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 3izh_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 TNIKDLSAQD 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 0.000 176.088 176.094 -0.010 0.000 1.182 4105 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 4105 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 4106 L N 2.510 123.725 121.223 -0.013 0.000 2.325 4106 L HA 0.554 4.894 4.340 -0.000 0.000 0.279 4106 L C -2.188 174.673 176.870 -0.014 0.000 1.054 4106 L CA -1.544 53.288 54.840 -0.013 0.000 0.804 4106 L CB 0.866 42.914 42.059 -0.017 0.000 1.200 4106 L HN 0.163 nan 8.230 nan 0.000 0.436 4107 P HA -0.008 nan 4.420 nan 0.000 0.264 4107 P C -0.445 176.847 177.300 -0.014 0.000 1.193 4107 P CA -0.143 62.950 63.100 -0.011 0.000 0.763 4107 P CB 0.402 32.096 31.700 -0.009 0.000 0.810 4108 E N 3.248 123.440 120.200 -0.014 0.000 2.452 4108 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 4108 E C 0.844 177.435 176.600 -0.015 0.000 0.987 4108 E CA 0.389 56.779 56.400 -0.016 0.000 0.926 4108 E CB 0.011 29.703 29.700 -0.014 0.000 0.934 4108 E HN 0.618 nan 8.360 nan 0.000 0.452 4109 N N 2.454 121.143 118.700 -0.018 0.000 2.990 4109 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 4109 N C -0.613 174.886 175.510 -0.018 0.000 1.452 4109 N CA 0.223 53.264 53.050 -0.016 0.000 1.624 4109 N CB -0.631 37.849 38.487 -0.011 0.000 1.088 4109 N HN 0.388 nan 8.380 nan 0.000 0.695 4110 M N 2.058 121.646 119.600 -0.020 0.000 2.228 4110 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 4110 M C 0.301 176.579 176.300 -0.037 0.000 1.233 4110 M CA 0.555 55.843 55.300 -0.021 0.000 1.129 4110 M CB 0.839 33.428 32.600 -0.018 0.000 1.604 4110 M HN 0.162 nan 8.290 nan 0.000 0.457 4111 K N 2.269 122.649 120.400 -0.034 0.000 2.316 4111 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 4111 K C -1.213 175.344 176.600 -0.073 0.000 0.934 4111 K CA -0.573 55.667 56.287 -0.077 0.000 0.802 4111 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 4111 K HN 0.675 nan 8.250 nan 0.000 0.426 4112 R N 3.088 123.461 120.500 -0.212 0.000 2.621 4112 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 4112 R C -1.521 174.569 176.300 -0.350 0.000 0.998 4112 R CA -0.598 55.420 56.100 -0.136 0.000 0.895 4112 R CB 0.893 31.151 30.300 -0.070 0.000 1.195 4112 R HN 0.626 nan 8.270 nan 0.000 0.450 4113 Y N 4.207 124.511 120.300 0.007 0.000 2.462 4113 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 4113 Y C 0.275 176.182 175.900 0.011 0.000 0.976 4113 Y CA -0.950 57.158 58.100 0.013 0.000 1.044 4113 Y CB 2.227 40.702 38.460 0.026 0.000 1.230 4113 Y HN 0.426 nan 8.280 nan 0.000 0.455 4114 M N 0.860 120.544 119.600 0.141 0.000 2.618 4114 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 4114 M C 0.179 176.519 176.300 0.066 0.000 1.267 4114 M CA -0.144 55.204 55.300 0.080 0.000 0.845 4114 M CB 1.349 33.973 32.600 0.040 0.000 1.732 4114 M HN 0.877 nan 8.290 nan 0.000 0.461 4115 G N 2.284 111.109 108.800 0.043 0.000 2.574 4115 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 4115 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 4115 G C 0.507 175.425 174.900 0.030 0.000 1.212 4115 G CA 1.067 46.183 45.100 0.027 0.000 0.979 4115 G HN 1.179 nan 8.290 nan 0.000 0.557 4116 R N 0.438 120.952 120.500 0.024 0.000 2.189 4116 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 4116 R C 2.067 178.387 176.300 0.034 0.000 1.092 4116 R CA 1.947 58.059 56.100 0.020 0.000 0.989 4116 R CB -0.373 29.935 30.300 0.012 0.000 0.876 4116 R HN 0.595 nan 8.270 nan 0.000 0.457 4117 D N 0.254 120.691 120.400 0.061 0.000 2.123 4117 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 4117 D C 1.705 178.057 176.300 0.088 0.000 0.976 4117 D CA 1.401 55.460 54.000 0.099 0.000 0.831 4117 D CB -0.124 40.781 40.800 0.175 0.000 0.974 4117 D HN 0.361 nan 8.370 nan 0.000 0.469 4118 A N 0.957 123.838 122.820 0.102 0.000 1.933 4118 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 4118 A C 2.152 179.746 177.584 0.017 0.000 1.175 4118 A CA 1.319 53.401 52.037 0.075 0.000 0.628 4118 A CB -0.515 18.538 19.000 0.089 0.000 0.814 4118 A HN 0.194 nan 8.150 nan 0.000 0.444 4119 Q N -1.108 118.701 119.800 0.016 0.000 2.046 4119 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 4119 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 4119 Q CA 1.439 57.243 55.803 0.001 0.000 0.836 4119 Q CB -0.197 28.542 28.738 0.002 0.000 0.896 4119 Q HN 0.690 nan 8.270 nan 0.000 0.428 4120 R N 0.689 121.182 120.500 -0.013 0.000 2.083 4120 