473 H C 2.035 177.366 175.328 0.005 0.000 1.033 4473 H CA 1.146 57.197 56.048 0.004 0.000 1.307 4473 H CB 0.113 29.877 29.762 0.004 0.000 1.401 4473 H HN 0.113 nan 8.280 nan 0.000 0.555 4474 V N 1.970 121.949 119.914 0.109 0.000 2.283 4474 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 4474 V C 2.656 178.776 176.094 0.043 0.000 1.039 4474 V CA 1.671 64.010 62.300 0.065 0.000 1.016 4474 V CB -0.520 31.331 31.823 0.046 0.000 0.650 4474 V HN 0.401 nan 8.190 nan 0.000 0.449 4475 I N -1.076 119.510 120.570 0.026 0.000 2.756 4475 I HA -0.151 4.019 4.170 -0.001 0.000 0.262 4475 I C 2.240 178.366 176.117 0.015 0.000 1.225 4475 I CA 1.862 63.171 61.300 0.015 0.000 1.472 4475 I CB -0.499 37.502 38.000 0.003 0.000 1.094 4475 I HN 0.422 nan 8.210 nan 0.000 0.454 4476 E N 1.797 122.011 120.200 0.022 0.000 2.046 4476 E HA -0.272 4.077 4.350 -0.001 0.000 0.190 4476 E C 2.232 178.858 176.600 0.042 0.000 0.982 4476 E CA 1.063 57.483 56.400 0.033 0.000 0.800 4476 E CB -0.144 29.592 29.700 0.061 0.000 0.756 4476 E HN 0.542 nan 8.360 nan 0.000 0.449 4477 E N 0.596 120.828 120.200 0.054 0.000 2.153 4477 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 4477 E C 2.093 178.710 176.600 0.029 0.000 0.988 4477 E CA 1.040 57.465 56.400 0.041 0.000 0.811 4477 E CB 0.102 29.828 29.700 0.043 0.000 0.746 4477 E HN 0.215 nan 8.360 nan 0.000 0.466 4478 V N 1.373 121.304 119.914 0.027 0.000 2.358 4478 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 4478 V C 2.666 178.770 176.094 0.017 0.000 1.047 4478 V CA 1.629 63.942 62.300 0.021 0.000 1.035 4478 V CB -0.927 30.907 31.823 0.020 0.000 0.658 4478 V HN 0.359 nan 8.190 nan 0.000 0.452 4479 A N 0.508 123.338 122.820 0.015 0.000 1.908 4479 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 4479 A C 2.310 179.900 177.584 0.011 0.000 1.181 4479 A CA 2.434 54.477 52.037 0.010 0.000 0.627 4479 A CB -0.552 18.452 19.000 0.007 0.000 0.818 4479 A HN 0.469 nan 8.150 nan 0.000 0.445 4480 R N 0.035 120.544 120.500 0.014 0.000 2.075 4480 R HA 0.011 4.350 4.340 -0.001 0.000 0.232 4480 R C 2.174 178.482 176.300 0.012 0.000 1.126 4480 R CA 1.885 57.992 56.100 0.013 0.000 0.963 4480 R CB -0.893 29.417 30.300 0.016 0.000 0.858 4480 R HN 0.393 nan 8.270 nan 0.000 0.435 4481 A N 0.134 122.963 122.820 0.015 0.000 1.883 4481 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 4481 A C 2.225 179.817 177.584 0.013 0.000 1.186 4481 A CA 2.075 54.122 52.037 0.016 0.000 0.624 4481 A CB -0.971 18.041 19.000 0.019 0.000 0.822 4481 A HN 0.330 nan 8.150 nan 0.000 0.444 4482 V N -2.432 117.489 119.914 0.012 0.000 2.871 4482 V HA -0.118 4.001 4.120 -0.001 0.000 0.256 4482 V C 1.914 178.013 176.094 0.007 0.000 1.082 4482 V CA 2.020 64.326 62.300 0.010 0.000 1.105 4482 V CB -0.664 31.165 31.823 0.009 0.000 0.713 4482 V HN 0.549 nan 8.190 nan 0.000 0.473 4483 D N 1.518 121.922 120.400 0.007 0.000 2.104 4483 D HA -0.263 4.377 4.640 -0.001 0.000 0.194 4483 D C 1.626 177.929 176.300 0.005 0.000 0.994 4483 D CA 2.301 56.303 54.000 0.004 0.000 0.830 4483 D CB -0.069 40.733 40.800 0.004 0.000 0.959 4483 D HN 0.602 nan 8.370 nan 0.000 0.452 4484 D N 0.110 120.514 120.400 0.007 0.000 2.144 4484 D HA -0.061 4.578 4.640 -0.001 0.000 0.200 4484 D C 2.040 178.344 176.300 0.007 0.000 0.978 4484 D CA 1.372 55.376 54.000 0.007 0.000 0.833 4484 D CB -0.263 40.542 40.800 0.008 0.000 0.961 4484 D HN 0.255 nan 8.370 nan 0.000 0.470 4485 A N 0.386 123.211 122.820 0.008 0.000 1.908 4485 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 4485 A C 2.365 179.953 177.584 0.006 0.000 1.181 4485 A CA 1.184 53.226 52.037 0.008 0.000 0.627 4485 A CB -0.841 18.164 19.000 0.009 0.000 0.818 4485 A HN 0.152 nan 8.150 nan 0.000 0.445 4486 V N -0.114 119.803 119.914 0.005 0.000 2.295 4486 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 4486 V C 2.830 178.926 176.094 0.004 0.000 1.049 4486 V CA 2.012 64.314 62.300 0.004 0.000 1.024 4486 V CB -1.496 30.329 31.823 0.003 0.000 0.648 4486 V HN 0.618 nan 8.190 nan 0.000 0.447 4487 G N 0.458 109.260 108.800 0.004 0.000 2.446 4487 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 4487 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 4487 G C 1.724 176.626 174.900 0.004 0.000 1.168 4487 G CA 1.666 46.767 45.100 0.003 0.000 0.771 4487 G HN 0.594 nan 8.290 nan 0.000 0.551 4488 V N -1.441 118.476 119.914 0.005 0.000 2.591 4488 V HA -0.010 4.110 4.120 -0.001 0.000 0.249 4488 V C 2.653 178.750 176.094 0.005 0.000 1.053 4488 V CA 1.369 63.672 62.300 0.005 0.000 1.068 4488 V CB -0.486 31.341 31.823 0.007 0.000 0.689 4488 V HN 0.132 nan 8.190 nan 0.000 0.462 4489 V N 1.991 121.908 119.914 0.005 0.000 2.453 4489 V HA -0.024 4.095 4.120 -0.001 0.000 0.247 4489 V C 2.904 179.001 176.094 0.004 0.000 1.048 4489 V CA 2.138 64.441 62.300 0.005 0.000 1.049 4489 V CB -1.299 30.527 31.823 0.005 0.000 0.672 4489 V HN 0.625 nan 8.190 nan 0.000 0.457 4490 G N -1.117 107.686 108.800 0.004 0.000 2.422 4490 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 4490 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 4490 G C 1.722 176.624 174.900 0.003 0.000 1.146 4490 G CA 1.291 46.393 45.100 0.003 0.000 0.769 4490 G HN 0.536 nan 8.290 nan 0.000 0.547 4491 C N 0.541 119.843 119.300 0.003 0.000 2.429 4491 C HA -0.024 4.436 4.460 -0.001 0.000 0.277 4491 C C 3.208 178.200 174.990 0.004 0.000 