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 4120 R C 2.291 178.558 176.300 -0.056 0.000 1.137 4120 R CA 1.677 57.762 56.100 -0.025 0.000 0.951 4120 R CB -0.213 30.079 30.300 -0.012 0.000 0.851 4120 R HN 0.293 nan 8.270 nan 0.000 0.434 4121 M N 0.471 120.022 119.600 -0.082 0.000 2.086 4121 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 4121 M C 1.866 178.087 176.300 -0.132 0.000 1.067 4121 M CA 2.334 57.546 55.300 -0.146 0.000 1.116 4121 M CB -0.329 32.122 32.600 -0.248 0.000 1.348 4121 M HN 0.160 nan 8.290 nan 0.000 0.407 4122 N N 0.537 119.188 118.700 -0.082 0.000 2.069 4122 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 4122 N C 1.466 176.944 175.510 -0.054 0.000 1.031 4122 N CA 2.059 55.076 53.050 -0.055 0.000 0.852 4122 N CB -0.354 38.121 38.487 -0.021 0.000 1.018 4122 N HN 0.494 nan 8.380 nan 0.000 0.423 4123 I N -0.410 120.134 120.570 -0.044 0.000 2.179 4123 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 4123 I C 1.704 177.791 176.117 -0.050 0.000 1.088 4123 I CA 0.585 61.864 61.300 -0.034 0.000 1.357 4123 I CB -0.200 37.786 38.000 -0.023 0.000 1.051 4123 I HN 0.194 nan 8.210 nan 0.000 0.409 4124 L N 0.691 121.874 121.223 -0.068 0.000 2.046 4124 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 4124 L C 2.679 179.490 176.870 -0.098 0.000 1.077 4124 L CA 2.127 56.920 54.840 -0.077 0.000 0.747 4124 L CB -1.269 40.738 42.059 -0.087 0.000 0.896 4124 L HN 0.201 nan 8.230 nan 0.000 0.432 4125 A N -0.624 122.114 122.820 -0.137 0.000 1.877 4125 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 4125 A C 2.428 179.957 177.584 -0.091 0.000 1.186 4125 A CA 1.743 53.685 52.037 -0.158 0.000 0.620 4125 A CB -1.385 17.477 19.000 -0.229 0.000 0.822 4125 A HN 0.438 nan 8.150 nan 0.000 0.443 4126 G N -0.395 108.365 108.800 -0.066 0.000 2.418 4126 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 4126 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 4126 G C 1.702 176.580 174.900 -0.036 0.000 1.158 4126 G CA 1.376 46.452 45.100 -0.040 0.000 0.771 4126 G HN 0.552 nan 8.290 nan 0.000 0.545 4127 R N 0.766 121.243 120.500 -0.039 0.000 2.083 4127 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 4127 R C 2.469 178.748 176.300 -0.034 0.000 1.137 4127 R CA 1.363 57.444 56.100 -0.033 0.000 0.951 4127 R CB -0.790 29.491 30.300 -0.032 0.000 0.851 4127 R HN 0.433 nan 8.270 nan 0.000 0.434 4128 I N 0.209 120.753 120.570 -0.044 0.000 2.226 4128 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 4128 I C 1.836 177.933 176.117 -0.034 0.000 1.100 4128 I CA 0.829 62.105 61.300 -0.041 0.000 1.374 4128 I CB -0.283 37.685 38.000 -0.052 0.000 1.057 4128 I HN 0.160 nan 8.210 nan 0.000 0.413 4129 I N 1.097 121.646 120.570 -0.035 0.000 2.226 4129 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 4129 I C 2.848 178.953 176.117 -0.021 0.000 1.100 4129 I CA 1.709 62.994 61.300 -0.025 0.000 1.374 4129 I CB -1.478 36.508 38.000 -0.023 0.000 1.057 4129 I HN 0.189 nan 8.210 nan 0.000 0.413 4130 A N 0.319 123.125 122.820 -0.022 0.000 1.933 4130 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 4130 A C 2.151 179.723 177.584 -0.020 0.000 1.175 4130 A CA 1.312 53.337 52.037 -0.020 0.000 0.628 4130 A CB -0.407 18.580 19.000 -0.021 0.000 0.814 4130 A HN 0.373 nan 8.150 nan 0.000 0.444 4131 E N -0.466 119.722 120.200 -0.021 0.000 2.150 4131 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 4131 E C 2.000 178.590 176.600 -0.017 0.000 0.985 4131 E CA 1.523 57.911 56.400 -0.020 0.000 0.814 4131 E CB -0.591 29.097 29.700 -0.021 0.000 0.752 4131 E HN 0.591 nan 8.360 nan 0.000 0.466 4132 T N 0.934 115.478 114.554 -0.017 0.000 2.857 4132 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 4132 T C 2.099 176.792 174.700 -0.011 0.000 1.048 4132 T CA 1.487 63.579 62.100 -0.013 0.000 1.139 4132 T CB 0.006 68.866 68.868 -0.013 0.000 0.874 4132 T HN 0.201 nan 8.240 nan 0.000 0.455 4133 V N 0.132 120.039 119.914 -0.012 0.000 2.992 4133 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 4133 V C 2.266 178.353 176.094 -0.012 0.000 1.090 4133 V CA 0.736 63.030 62.300 -0.011 0.000 1.101 4133 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 4133 V HN 0.223 nan 8.190 nan 0.000 0.468 4134 R N 2.250 122.741 120.500 -0.015 0.000 2.211 4134 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 4134 R C 2.174 178.465 176.300 -0.014 0.000 1.144 4134 R CA 1.873 57.963 56.100 -0.017 0.000 0.992 4134 R CB -0.449 29.839 30.300 -0.020 0.000 0.869 4134 R HN 0.794 nan 8.270 nan 0.000 0.462 4135 S N -1.663 114.031 115.700 -0.012 0.000 2.595 4135 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 4135 S C 1.283 175.880 174.600 -0.006 0.000 0.974 4135 S CA 1.165 59.360 58.200 -0.009 0.000 0.942 4135 S CB 0.332 63.528 63.200 -0.007 0.000 0.766 4135 S HN 0.272 nan 8.310 nan 0.000 0.536 4136 T N 1.223 115.773 114.554 -0.007 0.000 3.015 4136 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 4136 T C 0.276 174.972 174.700 -0.006 0.000 1.057 4136 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 4136 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 4136 T HN 0.291 nan 8.240 nan 0.000 0.488 4137 L N 2.499 123.716 121.223 -0.010 0.000 2.499 4137 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 4137 L C 0.721 177.583 176.870 -0.014 0.000 1.195 4137 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 4137 L CB -0.771 41.277 42.059 -0.019 0.000 1.133 4137 L HN 0.442 nan 8.230 nan 0.000 0.483 4138 G N 3.864 112.656 108.800 -0.014 0.000 2.663 4138 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 4138 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 4138 G C -1.998 172.898 174.900 -0.007 0.000 1.288 4138 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 4138 G HN 0.502 nan 8.290 nan 0.000 0.584 4139 P HA -0.002 nan 4.420 nan 0.000 0.218 4139 P C 1.396 178.707 177.300 0.017 0.000 1.148 4139 P CA 1.271 64.374 63.100 0.005 0.000 0.822 4139 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 4140 K N -0.505 119.902 120.400 0.010 0.000 2.446 4140 K HA 0.258 4.578 4.320 -0.000 0.000 0.203 4140 K C 0.966 177.573 176.600 0.011 0.000 1.027 4140 K CA -0.048 56.250 56.287 0.018 0.000 1.166 4140 K CB -0.148 32.361 32.500 0.016 0.000 0.869 4140 K HN 0.063 nan 8.250 nan 0.000 0.504 4141 G N 1.853 110.657 108.800 0.007 0.000 2.442 4141 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 4141 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 4141 G C 0.310 175.214 174.900 0.007 0.000 1.263 4141 G CA -0.422 44.680 45.100 0.003 0.000 0.846 4141 G HN 0.197 nan 8.290 nan 0.000 0.555 4142 M N 0.698 120.301 119.600 0.005 0.000 2.792 4142 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 4142 M C -0.819 175.483 176.300 0.005 0.000 1.215 4142 M CA -1.041 54.263 55.300 0.007 0.000 0.883 4142 M CB 1.828 34.432 32.600 0.006 0.000 1.620 4142 M HN 0.459 nan 8.290 nan 0.000 0.511 4143 D N -0.681 119.722 120.400 0.005 0.000 2.340 4143 D HA 0.578 5.218 4.640 -0.000 0.000 0.243 4143 D C -1.436 174.865 176.300 0.002 0.000 0.988 4143 D CA -0.785 53.218 54.000 0.004 0.000 0.959 4143 D CB 1.405 42.208 40.800 0.005 0.000 1.226 4143 D HN 0.640 nan 8.370 nan 0.000 0.509 4144 K N -0.115 120.286 120.400 0.001 0.000 2.267 4144 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 4144 K C -0.918 175.682 176.600 0.000 0.000 0.954 4144 K CA -1.041 55.246 56.287 0.000 0.000 0.824 4144 K CB 2.328 34.827 32.500 -0.001 0.000 1.167 4144 K HN 0.483 nan 8.250 nan 0.000 0.431 4145 M N 3.580 123.180 119.600 -0.000 0.000 2.078 4145 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 4145 M C -1.859 174.441 176.300 -0.001 0.000 0.969 4145 M CA -0.966 54.334 55.300 -0.001 0.000 0.929 4145 M CB 0.652 33.251 32.600 -0.001 0.000 1.504 4145 M HN 0.382 nan 8.290 nan 0.000 0.419 4146 L N 5.940 127.162 121.223 -0.001 0.000 2.298 4146 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 4146 L C -0.944 175.926 176.870 -0.001 0.000 1.013 4146 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 4146 L CB 1.961 44.020 42.059 -0.000 0.000 1.221 4146 L HN 0.438 nan 8.230 nan 0.000 0.418 4147 V N 3.166 123.080 119.914 -0.000 0.000 2.326 4147 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 4147 V C -0.269 175.825 176.094 0.000 0.000 1.015 4147 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 4147 V CB 1.199 33.022 31.823 -0.001 0.000 1.009 4147 V HN 0.796 nan 8.190 nan 0.000 0.436 4148 D N 3.488 123.888 120.400 0.000 0.000 2.369 4148 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 4148 D C 1.131 177.432 176.300 0.001 0.000 1.271 4148 D CA -0.197 53.803 54.000 0.001 0.000 0.942 4148 D CB 0.609 41.409 40.800 0.001 0.000 1.129 4148 D HN 0.589 nan 8.370 nan 0.000 0.476 4149 D N -0.398 120.003 120.400 0.001 0.000 2.351 4149 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 4149 D C 1.612 177.912 176.300 0.001 0.000 0.968 4149 D CA 0.619 54.620 54.000 0.001 0.000 0.899 4149 D CB -0.138 40.663 40.800 0.002 0.000 0.907 4149 D HN 0.419 nan 8.370 nan 0.000 0.514 4150 L N -0.982 120.241 121.223 0.001 0.000 2.463 4150 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 