1.262 4491 C CA 1.505 60.525 59.018 0.003 0.000 1.733 4491 C CB -1.036 26.706 27.740 0.004 0.000 2.010 4491 C HN 0.427 nan 8.230 nan 0.000 0.483 4492 T N 1.102 115.658 114.554 0.004 0.000 2.833 4492 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 4492 T C 1.566 176.268 174.700 0.003 0.000 1.054 4492 T CA 1.205 63.307 62.100 0.004 0.000 1.135 4492 T CB -0.212 68.659 68.868 0.004 0.000 0.869 4492 T HN 0.515 nan 8.240 nan 0.000 0.466 4493 I N 0.462 121.034 120.570 0.003 0.000 2.480 4493 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 4493 I C 2.519 178.637 176.117 0.002 0.000 1.124 4493 I CA 0.941 62.243 61.300 0.003 0.000 1.444 4493 I CB -0.212 37.790 38.000 0.003 0.000 1.098 4493 I HN 0.227 nan 8.210 nan 0.000 0.428 4494 E N 0.132 120.334 120.200 0.002 0.000 2.110 4494 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 4494 E C 0.532 177.134 176.600 0.002 0.000 0.988 4494 E CA 0.829 57.230 56.400 0.002 0.000 0.804 4494 E CB 0.166 29.867 29.700 0.002 0.000 0.745 4494 E HN 0.257 nan 8.360 nan 0.000 0.458 4495 D N -1.046 119.356 120.400 0.002 0.000 2.620 4495 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 4495 D C -0.194 176.108 176.300 0.003 0.000 1.207 4495 D CA -0.363 53.638 54.000 0.002 0.000 0.884 4495 D CB 1.596 42.397 40.800 0.002 0.000 1.262 4495 D HN 0.056 nan 8.370 nan 0.000 0.552 4496 G N 3.397 112.198 108.800 0.002 0.000 3.340 4496 G HA2 0.084 4.043 3.960 -0.001 0.000 0.240 4496 G HA3 0.084 4.043 3.960 -0.001 0.000 0.240 4496 G C 0.405 175.307 174.900 0.003 0.000 1.327 4496 G CA -0.138 44.963 45.100 0.003 0.000 1.170 4496 G HN 0.293 nan 8.290 nan 0.000 0.520 4497 R N -0.462 120.040 120.500 0.004 0.000 2.621 4497 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 4497 R C -0.761 175.543 176.300 0.006 0.000 0.969 4497 R CA -0.789 55.314 56.100 0.005 0.000 0.887 4497 R CB 2.043 32.346 30.300 0.005 0.000 1.180 4497 R HN 0.264 nan 8.270 nan 0.000 0.450 4498 I N -1.054 119.520 120.570 0.007 0.000 3.002 4498 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 4498 I C -0.539 175.586 176.117 0.012 0.000 1.087 4498 I CA -1.188 60.117 61.300 0.009 0.000 1.017 4498 I CB 2.084 40.089 38.000 0.009 0.000 1.226 4498 I HN 0.359 nan 8.210 nan 0.000 0.443 4499 V N -0.142 119.780 119.914 0.015 0.000 2.962 4499 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 4499 V C 0.060 176.169 176.094 0.024 0.000 1.099 4499 V CA -0.467 61.846 62.300 0.021 0.000 0.971 4499 V CB 1.125 32.960 31.823 0.020 0.000 1.028 4499 V HN 1.139 nan 8.190 nan 0.000 0.430 4500 S N 2.183 117.903 115.700 0.033 0.000 2.562 4500 S HA 0.650 5.119 4.470 -0.001 0.000 0.281 4500 S C 0.589 175.209 174.600 0.033 0.000 1.333 4500 S CA 0.160 58.383 58.200 0.037 0.000 1.052 4500 S CB 0.868 64.099 63.200 0.052 0.000 0.884 4500 S HN 1.772 nan 8.310 nan 0.000 0.506 4501 G N 0.575 109.395 108.800 0.032 0.000 2.630 4501 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 4501 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 4501 G C 0.931 175.848 174.900 0.027 0.000 1.434 4501 G CA -0.540 44.576 45.100 0.027 0.000 1.057 4501 G HN 2.040 nan 8.290 nan 0.000 0.570 4502 G N -1.914 106.902 108.800 0.026 0.000 2.225 4502 G HA2 0.231 4.191 3.960 -0.001 0.000 0.267 4502 G HA3 0.231 4.191 3.960 -0.001 0.000 0.267 4502 G C 1.478 176.375 174.900 -0.006 0.000 1.024 4502 G CA 1.215 46.327 45.100 0.020 0.000 0.784 4502 G HN 2.457 nan 8.290 nan 0.000 0.507 4503 G N -1.401 107.386 108.800 -0.021 0.000 2.162 4503 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 4503 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 4503 G C 1.510 176.358 174.900 -0.086 0.000 0.976 4503 G CA 1.692 46.761 45.100 -0.053 0.000 0.655 4503 G HN 1.957 nan 8.290 nan 0.000 0.533 4504 S N 0.119 115.787 115.700 -0.053 0.000 2.370 4504 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 4504 S C 2.800 177.315 174.600 -0.141 0.000 1.033 4504 S CA 2.847 61.002 58.200 -0.076 0.000 1.011 4504 S CB -0.592 62.660 63.200 0.086 0.000 0.852 4504 S HN 1.399 nan 8.310 nan 0.000 0.457 4505 T N 0.024 114.545 114.554 -0.054 0.000 2.614 4505 T HA -0.095 4.254 4.350 -0.001 0.000 0.263 4505 T C 1.568 176.214 174.700 -0.089 0.000 1.055 4505 T CA 1.624 63.699 62.100 -0.041 0.000 1.162 4505 T CB -1.065 67.793 68.868 -0.017 0.000 0.863 4505 T HN 0.417 nan 8.240 nan 0.000 0.414 4506 E N 0.936 121.081 120.200 -0.092 0.000 2.187 4506 E HA -0.076 4.273 4.350 -0.001 0.000 0.199 4506 E C 2.239 178.758 176.600 -0.135 0.000 1.004 4506 E CA 0.968 57.307 56.400 -0.102 0.000 0.813 4506 E CB -0.704 28.936 29.700 -0.099 0.000 0.736 4506 E HN 0.436 nan 8.360 nan 0.000 0.468 4507 V N 0.433 120.213 119.914 -0.223 0.000 2.453 4507 V HA -0.200 3.920 4.120 -0.001 0.000 0.247 4507 V C 2.262 178.169 176.094 -0.311 0.000 1.048 4507 V CA 1.759 63.876 62.300 -0.305 0.000 1.049 4507 V CB -0.365 31.176 31.823 -0.471 0.000 0.672 4507 V HN 0.217 nan 8.190 nan 0.000 0.457 4508 E N 0.784 120.772 120.200 -0.354 0.000 2.077 4508 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 4508 E C 2.017 178.628 176.600 0.019 0.000 0.989 4508 E CA 1.571 57.971 56.400 0.000 0.000 0.800 4508 E CB -0.419 29.366 29.700 0.142 0.000 0.746 4508 E HN 0.553 nan 8.360 nan 0.000 0.452 4509 L N -0.008 121.205 121.223 -0.017 0.000 2.046 4509 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 4509 L C 2.666 179.554 176.870 0.031 0.000 1.077 4509 L CA 1.354 56.203 54.840 0.015 0.000 0.747 4509 L CB -0.669 41.394 42.059 0.006 0.000 0.896 4509 L HN 0.195 nan 8.230 nan 0.000 0.432 4510 S N -0.315 115.382 115.700 -0.006 0.000 2.356 4510 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 4510 S C 2.126 176.749 174.600 0.038 0.000 1.032 4510 S CA 1.257 59.462 58.200 0.008 0.000 1.005 4510 S CB -0.016 63.167 63.200 -0.027 0.000 0.867 4510 S HN 0.212 nan 8.310 nan 0.000 0.449 4511 M N 0.890 120.512 119.600 0.037 0.000 2.117 4511 M HA 0.032 4.512 4.480 -0.001 0.000 0.262 4511 M C 1.998 178.344 176.300 0.076 0.000 1.065 4511 M CA 1.467 56.805 55.300 0.064 0.000 1.114 4511 M CB -0.997 31.660 32.600 0.096 0.000 1.361 4511 M HN 0.239 nan 8.290 nan 0.000 0.408 4512 K N -0.006 120.441 120.400 0.079 0.000 2.211 4512 K HA 0.193 4.513 4.320 -0.001 0.000 0.201 4512 K C 2.067 178.737 176.600 0.117 0.000 1.052 4512 K CA 0.569 56.907 56.287 0.085 0.000 0.973 4512 K CB -0.227 32.311 32.500 0.064 0.000 0.766 4512 K HN 0.352 nan 8.250 nan 0.000 0.466 4513 L N 0.349 121.644 121.223 0.120 0.000 2.240 4513 L HA -0.011 4.328 4.340 -0.001 0.000 0.211 4513 L C 2.300 179.295 176.870 0.209 0.000 1.106 4513 L CA 0.751 55.704 54.840 0.189 0.000 0.793 4513 L CB -0.196 41.979 42.059 0.192 0.000 0.927 4513 L HN 0.076 nan 8.230 nan 0.000 0.446 4514 R N 0.036 120.620 120.500 0.140 0.000 2.148 4514 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 4514 R C 1.977 178.334 176.300 0.095 0.000 1.088 4514 R CA 0.979 57.143 56.100 0.107 0.000 0.985 4514 R CB -0.051 30.294 30.300 0.075 0.000 0.880 4514 R HN 0.446 nan 8.270 nan 0.000 0.451 4515 E N -0.499 119.766 120.200 0.109 0.000 2.112 4515 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 4515 E C 1.436 178.106 176.600 0.116 0.000 0.979 4515 E CA 0.674 57.130 56.400 0.094 0.000 0.814 4515 E CB -0.051 29.702 29.700 0.090 0.000 0.762 4515 E HN 0.280 nan 8.360 nan 0.000 0.460 4516 Y N 1.595 121.911 120.300 0.027 0.000 2.224 4516 Y HA -0.208 4.341 4.550 -0.001 0.000 0.289 4516 Y C 2.180 178.091 175.900 0.019 0.000 1.146 4516 Y CA 1.258 59.370 58.100 0.020 0.000 1.182 4516 Y CB -0.384 38.087 38.460 0.017 0.000 0.983 4516 Y HN -0.012 nan 8.280 nan 0.000 0.524 4517 A N 0.242 123.066 122.820 0.006 0.000 1.940 4517 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 4517 A C 2.119 179.649 177.584 -0.090 0.000 1.176 4517 A CA 1.862 53.865 52.037 -0.055 0.000 0.631 4517 A CB -0.533 18.495 19.000 0.047 0.000 0.814 4517 A HN 0.523 nan 8.150 nan 0.000 0.446 4518 E N -0.498 119.671 120.200 -0.051 0.000 2.072 4518 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 4518 E C 2.186 178.740 176.600 -0.077 0.000 0.985 4518 E CA 1.172 57.546 56.400 -0.043 0.000 0.801 4518 E CB -0.696 28.998 29.700 -0.010 0.000 0.750 4518 E HN 0.591 nan 8.360 nan 0.000 0.452 4519 G N 1.301 110.031 108.800 -0.117 0.000 2.422 4519 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 4519 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 4519 G C 1.584 176.375 174.900 -0.182 0.000 1.140 4519 G CA 0.250 45.270 45.100 -0.135 0.000 0.775 4519 G HN 0.110 nan 8.290 nan 0.000 0.545 4520 I N 0.209 120.617 120.570 -0.270 0.000 2.233 4520 I HA 0.025 4.195 4.170 -0.001 0.000 0.243 4520 I C 1.677 177.717 176.117 -0.129 0.000 1.093 4520 I CA 1.027 62.181 61.300 -0.243 0.000 1.380 4520 I CB -1.117 36.696 38.000 -0.311 0.000 1.067 4520 I HN 0.300 nan 8.210 nan 0.000 0.413 4521 S N -1.112 114.527 115.700 -0.101 0.000 3.513 4521 S HA -0.107 4.363 4.470 -0.001 0.000 0.636 4521 S C 0.750 175.323 174.600 -0.046 0.000 2.452 4521 S CA 1.348 59.513 58.200 -0.059 0.000 2.644 4521 S CB -1.364 61.806 63.200 -0.050 0.000 0.331 4521 S HN 1.420 nan 8.310 nan 0.000 1.787 4522 G N 1.121 109.903 108.800 -0.031 0.000 2.578 4522 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 4522 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 4522 G C 0.341 175.233 174.900 -0.014 0.000 1.271 4522 G CA 1.639 46.726 45.100 -0.022 0.000 0.941 4522 G HN 1.880 nan 8.290 nan 0.000 0.564 4523 R N 0.403 120.897 120.500 -0.009 0.000 2.236 4523 R HA 0.228 4.568 4.340 -0.001 0.000 0.208 4523 R C 2.003 178.302 176.300 -0.001 0.000 1.036 4523 R CA 1.645 57.745 56.100 0.000 0.000 1.001 4523 R CB -0.201 30.103 30.300 0.006 0.000 0.896 4523 R HN 0.665 nan 8.270 nan 0.000 0.464 4524 E N 1.569 121.761 120.200 -0.013 0.000 2.204 4524 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 4524 E C 1.809 178.404 176.600 -0.008 0.000 0.989 4524 E CA 1.434 57.824 56.400 -0.017 0.000 0.824 4524 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 4524 E HN 0.596 nan 8.360 nan 0.000 0.477 4525 Q N 0.684 120.474 119.800 -0.017 0.000 2.230 4525 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 4525 Q C 1.985 178.008 176.000 0.038 0.000 0.963 4525 Q CA 0.951 56.748 55.803 -0.009 0.000 0.866 4525 Q CB -0.306 28.417 28.738 -0.024 0.000 0.931 4525 Q HN 0.207 nan 8.270 nan 0.000 0.452 4526 L N 0.347 121.594 121.223 0.041 0.000 2.109 4526 L HA 0.178 4.518 4.340 -0.001 0.000 0.207 4526 L C 2.245 179.184 176.870 0.114 0.000 1.086 4526 L CA 1.796 56.675 54.840 0.065 0.000 0.760 4526 L CB -0.987 41.099 42.059 0.045 0.000 0.910 4526 L HN 0.301 nan 8.230 nan 0.000 0.437 4527 A N -1.151 121.733 122.820 0.107 0.000 1.898 4527 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 4527 A C 