4150 L C 1.981 178.851 176.870 -0.000 0.000 1.088 4150 L CA 0.611 55.451 54.840 0.000 0.000 0.849 4150 L CB 0.228 42.288 42.059 0.000 0.000 1.012 4150 L HN 0.324 nan 8.230 nan 0.000 0.468 4151 G N -0.583 108.217 108.800 -0.000 0.000 2.278 4151 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.210 4151 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.210 4151 G C 0.123 175.022 174.900 -0.001 0.000 1.000 4151 G CA -0.067 45.033 45.100 -0.001 0.000 0.635 4151 G HN 0.289 nan 8.290 nan 0.000 0.495 4152 D N 1.026 121.425 120.400 -0.001 0.000 2.472 4152 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 4152 D C 0.351 176.650 176.300 -0.002 0.000 1.141 4152 D CA 0.509 54.508 54.000 -0.001 0.000 0.875 4152 D CB 1.199 41.998 40.800 -0.001 0.000 1.192 4152 D HN 0.382 nan 8.370 nan 0.000 0.450 4153 V N 4.223 124.136 119.914 -0.002 0.000 2.540 4153 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 4153 V C -0.174 175.919 176.094 -0.003 0.000 1.035 4153 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 4153 V CB 1.811 33.632 31.823 -0.003 0.000 0.992 4153 V HN 0.402 nan 8.190 nan 0.000 0.428 4154 V N 6.290 126.203 119.914 -0.002 0.000 2.487 4154 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 4154 V C -0.877 175.216 176.094 -0.002 0.000 1.028 4154 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 4154 V CB 2.107 33.929 31.823 -0.001 0.000 0.991 4154 V HN 0.644 nan 8.190 nan 0.000 0.427 4155 V N 6.332 126.245 119.914 -0.002 0.000 2.376 4155 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 4155 V C 0.056 176.150 176.094 -0.000 0.000 1.015 4155 V CA -0.011 62.288 62.300 -0.001 0.000 0.834 4155 V CB 1.363 33.185 31.823 -0.002 0.000 1.001 4155 V HN 1.026 nan 8.190 nan 0.000 0.428 4156 T N 2.548 117.102 114.554 0.001 0.000 2.787 4156 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 4156 T C 0.249 174.950 174.700 0.002 0.000 1.221 4156 T CA -0.176 61.925 62.100 0.001 0.000 1.006 4156 T CB 1.943 70.811 68.868 0.001 0.000 1.328 4156 T HN 0.654 nan 8.240 nan 0.000 0.509 4157 N N 0.539 119.241 118.700 0.002 0.000 2.273 4157 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 4157 N C -0.104 175.406 175.510 0.000 0.000 1.132 4157 N CA -0.147 52.904 53.050 0.002 0.000 0.887 4157 N CB -0.165 38.324 38.487 0.003 0.000 1.048 4157 N HN 0.603 nan 8.380 nan 0.000 0.490 4158 D N 0.441 120.841 120.400 0.001 0.000 2.450 4158 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 4158 D C 1.462 177.762 176.300 -0.001 0.000 1.162 4158 D CA 0.303 54.304 54.000 0.000 0.000 0.879 4158 D CB 1.058 41.859 40.800 0.001 0.000 1.163 4158 D HN 0.244 nan 8.370 nan 0.000 0.472 4159 G N 2.484 111.283 108.800 -0.001 0.000 2.421 4159 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 4159 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 4159 G C 1.555 176.455 174.900 -0.001 0.000 1.171 4159 G CA 0.727 45.826 45.100 -0.002 0.000 0.775 4159 G HN 0.491 nan 8.290 nan 0.000 0.543 4160 V N 0.967 120.881 119.914 0.000 0.000 2.287 4160 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 4160 V C 3.150 179.244 176.094 0.002 0.000 1.053 4160 V CA 2.417 64.718 62.300 0.001 0.000 1.027 4160 V CB -1.045 30.780 31.823 0.002 0.000 0.646 4160 V HN 0.384 nan 8.190 nan 0.000 0.447 4161 T N 0.236 114.791 114.554 0.001 0.000 2.708 4161 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 4161 T C 1.834 176.534 174.700 0.001 0.000 1.037 4161 T CA 1.882 63.983 62.100 0.001 0.000 1.146 4161 T CB -0.313 68.555 68.868 0.001 0.000 0.865 4161 T HN 0.338 nan 8.240 nan 0.000 0.435 4162 I N 0.462 121.032 120.570 0.000 0.000 2.163 4162 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 4162 I C 2.069 178.186 176.117 0.000 0.000 1.085 4162 I CA 1.081 62.381 61.300 -0.000 0.000 1.347 4162 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 4162 I HN 0.168 nan 8.210 nan 0.000 0.408 4163 L N 0.020 121.244 121.223 0.001 0.000 2.179 4163 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 4163 L C 2.476 179.348 176.870 0.004 0.000 1.096 4163 L CA 1.413 56.254 54.840 0.002 0.000 0.779 4163 L CB -0.924 41.136 42.059 0.001 0.000 0.922 4163 L HN 0.146 nan 8.230 nan 0.000 0.443 4164 R N -0.001 120.501 120.500 0.003 0.000 2.075 4164 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 4164 R C 1.909 178.212 176.300 0.004 0.000 1.126 4164 R CA 1.263 57.366 56.100 0.004 0.000 0.963 4164 R CB 0.036 30.338 30.300 0.003 0.000 0.858 4164 R HN 0.326 nan 8.270 nan 0.000 0.435 4165 E N 0.581 120.783 120.200 0.003 0.000 2.072 4165 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 4165 E C 1.171 177.773 176.600 0.003 0.000 0.982 4165 E CA 0.292 56.693 56.400 0.003 0.000 0.803 4165 E CB -0.281 29.420 29.700 0.002 0.000 0.755 4165 E HN 0.301 nan 8.360 nan 0.000 0.453 4166 M N 0.862 120.464 119.600 0.003 0.000 2.252 4166 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 4166 M C 0.144 176.448 176.300 0.007 0.000 1.070 4166 M CA 0.487 55.790 55.300 0.004 0.000 1.143 4166 M CB 0.578 33.180 32.600 0.004 0.000 1.498 4166 M HN -0.188 nan 8.290 nan 0.000 0.445 4167 S N 4.008 119.713 115.700 0.008 0.000 2.512 4167 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 4167 S C -0.804 173.805 174.600 0.014 0.000 1.151 4167 S CA -0.853 57.353 58.200 0.010 0.000 1.120 4167 S CB 0.004 63.209 63.200 0.008 0.000 1.029 4167 S HN 0.531 nan 8.310 nan 0.000 0.485 4168 V N 4.974 124.898 119.914 0.017 0.000 2.732 4168 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 4168 V C 1.013 177.126 176.094 0.032 0.000 1.060 4168 V CA -0.118 62.199 62.300 0.027 0.000 1.038 4168 V CB 1.489 33.330 31.823 0.030 0.000 1.003 4168 V HN 0.800 nan 8.190 nan 0.000 0.481 4169 E N 0.660 120.888 120.200 0.047 0.000 2.288 4169 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 4169 E C 0.678 177.308 176.600 0.050 0.000 0.880 4169 E CA -0.038 56.386 56.400 0.041 0.000 0.971 4169 E CB 0.011 29.734 29.700 0.038 0.000 0.954 4169 E HN 0.693 nan 8.360 nan 0.000 0.489 4170 H N 2.803 121.870 119.070 -0.005 0.000 2.886 4170 H HA 0.017 4.574 4.556 0.000 0.000 0.329 4170 H C -1.721 173.601 175.328 -0.010 0.000 1.044 4170 H CA -1.190 54.852 56.048 -0.011 0.000 1.456 4170 H CB 1.501 31.248 29.762 -0.026 0.000 1.464 4170 H HN -0.172 nan 8.280 nan 0.000 0.573 4171 P HA -0.127 nan 4.420 nan 0.000 0.215 4171 P C 1.126 178.489 177.300 0.105 0.000 1.153 4171 P CA 1.986 65.076 63.100 -0.016 0.000 0.853 4171 P CB 0.098 31.745 31.700 -0.088 0.000 0.788 4172 A N -0.120 122.873 122.820 0.287 0.000 1.933 4172 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 4172 A C 2.298 179.949 177.584 0.111 0.000 1.175 4172 A CA 2.035 54.193 52.037 0.201 0.000 0.628 4172 A CB -1.539 17.576 19.000 0.191 0.000 0.814 4172 A HN 0.201 nan 8.150 nan 0.000 0.444 4173 A N -0.189 122.714 122.820 0.139 0.000 1.929 4173 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 4173 A C 2.068 179.679 177.584 0.046 0.000 1.176 4173 A CA 1.587 53.652 52.037 0.048 0.000 0.628 4173 A CB -0.372 18.651 19.000 0.038 0.000 0.816 4173 A HN 0.521 nan 8.150 nan 0.000 0.444 4174 K N -1.003 119.433 120.400 0.061 0.000 2.147 4174 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 4174 K C 2.031 178.649 176.600 0.030 0.000 1.049 4174 K CA 1.573 57.883 56.287 0.038 0.000 0.936 4174 K CB -0.235 32.284 32.500 0.033 0.000 0.722 4174 K HN 0.600 nan 8.250 nan 0.000 0.446 4175 M N 0.706 120.327 119.600 0.036 0.000 2.254 4175 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 4175 M C 1.914 178.226 176.300 0.020 0.000 1.066 4175 M CA 0.988 56.304 55.300 0.027 0.000 1.123 4175 M CB 0.119 32.738 32.600 0.031 0.000 1.388 4175 M HN 0.112 nan 8.290 nan 0.000 0.425 4176 L N 0.782 122.016 121.223 0.018 0.000 2.156 4176 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 4176 L C 1.922 178.797 176.870 0.009 0.000 1.095 4176 L CA 1.371 56.218 54.840 0.010 0.000 0.770 4176 L CB -0.603 41.457 42.059 0.002 0.000 0.914 4176 L HN 0.275 nan 8.230 nan 0.000 0.439 4177 I N -0.074 120.503 120.570 0.011 0.000 2.315 4177 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 4177 I C 2.359 178.481 176.117 0.009 0.000 1.125 4177 I CA 1.110 62.416 61.300 0.010 0.000 1.392 4177 I CB -1.287 36.720 38.000 0.011 0.000 1.065 4177 I HN 0.387 nan 8.210 nan 0.000 0.424 4178 E N 0.651 120.857 120.200 0.011 0.000 2.150 4178 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 4178 E C 2.486 179.092 176.600 0.010 0.000 0.985 4178 E CA 0.795 57.202 56.400 0.011 0.000 0.814 4178 E CB -0.228 29.480 29.700 0.012 0.000 0.752 4178 E HN 0.343 nan 8.360 nan 0.000 0.466 4179 V N 1.756 121.676 119.914 0.010 0.000 2.287 4179 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 4179 V C 2.506 178.605 176.094 0.008 0.000 1.053 4179 V CA 1.950 64.256 62.300 0.010 0.000 1.027 4179 V CB -0.941 30.888 31.823 0.010 0.000 0.646 4179 V HN 0.251 nan 8.190 nan 0.000 0.447 4180 A N -0.355 122.469 122.820 0.006 0.000 1.902 4180 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 4180 A C 2.304 179.891 177.584 0.005 0.000 1.181 4180 A CA 2.031 54.071 52.037 0.005 0.000 0.623 4180 A CB -0.443 18.559 19.000 0.003 0.000 0.818 4180 A HN 0.557 nan 8.150 nan 0.000 0.443 4181 K N -1.021 119.383 120.400 0.006 0.000 2.097 4181 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 4181 K C 2.025 178.628 176.600 0.007 0.000 1.050 4181 K CA 1.672 57.962 56.287 0.006 0.000 0.938 4181 K CB -0.334 32.170 32.500 0.006 0.000 0.718 4181 K HN 0.462 nan 8.250 nan 0.000 0.442 4182 T N 0.975 115.534 114.554 0.008 0.000 2.904 4182 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 4182 T C 1.802 176.507 174.700 0.008 0.000 1.059 4182 T CA 1.129 63.234 62.100 0.009 0.000 1.137 4182 T CB -0.080 68.794 68.868 0.010 0.000 0.879 4182 T HN 0.153 nan 8.240 nan 0.000 0.467 4183 Q N 1.182 120.987 119.800 0.008 0.000 2.084 4183 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 4183 Q C 2.291 178.294 176.000 0.006 0.000 0.978 4183 Q CA 1.427 57.234 55.803 0.007 0.000 0.844 4183 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 4183 Q HN 0.362 nan 8.270 nan 0.000 0.426 4184 E N 0.177 120.380 120.200 0.005 0.000 2.047 4184 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 4184 E C 1.715 178.317 176.600 0.005 0.000 0.987 4184 E CA 1.132 57.534 56.400 0.004 0.000 0.799 4184 E CB 0.079 29.782 29.700 0.004 0.000 0.752 4184 E HN 0.368 nan 8.360 nan 0.000 0.449 4185 K N 0.210 120.613 120.400 0.005 0.000 2.057 4185 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 4185 K C 2.110 178.713 176.600 0.006 0.000 1.049 4185 K CA 1.088 57.379 56.287 0.005 0.000 0.931 4185 K CB 0.052 32.556 32.500 0.006 0.000 0.714 4185 K HN 0.028 nan 8.250 nan 0.000 0.440 4186 E N 0.089 120.293 120.200 0.007 0.000 2.051 4186 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 4186 E C 2.042 178.646 176.600 0.007 0.000 0.979 4186 E CA 1.149 57.553 56.400 0.007 0.000 0.803 4186 E CB 0.204 29.909 29.700 0.009 0.000 0.761 4186 E HN 0.073 nan 8.360 nan 0.000 0.451 4187 V N -1.508 118.410 119.914 0.007 0.000 3.484 4187 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 4187 V C 1.475 177.572 176.094 0.005 0.000 1.282 4187 V CA 0.734 63.038 62.300 0.006 0.000 1.104 4187 V CB 0.718 32.545 31.823 0.007 0.000 0.868 4187 V HN 0.411 nan 8.190 nan 0.000 0.457 4188 G N 0.718 109.521 108.800 0.004 0.000 5.064 4188 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.277 4188 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.277 4188 G C 0.042 174.943 174.900 0.003 0.000 1.580 4188 G CA 0.339 45.441 45.100 0.003 0.000 1.109 4188 G HN 0.463 nan 8.290 nan 0.000 0.695 4189 D N 1.632 122.033 120.400 0.002 0.000 2.383 4189 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 4189 D C 1.418 177.718 176.300 0.000 0.000 1.170 4189 D CA 1.458 55.459 54.000 0.001 0.000 0.977 4189 D CB 0.591 41.391 40.800 0.001 0.000 1.120 4189 D HN 1.826 nan 8.370 nan 0.000 0.481 4190 G N 0.087 108.886 108.800 -0.002 0.000 2.141 4190 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 4190 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 4190 G C 1.075 175.972 174.900 -0.004 0.000 0.984 4190 G CA 1.267 46.365 45.100 -0.004 0.000 0.660 4190 G HN 0.653 nan 8.290 nan 0.000 0.525 4191 T N -2.354 112.198 114.554 -0.002 0.000 2.674 4191 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 4191 T C 2.232 176.929 174.700 -0.005 0.000 1.039 4191 T CA 2.663 64.762 62.100 -0.002 0.000 1.150 4191 T CB -0.738 68.129 68.868 -0.001 0.000 0.864 4191 T HN 0.334 nan 8.240 nan 0.000 0.427 4192 T N 1.762 116.312 114.554 -0.007 0.000 2.777 4192 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 4192 T C 2.311 177.003 174.700 -0.014 0.000 1.040 4192 T CA 1.732 63.826 62.100 -0.010 0.000 1.141 4192 T CB -0.960 67.902 68.868 -0.010 0.000 0.868 4192 T HN 0.526 nan 8.240 nan 0.000 0.444 4193 T N 2.292 116.837 114.554 -0.015 0.000 2.652 4193 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 4193 T C 2.418 177.104 174.700 -0.022 0.000 1.039 4193 T CA 1.326 63.413 62.100 -0.022 0.000 1.153 4193 T CB -0.632 68.223 68.868 -0.021 0.000 0.863 4193 T HN 0.435 nan 8.240 nan 0.000 0.428 4194 A N 0.773 123.585 122.820 -0.014 0.000 1.933 4194 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 4194 A C 2.605 180.184 177.584 -0.008 0.000 1.175 4194 A CA 1.318 53.350 52.037 -0.009 0.000 0.628 4194 A CB -0.956 18.044 19.000 -0.000 0.000 0.814 4194 A HN 0.359 nan 8.150 nan 0.000 0.444 4195 V N -0.568 119.341 119.914 -0.009 0.000 2.307 4195 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 4195 V C 2.578 178.663 176.094 -0.015 0.000 1.045 4195 V CA 1.925 64.220 62.300 -0.009 0.000 1.024 4195 