2.232 180.026 177.584 0.349 0.000 1.181 4527 A CA 1.944 54.087 52.037 0.177 0.000 0.620 4527 A CB -1.004 18.012 19.000 0.027 0.000 0.819 4527 A HN 0.266 nan 8.150 nan 0.000 0.442 4528 V N -0.177 119.874 119.914 0.228 0.000 2.358 4528 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 4528 V C 2.619 178.872 176.094 0.265 0.000 1.047 4528 V CA 2.152 64.605 62.300 0.254 0.000 1.035 4528 V CB -0.775 31.157 31.823 0.181 0.000 0.658 4528 V HN 0.620 nan 8.190 nan 0.000 0.452 4529 R N 0.081 120.691 120.500 0.184 0.000 2.096 4529 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 4529 R C 2.258 178.644 176.300 0.144 0.000 1.127 4529 R CA 1.546 57.730 56.100 0.142 0.000 0.968 4529 R CB -0.345 30.010 30.300 0.093 0.000 0.861 4529 R HN 0.503 nan 8.270 nan 0.000 0.440 4530 A N 0.033 122.963 122.820 0.183 0.000 1.929 4530 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 4530 A C 1.895 179.550 177.584 0.117 0.000 1.176 4530 A CA 0.822 52.957 52.037 0.164 0.000 0.628 4530 A CB -0.635 18.504 19.000 0.231 0.000 0.816 4530 A HN 0.479 nan 8.150 nan 0.000 0.444 4531 F N 1.152 121.116 119.950 0.023 0.000 2.095 4531 F HA -0.152 4.374 4.527 -0.001 0.000 0.298 4531 F C 2.528 178.259 175.800 -0.115 0.000 1.104 4531 F CA 1.492 59.375 58.000 -0.194 0.000 1.232 4531 F CB -0.363 38.572 39.000 -0.109 0.000 0.987 4531 F HN 0.249 nan 8.300 nan 0.000 0.475 4532 A N -0.436 122.469 122.820 0.142 0.000 1.902 4532 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 4532 A C 1.983 179.533 177.584 -0.056 0.000 1.181 4532 A CA 1.952 54.017 52.037 0.046 0.000 0.623 4532 A CB -1.176 17.895 19.000 0.118 0.000 0.818 4532 A HN 0.498 nan 8.150 nan 0.000 0.443 4533 D N 0.019 120.400 120.400 -0.032 0.000 2.123 4533 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 4533 D C 2.044 178.280 176.300 -0.107 0.000 0.992 4533 D CA 1.619 55.590 54.000 -0.049 0.000 0.833 4533 D CB -0.248 40.545 40.800 -0.012 0.000 0.954 4533 D HN 0.334 nan 8.370 nan 0.000 0.455 4534 A N -0.116 122.597 122.820 -0.179 0.000 1.898 4534 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 4534 A C 2.146 179.572 177.584 -0.263 0.000 1.181 4534 A CA 0.901 52.796 52.037 -0.237 0.000 0.620 4534 A CB -0.670 18.120 19.000 -0.349 0.000 0.819 4534 A HN 0.300 nan 8.150 nan 0.000 0.442 4535 L N 0.219 121.244 121.223 -0.330 0.000 2.191 4535 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 4535 L C 2.141 178.911 176.870 -0.166 0.000 1.103 4535 L CA 1.723 56.398 54.840 -0.275 0.000 0.769 4535 L CB -0.800 41.085 42.059 -0.290 0.000 0.908 4535 L HN 0.482 nan 8.230 nan 0.000 0.438 4536 E N -1.374 118.745 120.200 -0.135 0.000 2.333 4536 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 4536 E C 2.263 178.809 176.600 -0.090 0.000 1.007 4536 E CA 0.729 57.070 56.400 -0.098 0.000 0.845 4536 E CB -0.158 29.498 29.700 -0.074 0.000 0.766 4536 E HN 0.291 nan 8.360 nan 0.000 0.507 4537 V N 1.133 120.987 119.914 -0.101 0.000 2.720 4537 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 4537 V C 1.718 177.765 176.094 -0.078 0.000 1.082 4537 V CA 1.089 63.338 62.300 -0.085 0.000 1.101 4537 V CB -0.206 31.562 31.823 -0.091 0.000 0.693 4537 V HN 0.258 nan 8.190 nan 0.000 0.479 4538 I N 0.602 121.121 120.570 -0.086 0.000 2.162 4538 I HA -0.035 4.135 4.170 -0.001 0.000 0.238 4538 I C 0.221 176.299 176.117 -0.065 0.000 1.076 4538 I CA 1.467 62.722 61.300 -0.074 0.000 1.353 4538 I CB -2.838 35.115 38.000 -0.078 0.000 1.063 4538 I HN 0.311 nan 8.210 nan 0.000 0.408 4539 P HA -0.171 nan 4.420 nan 0.000 0.216 4539 P C 1.798 179.066 177.300 -0.053 0.000 1.154 4539 P CA 1.754 64.818 63.100 -0.060 0.000 0.865 4539 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 4540 R N -1.466 119.001 120.500 -0.054 0.000 2.075 4540 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 4540 R C 2.033 178.304 176.300 -0.048 0.000 1.126 4540 R CA 1.718 57.789 56.100 -0.048 0.000 0.963 4540 R CB -1.005 29.267 30.300 -0.048 0.000 0.858 4540 R HN 0.199 nan 8.270 nan 0.000 0.435 4541 T N 1.083 115.605 114.554 -0.052 0.000 3.051 4541 T HA 0.131 4.481 4.350 -0.001 0.000 0.255 4541 T C 1.808 176.474 174.700 -0.055 0.000 1.085 4541 T CA 0.139 62.208 62.100 -0.052 0.000 1.109 4541 T CB 0.142 68.979 68.868 -0.052 0.000 0.921 4541 T HN 0.063 nan 8.240 nan 0.000 0.488 4542 L N 0.955 122.143 121.223 -0.057 0.000 2.043 4542 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 4542 L C 2.824 179.650 176.870 -0.074 0.000 1.075 4542 L CA 1.643 56.445 54.840 -0.064 0.000 0.752 4542 L CB -0.444 41.581 42.059 -0.056 0.000 0.891 4542 L HN 0.258 nan 8.230 nan 0.000 0.432 4543 A N -1.254 121.528 122.820 -0.063 0.000 2.030 4543 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 4543 A C 2.186 179.735 177.584 -0.058 0.000 1.164 4543 A CA 0.703 52.702 52.037 -0.063 0.000 0.697 4543 A CB -0.261 18.710 19.000 -0.049 0.000 0.827 4543 A HN 0.417 nan 8.150 nan 0.000 0.457 4544 E N 0.628 120.797 120.200 -0.051 0.000 2.070 4544 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 4544 E C 1.372 177.943 176.600 -0.050 0.000 1.004 4544 E CA 1.625 57.998 56.400 -0.046 0.000 0.805 4544 E CB -0.130 29.545 29.700 -0.042 0.000 0.744 4544 E HN 0.540 nan 8.360 nan 0.000 0.451 4545 N N -0.039 118.626 118.700 -0.058 0.000 2.396 4545 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 4545 N C 1.360 176.826 175.510 -0.074 0.000 1.028 4545 N CA 1.020 54.033 53.050 -0.061 0.000 0.893 4545 N CB -0.142 38.306 38.487 -0.064 0.000 0.967 4545 N HN 0.227 nan 8.380 nan 0.000 0.440 4546 A N 0.063 122.831 122.820 -0.088 0.000 2.119 4546 A HA 0.299 4.618 4.320 -0.001 0.000 0.216 4546 A C 1.467 179.010 177.584 -0.069 0.000 1.152 4546 A CA 1.054 53.030 52.037 -0.101 0.000 0.708 4546 A CB -0.384 18.540 19.000 -0.127 0.000 0.805 4546 A HN 0.306 nan 8.150 nan 0.000 0.460 4547 G N -1.334 107.434 108.800 -0.054 0.000 2.142 4547 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 4547 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 4547 G C -0.050 174.830 174.900 -0.034 0.000 1.015 4547 G CA 0.280 45.356 45.100 -0.039 0.000 0.716 4547 G HN 0.438 nan 8.290 nan 0.000 0.508 4548 L N -0.147 121.053 121.223 -0.038 0.000 2.387 4548 L HA 0.547 4.887 4.340 -0.001 0.000 0.266 4548 L C 0.357 177.211 176.870 -0.026 0.000 1.059 4548 L CA -1.096 53.726 54.840 -0.031 0.000 0.801 4548 L CB 0.912 42.951 42.059 -0.035 0.000 1.223 4548 L HN 0.098 nan 8.230 nan 0.000 0.456 4549 D N 0.725 121.113 120.400 -0.020 0.000 2.338 4549 D HA 0.198 4.838 4.640 -0.001 0.000 0.255 4549 D C 0.741 177.030 176.300 -0.019 0.000 1.237 4549 D CA -0.006 53.984 54.000 -0.017 0.000 0.883 4549 D CB 1.848 42.641 40.800 -0.012 0.000 1.087 4549 D HN 0.588 nan 8.370 nan 0.000 0.485 4550 A N 5.216 128.023 122.820 -0.021 0.000 1.978 4550 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 4550 A C 2.064 179.637 177.584 -0.018 0.000 1.170 4550 A CA 0.890 52.914 52.037 -0.023 0.000 0.636 4550 A CB -0.327 18.658 19.000 -0.025 0.000 0.810 4550 A HN 0.700 nan 8.150 nan 0.000 0.448 4551 I N -0.535 120.027 120.570 -0.014 0.000 2.235 4551 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 4551 I C 2.434 178.546 176.117 -0.008 0.000 1.085 4551 I CA 1.679 62.973 61.300 -0.011 0.000 1.378 4551 I CB -1.464 36.531 38.000 -0.008 0.000 1.076 4551 I HN 0.572 nan 8.210 nan 0.000 0.415 4552 E N 1.557 121.753 120.200 -0.007 0.000 2.051 4552 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 4552 E C 2.336 178.934 176.600 -0.003 0.000 0.991 4552 E CA 1.639 58.037 56.400 -0.004 0.000 0.799 4552 E CB -0.095 29.603 29.700 -0.004 0.000 0.748 4552 E HN 0.590 nan 8.360 nan 0.000 0.449 4553 I N -0.890 119.676 120.570 -0.007 0.000 2.439 4553 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 4553 I C 2.389 178.501 176.117 -0.007 0.000 1.139 4553 I CA 0.593 61.889 61.300 -0.006 0.000 1.438 4553 I CB -0.272 37.720 38.000 -0.013 0.000 1.085 4553 I HN 0.121 nan 8.210 nan 0.000 0.427 4554 L N 1.231 122.448 121.223 -0.011 0.000 2.046 4554 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 4554 L C 2.343 179.210 176.870 -0.004 0.000 1.077 4554 L CA 1.773 56.605 54.840 -0.012 0.000 0.747 4554 L CB -0.478 41.572 42.059 -0.015 0.000 0.896 4554 L HN 0.119 nan 8.230 nan 0.000 0.432 4555 V N -0.522 119.392 119.914 0.000 0.000 2.302 4555 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 4555 V C 2.521 178.622 176.094 0.012 0.000 1.036 4555 V CA 1.886 64.189 62.300 0.006 0.000 1.020 4555 V CB -0.568 31.258 31.823 0.005 0.000 0.657 4555 V HN 0.401 nan 8.190 nan 0.000 0.453 4556 K N -0.257 120.150 120.400 0.011 0.000 2.103 4556 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 4556 K C 2.045 178.660 176.600 0.025 0.000 1.052 4556 K CA 1.103 57.400 56.287 0.016 0.000 0.945 4556 K CB -0.223 32.284 32.500 0.012 0.000 0.722 4556 K HN 0.300 nan 8.250 nan 0.000 0.443 4557 V N 1.306 121.234 119.914 0.022 0.000 2.379 4557 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 4557 V C 2.381 178.508 176.094 0.054 0.000 1.044 4557 V CA 1.432 63.753 62.300 0.034 0.000 1.036 4557 V CB -0.445 31.387 31.823 0.015 0.000 0.664 4557 V HN 0.296 nan 8.190 nan 0.000 0.453 4558 R N 0.543 121.063 120.500 0.034 0.000 2.083 4558 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 4558 R C 2.265 178.611 176.300 0.077 0.000 1.137 4558 R CA 1.970 58.098 56.100 0.046 0.000 0.951 4558 R CB -0.471 29.841 30.300 0.021 0.000 0.851 4558 R HN 0.474 nan 8.270 nan 0.000 0.434 4559 A N 0.537 123.389 122.820 0.052 0.000 1.898 4559 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 4559 A C 2.361 179.974 177.584 0.048 0.000 1.181 4559 A CA 1.575 53.639 52.037 0.044 0.000 0.620 4559 A CB -0.743 18.274 19.000 0.028 0.000 0.819 4559 A HN 0.562 nan 8.150 nan 0.000 0.442 4560 A N -0.939 121.913 122.820 0.053 0.000 1.902 4560 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 4560 A C 2.025 179.643 177.584 0.055 0.000 1.181 4560 A CA 2.115 54.180 52.037 0.047 0.000 0.623 4560 A CB -0.852 18.177 19.000 0.048 0.000 0.818 4560 A HN 0.780 nan 8.150 nan 0.000 0.443 4561 H N -0.266 118.807 119.070 0.006 0.000 2.299 4561 H HA 0.090 4.646 4.556 -0.000 0.000 0.302 4561 H C 2.210 177.543 175.328 0.007 0.000 1.078 4561 H CA 1.987 58.038 56.048 0.006 0.000 1.323 4561 H CB -0.263 29.502 29.762 0.005 0.000 1.381 4561 H HN 0.371 nan 8.280 nan 0.000 0.498 4562 A N -0.594 122.278 122.820 0.088 0.000 1.940 4562 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 4562 A C 2.577 180.144 177.584 -0.028 0.000 1.176 4562 A CA 2.079 54.139 52.037 0.038 0.000 0.631 4562 A CB -1.061 17.985 19.000 0.077 0.000 0.814 4562 A HN 0.521 nan 8.150 nan 0.000 0.446 4563 S N -0.616 115.071 115.700 -0.021 0.000 2.371 4563 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 