V CB -0.631 31.187 31.823 -0.009 0.000 0.651 4195 V HN 0.369 nan 8.190 nan 0.000 0.449 4196 V N -0.689 119.213 119.914 -0.020 0.000 2.307 4196 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 4196 V C 2.423 178.497 176.094 -0.034 0.000 1.045 4196 V CA 2.001 64.285 62.300 -0.026 0.000 1.024 4196 V CB -0.276 31.530 31.823 -0.029 0.000 0.651 4196 V HN 0.412 nan 8.190 nan 0.000 0.449 4197 V N 0.110 120.000 119.914 -0.041 0.000 2.358 4197 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 4197 V C 2.595 178.663 176.094 -0.044 0.000 1.047 4197 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 4197 V CB -0.372 31.407 31.823 -0.072 0.000 0.658 4197 V HN 0.520 nan 8.190 nan 0.000 0.452 4198 A N -0.190 122.618 122.820 -0.020 0.000 1.933 4198 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 4198 A C 2.307 179.896 177.584 0.009 0.000 1.175 4198 A CA 1.885 53.925 52.037 0.004 0.000 0.628 4198 A CB -1.221 17.786 19.000 0.011 0.000 0.814 4198 A HN 0.617 nan 8.150 nan 0.000 0.444 4199 G N -0.648 108.149 108.800 -0.005 0.000 2.414 4199 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 4199 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 4199 G C 1.429 176.328 174.900 -0.003 0.000 1.188 4199 G CA 0.854 45.951 45.100 -0.005 0.000 0.783 4199 G HN 0.451 nan 8.290 nan 0.000 0.537 4200 E N 0.393 120.584 120.200 -0.015 0.000 2.106 4200 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 4200 E C 2.694 179.294 176.600 0.000 0.000 0.984 4200 E CA 0.383 56.772 56.400 -0.018 0.000 0.806 4200 E CB -0.249 29.426 29.700 -0.043 0.000 0.750 4200 E HN 0.415 nan 8.360 nan 0.000 0.458 4201 L N 0.132 121.356 121.223 0.001 0.000 2.056 4201 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 4201 L C 2.394 179.354 176.870 0.150 0.000 1.078 4201 L CA 0.528 55.403 54.840 0.057 0.000 0.749 4201 L CB -0.283 41.792 42.059 0.027 0.000 0.901 4201 L HN 0.132 nan 8.230 nan 0.000 0.433 4202 L N -0.371 120.906 121.223 0.090 0.000 2.093 4202 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 4202 L C 2.674 179.575 176.870 0.052 0.000 1.085 4202 L CA 1.537 56.421 54.840 0.073 0.000 0.755 4202 L CB -0.779 41.305 42.059 0.043 0.000 0.904 4202 L HN 0.163 nan 8.230 nan 0.000 0.435 4203 R N -0.359 120.163 120.500 0.037 0.000 2.066 4203 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 4203 R C 2.281 178.602 176.300 0.035 0.000 1.131 4203 R CA 1.570 57.684 56.100 0.023 0.000 0.955 4203 R CB -0.059 30.246 30.300 0.009 0.000 0.851 4203 R HN 0.056 nan 8.270 nan 0.000 0.432 4204 K N 0.365 120.798 120.400 0.055 0.000 2.148 4204 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 4204 K C 1.667 178.323 176.600 0.094 0.000 1.050 4204 K CA 1.504 57.835 56.287 0.075 0.000 0.942 4204 K CB -0.204 32.351 32.500 0.092 0.000 0.724 4204 K HN 0.298 nan 8.250 nan 0.000 0.446 4205 A N 0.703 123.588 122.820 0.108 0.000 1.930 4205 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 4205 A C 2.112 179.704 177.584 0.012 0.000 1.175 4205 A CA 1.517 53.585 52.037 0.051 0.000 0.627 4205 A CB -0.525 18.504 19.000 0.048 0.000 0.815 4205 A HN 0.419 nan 8.150 nan 0.000 0.443 4206 E N 0.140 120.351 120.200 0.019 0.000 2.204 4206 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 4206 E C 1.848 178.450 176.600 0.004 0.000 0.989 4206 E CA 1.215 57.618 56.400 0.005 0.000 0.824 4206 E CB -0.157 29.547 29.700 0.005 0.000 0.756 4206 E HN 0.789 nan 8.360 nan 0.000 0.477 4207 E N 0.131 120.340 120.200 0.014 0.000 2.204 4207 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 4207 E C 2.228 178.834 176.600 0.010 0.000 0.990 4207 E CA 0.600 57.008 56.400 0.013 0.000 0.821 4207 E CB 0.038 29.751 29.700 0.021 0.000 0.750 4207 E HN 0.279 nan 8.360 nan 0.000 0.477 4208 L N 0.249 121.477 121.223 0.008 0.000 2.131 4208 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 4208 L C 2.458 179.322 176.870 -0.010 0.000 1.087 4208 L CA 0.469 55.309 54.840 0.000 0.000 0.767 4208 L CB -0.291 41.762 42.059 -0.010 0.000 0.917 4208 L HN 0.209 nan 8.230 nan 0.000 0.441 4209 L N -0.095 121.118 121.223 -0.017 0.000 2.046 4209 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 4209 L C 2.173 179.030 176.870 -0.022 0.000 1.077 4209 L CA 1.457 56.281 54.840 -0.028 0.000 0.747 4209 L CB -0.512 41.529 42.059 -0.031 0.000 0.896 4209 L HN 0.284 nan 8.230 nan 0.000 0.432 4210 D N -0.800 119.592 120.400 -0.012 0.000 2.219 4210 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 4210 D C 2.129 178.426 176.300 -0.005 0.000 0.970 4210 D CA 0.797 54.792 54.000 -0.008 0.000 0.851 4210 