4563 S C 1.834 176.406 174.600 -0.046 0.000 1.040 4563 S CA 1.037 59.223 58.200 -0.023 0.000 0.958 4563 S CB -0.379 62.818 63.200 -0.006 0.000 0.860 4563 S HN 0.602 nan 8.310 nan 0.000 0.487 4564 N N 1.055 119.722 118.700 -0.055 0.000 2.409 4564 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 4564 N C 1.053 176.505 175.510 -0.098 0.000 1.032 4564 N CA 0.975 53.991 53.050 -0.058 0.000 0.898 4564 N CB 0.159 38.626 38.487 -0.034 0.000 0.971 4564 N HN 0.609 nan 8.380 nan 0.000 0.441 4565 G N 0.603 109.289 108.800 -0.189 0.000 2.342 4565 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 4565 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 4565 G C 0.150 174.799 174.900 -0.419 0.000 1.243 4565 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 4565 G HN 0.271 nan 8.290 nan 0.000 0.500 4566 N N 0.141 118.702 118.700 -0.232 0.000 2.436 4566 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 4566 N C 1.621 177.148 175.510 0.028 0.000 1.026 4566 N CA 1.426 54.434 53.050 -0.070 0.000 0.880 4566 N CB -0.139 38.365 38.487 0.027 0.000 1.061 4566 N HN 0.837 nan 8.380 nan 0.000 0.434 4567 K N -0.222 120.176 120.400 -0.003 0.000 2.387 4567 K HA 0.325 4.645 4.320 -0.001 0.000 0.198 4567 K C -0.153 176.450 176.600 0.005 0.000 1.022 4567 K CA -0.160 56.134 56.287 0.011 0.000 1.128 4567 K CB 0.039 32.542 32.500 0.005 0.000 0.853 4567 K HN 0.034 nan 8.250 nan 0.000 0.523 4568 C N 1.214 120.510 119.300 -0.008 0.000 2.955 4568 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 4568 C C 0.382 175.374 174.990 0.003 0.000 1.842 4568 C CA -0.489 58.524 59.018 -0.008 0.000 1.539 4568 C CB -0.684 27.040 27.740 -0.027 0.000 2.869 4568 C HN 0.654 nan 8.230 nan 0.000 0.503 4569 A N 0.042 122.885 122.820 0.039 0.000 5.810 4569 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 4569 A C 0.147 177.779 177.584 0.079 0.000 0.903 4569 A CA 0.404 52.483 52.037 0.070 0.000 1.207 4569 A CB -0.378 18.683 19.000 0.101 0.000 2.339 4569 A HN 1.963 nan 8.150 nan 0.000 1.102 4570 G N -1.856 107.006 108.800 0.103 0.000 2.787 4570 G HA2 0.367 4.327 3.960 -0.001 0.000 0.685 4570 G HA3 0.367 4.327 3.960 -0.001 0.000 0.685 4570 G C -0.756 174.172 174.900 0.047 0.000 1.437 4570 G CA -0.011 45.129 45.100 0.066 0.000 0.872 4570 G HN 2.037 nan 8.290 nan 0.000 0.566 4571 L N 0.696 121.937 121.223 0.030 0.000 2.289 4571 L HA 0.743 5.083 4.340 -0.001 0.000 0.285 4571 L C 0.199 177.091 176.870 0.037 0.000 1.049 4571 L CA -0.997 53.857 54.840 0.024 0.000 0.804 4571 L CB 1.539 43.600 42.059 0.003 0.000 1.195 4571 L HN 0.748 nan 8.230 nan 0.000 0.428 4572 N N 3.000 121.730 118.700 0.051 0.000 2.501 4572 N HA 0.222 4.962 4.740 -0.001 0.000 0.245 4572 N C 0.806 176.354 175.510 0.064 0.000 0.974 4572 N CA -0.272 52.834 53.050 0.094 0.000 0.941 4572 N CB 1.199 39.757 38.487 0.117 0.000 1.122 4572 N HN 0.510 nan 8.380 nan 0.000 0.507 4573 V N 1.622 121.536 119.914 0.001 0.000 2.913 4573 V HA -0.012 4.108 4.120 -0.001 0.000 0.260 4573 V C 1.403 177.404 176.094 -0.154 0.000 1.098 4573 V CA 1.233 63.464 62.300 -0.116 0.000 1.121 4573 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 4573 V HN 0.473 nan 8.190 nan 0.000 0.487 4574 F N 2.524 122.473 119.950 -0.003 0.000 2.259 4574 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 4574 F C 2.675 178.474 175.800 -0.001 0.000 1.088 4574 F CA 1.850 59.849 58.000 -0.002 0.000 1.358 4574 F CB -0.367 38.632 39.000 -0.001 0.000 1.040 4574 F HN 0.380 nan 8.300 nan 0.000 0.505 4575 T N -4.039 110.617 114.554 0.170 0.000 3.022 4575 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 4575 T C 1.546 176.275 174.700 0.049 0.000 1.060 4575 T CA 0.422 62.577 62.100 0.093 0.000 1.013 4575 T CB 0.268 69.182 68.868 0.077 0.000 0.982 4575 T HN 0.355 nan 8.240 nan 0.000 0.508 4576 G N 1.084 109.904 108.800 0.033 0.000 2.225 4576 G HA2 0.230 4.190 3.960 -0.001 0.000 0.264 4576 G HA3 0.230 4.190 3.960 -0.001 0.000 0.264 4576 G C 0.099 175.006 174.900 0.010 0.000 1.060 4576 G CA -0.181 44.922 45.100 0.006 0.000 0.833 4576 G HN 1.435 nan 8.290 nan 0.000 0.498 4577 A N -1.840 120.992 122.820 0.021 0.000 2.608 4577 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 4577 A C 0.032 177.632 177.584 0.027 0.000 1.066 4577 A CA 0.149 52.198 52.037 0.020 0.000 0.676 4577 A CB 1.350 20.363 19.000 0.022 0.000 1.277 4577 A HN 1.779 nan 8.150 nan 0.000 0.413 4578 V N 1.619 121.547 119.914 0.024 0.000 2.673 4578 V HA 0.394 4.513 4.120 -0.001 0.000 0.303 4578 V C 0.011 176.124 176.094 0.032 0.000 1.046 4578 V CA 0.966 63.284 62.300 0.029 0.000 1.126 4578 V CB 0.477 32.318 31.823 0.029 0.000 0.934 4578 V HN 0.917 nan 8.190 nan 0.000 0.487 4579 E N 3.806 124.029 120.200 0.038 0.000 2.359 4579 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 4579 E C -1.405 175.215 176.600 0.034 0.000 0.877 4579 E CA -0.679 55.742 56.400 0.035 0.000 0.887 4579 E CB 0.725 30.450 29.700 0.041 0.000 1.890 4579 E HN 0.704 nan 8.360 nan 0.000 0.419 4580 D N 1.262 121.679 120.400 0.028 0.000 2.472 4580 D HA 0.181 4.820 4.640 -0.001 0.000 0.234 4580 D C 0.839 177.155 176.300 0.027 0.000 1.088 4580 D CA -0.279 53.736 54.000 0.025 0.000 0.882 4580 D CB 0.646 41.455 40.800 0.015 0.000 1.037 4580 D HN 0.188 nan 8.370 nan 0.000 0.520 4581 M N 1.659 121.281 119.600 0.036 0.000 2.159 4581 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 4581 M C 2.320 178.636 176.300 0.025 0.000 1.063 4581 M CA 0.782 56.104 55.300 0.037 0.000 1.110 4581 M CB -1.142 31.485 32.600 0.045 0.000 1.374 4581 M HN 0.530 nan 8.290 nan 0.000 0.411 4582 C N 0.642 119.955 119.300 0.022 0.000 2.432 4582 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 4582 C C 2.705 177.700 174.990 0.007 0.000 1.249 4582 C CA 1.408 60.434 59.018 0.014 0.000 1.725 4582 C CB -0.921 26.827 27.740 0.014 0.000 2.028 4582 C HN 0.636 nan 8.230 nan 0.000 0.477 4583 E N 0.030 120.234 120.200 0.007 0.000 2.110 4583 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 4583 E C 1.378 177.976 176.600 -0.003 0.000 0.988 4583 E CA 1.168 57.569 56.400 0.001 0.000 0.804 4583 E CB -0.183 29.519 29.700 0.002 0.000 0.745 4583 E HN 0.654 nan 8.360 nan 0.000 0.458 4584 N N -0.375 118.324 118.700 -0.001 0.000 2.398 4584 N HA 0.004 4.743 4.740 -0.001 0.000 0.188 4584 N C 0.758 176.257 175.510 -0.019 0.000 1.122 4584 N CA 0.905 53.949 53.050 -0.011 0.000 0.866 4584 N CB 0.979 39.463 38.487 -0.005 0.000 0.970 4584 N HN 0.332 nan 8.380 nan 0.000 0.462 4585 G N 0.470 109.264 108.800 -0.009 0.000 2.153 4585 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 4585 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 4585 G C 0.048 174.947 174.900 -0.002 0.000 0.994 4585 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 4585 G HN 0.205 nan 8.290 nan 0.000 0.521 4586 V N 1.491 121.411 119.914 0.010 0.000 2.222 4586 V HA 0.495 4.615 4.120 -0.001 0.000 0.253 4586 V C 0.767 176.878 176.094 0.029 0.000 1.210 4586 V CA 0.161 62.477 62.300 0.028 0.000 1.079 4586 V CB 0.413 32.267 31.823 0.052 0.000 1.265 4586 V HN 1.065 nan 8.190 nan 0.000 0.494 4587 V N 1.479 121.406 119.914 0.021 0.000 3.007 4587 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 4587 V C -0.715 175.389 176.094 0.017 0.000 1.120 4587 V CA -0.758 61.553 62.300 0.019 0.000 0.980 4587 V CB 2.560 34.392 31.823 0.015 0.000 1.033 4587 V HN 0.636 nan 8.190 nan 0.000 0.429 4588 E N 1.918 122.127 120.200 0.016 0.000 2.369 4588 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 4588 E C -3.240 173.366 176.600 0.010 0.000 0.909 4588 E CA -2.407 54.001 56.400 0.013 0.000 0.775 4588 E CB 2.152 31.860 29.700 0.012 0.000 1.270 4588 E HN 0.467 nan 8.360 nan 0.000 0.445 4589 P HA -0.007 nan 4.420 nan 0.000 0.268 4589 P C 0.864 178.168 177.300 0.006 0.000 1.205 4589 P CA -0.349 62.755 63.100 0.007 0.000 0.771 4589 P CB 0.478 32.181 31.700 0.006 0.000 0.858 4590 L N 4.529 125.756 121.223 0.006 0.000 2.042 4590 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 4590 L C 2.200 179.073 176.870 0.005 0.000 1.076 4590 L CA 1.894 56.738 54.840 0.006 0.000 0.749 4590 L CB -0.697 41.365 42.059 0.006 0.000 0.893 4590 L HN 0.272 nan 8.230 nan 0.000 0.432 4591 R N -1.198 119.305 120.500 0.004 0.000 2.117 4591 R HA -0.164 4.176 4.340 -0.001 0.000 0.243 4591 R C 2.117 178.419 176.300 0.003 0.000 1.143 4591 R CA 1.616 57.718 56.100 0.004 0.000 0.968 4591 R CB -0.726 29.576 30.300 0.003 0.000 0.863 4591 R HN 0.346 nan 8.270 nan 0.000 0.444 4592 V N 1.326 121.242 119.914 0.003 0.000 2.261 4592 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 4592 V C 2.225 178.319 176.094 -0.000 0.000 1.047 4592 V CA 1.686 63.987 62.300 0.002 0.000 1.015 4592 V CB -0.299 31.525 31.823 0.002 0.000 0.642 4592 V HN 0.217 nan 8.190 nan 0.000 0.446 4593 K N -0.344 120.056 120.400 0.000 0.000 2.167 4593 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 4593 K C 2.175 178.775 176.600 0.001 0.000 1.052 4593 K CA 1.264 57.550 56.287 -0.003 0.000 0.956 4593 K CB -0.561 31.937 32.500 -0.003 0.000 0.735 4593 K HN 0.482 nan 8.250 nan 0.000 0.451 4594 T N 1.256 115.813 114.554 0.004 0.000 2.812 4594 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 4594 T C 1.900 176.606 174.700 0.010 0.000 1.042 4594 T CA 1.212 63.317 62.100 0.007 0.000 1.140 4594 T CB -0.005 68.866 68.868 0.005 0.000 0.870 4594 T HN 0.129 nan 8.240 nan 0.000 0.445 4595 Q N 1.254 121.058 119.800 0.007 0.000 2.123 4595 Q HA 0.157 4.497 4.340 -0.001 0.000 0.199 4595 Q C 2.269 178.275 176.000 0.009 0.000 0.966 4595 Q CA 1.505 57.313 55.803 0.008 0.000 0.845 4595 Q CB -0.620 28.121 28.738 0.006 0.000 0.907 4595 Q HN 0.476 nan 8.270 nan 0.000 0.439 4596 A N 0.506 123.328 122.820 0.003 0.000 1.858 4596 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 4596 A C 1.934 179.518 177.584 -0.000 0.000 1.190 4596 A CA 1.615 53.651 52.037 -0.003 0.000 0.617 4596 A CB -0.713 18.280 19.000 -0.011 0.000 0.827 4596 A HN 0.443 nan 8.150 nan 0.000 0.443 4597 I N -0.119 120.456 120.570 0.008 0.000 2.252 4597 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 4597 I C 2.650 178.807 176.117 0.068 0.000 1.102 4597 I CA 1.773 63.090 61.300 0.030 0.000 1.385 4597 I CB -1.483 36.547 38.000 0.050 0.000 1.064 4597 I HN 0.595 nan 8.210 nan 0.000 0.414 4598 Q N 0.879 120.710 119.800 0.051 0.000 2.002 4598 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 4598 Q C 2.385 178.414 176.000 0.048 0.000 0.988 4598 Q CA 2.726 58.559 55.803 0.049 0.000 0.843 4598 Q CB 0.091 28.845 28.738 0.027 0.000 0.908 4598 Q HN 0.360 nan 8.270 nan 0.000 0.420 4599 S N 0.287 116.006 115.700 0.032 0.000 2.368 4599 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 4599 S C 1.938 176.557 174.600 0.032 0.000 1.029 4599 S CA 0.883 59.100 58.200 0.028 0.000 0.988 4599 S CB -0.340 62.870 63.200 0.017 0.000 0.838 4599 S HN 0.571 nan 8.310 nan 0.000 0.462 4600 A N 1.673 124.508 122.820 0.025 0.000 1.877 4600 A HA 0.077 4.396 4.320 -0.001 0.000 0.216 4600 A C 2.359 179.967 177.584 0.040 0.000 1.186 4600 A CA 1.758 53.803 52.037 0.013 0.000 0.620 4600 A CB -1.128 17.861 19.000 -0.018 0.000 0.822 4600 A HN 0.516 nan 8.150 nan 0.000 0.443 4601 A N -0.592 122.281 122.820 0.089 0.000 1.930 4601 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 4601 A C 1.976 179.651 177.584 0.153 0.000 1.175 4601 A CA 2.109 54.256 52.037 0.183 0.000 0.627 4601 A CB -0.418 18.775 19.000 0.323 0.000 0.815 4601 A HN 0.543 nan 8.150 nan 0.000 0.443 4602 E N -0.152 120.108 120.200 0.101 0.000 2.072 4602 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 4602 E C 2.221 178.863 176.600 0.070 0.000 0.982 4602 E CA 1.449 57.896 56.400 0.079 0.000 0.803 4602 E CB -0.341 29.390 29.700 0.053 0.000 0.755 4602 E HN 0.461 nan 8.360 nan 0.000 0.453 4603 S N -1.278 114.456 115.700 0.057 0.000 2.383 4603 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 4603 S C 1.885 176.517 174.600 0.054 0.000 1.026 4603 S CA 1.657 59.884 58.200 0.044 0.000 0.981 4603 S CB -0.543 62.675 63.200 0.029 0.000 0.818 4603 S HN 0.407 nan 8.310 nan 0.000 0.472 4604 T N 1.731 116.328 114.554 0.071 0.000 2.652 4604 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 4604 T C 1.761 176.541 174.700 0.133 0.000 1.039 4604 T CA 1.648 63.805 62.100 0.094 0.000 1.153 4604 T CB -0.481 68.451 68.868 0.107 0.000 0.863 4604 T HN 0.587 nan 8.240 nan 0.000 0.428 4605 E N 0.583 120.883 120.200 0.166 0.000 2.085 4605 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 4605 E C 2.253 178.900 176.600 0.077 0.000 0.994 4605 E CA 1.070 57.555 56.400 0.142 0.000 0.801 4605 E CB -0.234 29.550 29.700 0.141 0.000 0.743 4605 E HN 0.458 nan 8.360 nan 0.000 0.453 4606 M N 0.240 119.879 119.600 0.064 0.000 2.082 4606 M HA -0.243 4.237 4.480 -0.001 0.000 0.258 4606 M C 1.952 178.273 176.300 0.035 0.000 1.069 4606 M CA 1.424 56.750 55.300 0.043 0.000 1.102 4606 M CB -0.051 32.572 32.600 0.037 0.000 1.336 4606 M HN 0.178 nan 8.290 nan 0.000 0.404 4607 L N 0.390 121.635 121.223 0.036 0.000 2.083 4607 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 4607 L C 2.143 179.025 176.870 0.019 0.000 1.083 4607 L CA 1.657 56.510 54.840 0.022 0.000 0.752 4607 L CB -0.919 41.150 42.059 0.017 0.000 0.899 4607 L HN 0.402 nan 8.230 nan 0.000 0.433 4608 L N -1.586 119.658 121.223 0.034 0.000 2.395 4608 L HA -0.098 4.241 4.340 -0.001 0.000 0.218 4608 L C 2.489 179.364 176.870 0.008 0.000 1.130 4608 L CA 0.428 55.279 54.840 0.019 0.000 0.826 4608 L CB -0.361 41.715 42.059 0.028 0.000 0.941 4608 L HN 0.206 nan 8.230 nan 0.000 0.451 4609 R N 0.014 120.525 120.500 0.018 0.000 2.115 4609 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 4609 R C 0.273 176.583 176.300 0.016 0.000 1.111 4609 R CA 0.617 56.728 56.100 0.018 0.000 0.976 4609 R CB -0.148 30.165 30.300 0.023 0.000 0.870 4609 R HN 0.140 nan 8.270 nan 0.000 0.445 4610 I N 2.165 122.744 120.570 0.015 0.000 2.496 4610 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 4610 I C 0.657 176.783 176.117 0.015 0.000 1.080 4610 I CA 0.239 61.550 61.300 0.018 0.000 1.404 4610 I CB 1.158 39.169 38.000 0.019 0.000 1.403 4610 I HN 0.140 nan 8.210 nan 0.000 0.539 4611 D N 2.275 122.687 120.400 0.020 0.000 2.469 4611 D HA 0.175 4.815 4.640 -0.001 0.000 0.213 4611 D C -0.310 176.010 176.300 0.035 0.000 1.135 4611 D CA -0.006 54.006 54.000 0.019 0.000 0.834 4611 D CB 0.319 41.127 40.800 0.013 0.000 1.009 4611 D HN 0.359 nan 8.370 nan 0.000 0.507 4612 D N -0.284 120.143 120.400 0.044 0.000 2.812 4612 D HA 0.218 4.858 4.640 -0.001 0.000 0.210 4612 D C -1.672 174.666 176.300 0.064 0.000 1.260 4612 D CA -0.513 53.521 54.000 0.056 0.000 0.817 4612 D CB 2.193 43.017 40.800 0.040 0.000 1.694 4612 D HN -0.183 nan 8.370 nan 0.000 0.530 4613 V N 4.070 124.040 119.914 0.094 0.000 2.384 4613 V HA 0.544 4.664 4.120 -0.001 0.000 0.287 4613 V C 0.044 176.186 176.094 0.079 0.000 1.020 4613 V CA -0.588 61.772 62.300 0.100 0.000 0.850 4613 V CB 1.216 33.139 31.823 0.166 0.000 0.987 4613 V HN 0.415 nan 8.190 nan 0.000 0.436 4614 I N 4.509 125.113 120.570 0.056 0.000 2.355 4614 I HA 0.671 4.841 4.170 -0.001 0.000 0.288 4614 I C 0.431 176.571 176.117 0.038 0.000 0.999 4614 I CA -0.106 61.217 61.300 0.040 0.000 1.163 4614 I CB 1.747 39.764 38.000 0.028 0.000 1.316 4614 I HN 0.652 nan 8.210 nan 0.000 0.454 4615 A N 5.113 127.954 122.820 0.035 0.000 2.276 4615 A HA 0.884 5.204 4.320 -0.001 0.000 0.316 4615 A C 0.166 177.760 177.584 0.018 0.000 1.229 4615 A CA -0.569 51.486 52.037 0.029 0.000 0.851 4615 A CB 0.696 19.716 19.000 0.034 0.000 1.165 4615 A HN 0.780 nan 8.150 nan 0.000 0.513 4616 A N 1.970 124.799 122.820 0.015 0.000 2.371 4616 A HA 0.475 4.794 4.320 -0.001 0.000 0.257 4616 A C 0.593 178.181 177.584 0.008 0.000 1.089 4616 A CA -0.157 51.886 52.037 0.010 0.000 0.794 4616 A CB 0.086 19.092 19.000 0.010 0.000 1.029 4616 A HN 0.951 nan 8.150 nan 0.000 0.488 4617 E N 0.000 120.203 120.200 0.005 0.000 2.725 4617 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 4617 E CA 0.000 56.402 56.400 0.003 0.000 0.976 4617 E CB 0.000 29.701 29.700 0.002 0.000 0.812 4617 E HN 0.000 nan 8.360 nan 0.000 0.440