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 4210 D HN 0.142 nan 8.370 nan 0.000 0.488 4211 Q N 0.165 119.963 119.800 -0.003 0.000 2.482 4211 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 4211 Q C 0.008 176.007 176.000 -0.001 0.000 0.961 4211 Q CA 0.297 56.100 55.803 0.000 0.000 0.945 4211 Q CB -0.033 28.708 28.738 0.005 0.000 1.012 4211 Q HN 0.366 nan 8.270 nan 0.000 0.515 4212 N N -0.389 118.307 118.700 -0.008 0.000 2.814 4212 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 4212 N C -1.192 174.318 175.510 -0.000 0.000 1.089 4212 N CA 0.381 53.424 53.050 -0.011 0.000 0.682 4212 N CB -1.697 36.787 38.487 -0.006 0.000 0.970 4212 N HN -0.026 nan 8.380 nan 0.000 0.554 4213 V N 1.725 121.638 119.914 -0.001 0.000 2.328 4213 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 4213 V C 0.914 177.025 176.094 0.029 0.000 1.021 4213 V CA -0.767 61.544 62.300 0.018 0.000 0.838 4213 V CB 1.322 33.149 31.823 0.008 0.000 0.999 4213 V HN 0.331 nan 8.190 nan 0.000 0.447 4214 H N 9.455 128.510 119.070 -0.025 0.000 3.167 4214 H HA 0.001 4.557 4.556 0.000 0.000 0.306 4214 H C -1.410 173.893 175.328 -0.041 0.000 0.965 4214 H CA -1.101 54.931 56.048 -0.027 0.000 1.408 4214 H CB 1.483 31.232 29.762 -0.022 0.000 1.406 4214 H HN 0.373 nan 8.280 nan 0.000 0.576 4215 P HA -0.157 nan 4.420 nan 0.000 0.219 4215 P C 1.511 178.901 177.300 0.149 0.000 1.146 4215 P CA 1.332 64.483 63.100 0.085 0.000 0.808 4215 P CB 0.097 31.802 31.700 0.008 0.000 0.779 4216 T N -0.794 113.966 114.554 0.344 0.000 2.881 4216 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 4216 T C 1.773 176.457 174.700 -0.028 0.000 1.068 4216 T CA 0.838 62.963 62.100 0.042 0.000 1.131 4216 T CB -0.647 68.092 68.868 -0.216 0.000 0.871 4216 T HN -0.007 nan 8.240 nan 0.000 0.479 4217 I N 0.169 120.738 120.570 -0.003 0.000 2.233 4217 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 4217 I C 2.453 178.524 176.117 -0.076 0.000 1.093 4217 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 4217 I CB -0.352 37.644 38.000 -0.007 0.000 1.067 4217 I HN 0.087 nan 8.210 nan 0.000 0.413 4218 V N 0.392 120.240 119.914 -0.109 0.000 2.287 4218 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 4218 V C 2.410 178.259 176.094 -0.410 0.000 1.053 4218 V CA 1.877 64.005 62.300 -0.287 0.000 1.027 4218 V CB -0.528 31.123 31.823 -0.285 0.000 0.646 4218 V HN 0.359 nan 8.190 nan 0.000 0.447 4219 V N -0.304 119.486 119.914 -0.206 0.000 2.427 4219 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 4219 V C 2.579 178.654 176.094 -0.032 0.000 1.051 4219 V CA 2.295 64.536 62.300 -0.098 0.000 1.048 4219 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 4219 V HN 0.507 nan 8.190 nan 0.000 0.456 4220 K N 0.145 120.517 120.400 -0.047 0.000 2.025 4220 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 4220 K C 2.116 178.706 176.600 -0.017 0.000 1.049 4220 K CA 1.690 57.961 56.287 -0.028 0.000 0.933 4220 K CB -0.944 31.533 32.500 -0.038 0.000 0.714 4220 K HN 0.554 nan 8.250 nan 0.000 0.438 4221 G N 0.275 109.060 108.800 -0.025 0.000 2.440 4221 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 4221 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 4221 G C 1.403 176.364 174.900 0.102 0.000 1.154 4221 G CA 0.698 45.813 45.100 0.025 0.000 0.767 4221 G HN 0.253 nan 8.290 nan 0.000 0.552 4222 Y N 0.887 121.160 120.300 -0.046 0.000 2.200 4222 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 4222 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 4222 Y CA 0.728 58.780 58.100 -0.080 0.000 1.163 4222 Y CB -0.780 37.781 38.460 0.168 0.000 0.988 4222 Y HN 0.199 nan 8.280 nan 0.000 0.518 4223 Q N -0.304 119.531 119.800 0.058 0.000 2.030 4223 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 4223 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 4223 Q CA 1.639 57.434 55.803 -0.014 0.000 0.843 4223 Q CB -0.716 28.026 28.738 0.006 0.000 0.904 4223 Q HN 0.451 nan 8.270 nan 0.000 0.420 4224 A N 1.035 123.795 122.820 -0.100 0.000 1.883 4224 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 4224 A C 2.322 179.801 177.584 -0.176 0.000 1.186 4224 A CA 2.161 54.133 52.037 -0.108 0.000 0.624 4224 A CB -0.751 18.208 19.000 -0.068 0.000 0.822 4224 A HN 0.400 nan 8.150 nan 0.000 0.444 4225 A N -0.340 122.293 122.820 -0.312 0.000 1.930 4225 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 4225 A C 2.490 179.708 177.584 -0.610 0.000 1.175 4225 A CA 1.974 53.728 52.037 -0.471 0.000 0.627 4225 A CB -0.954 17.626 19.000 -0.701 0.000 0.815 4225 A HN 1.038 nan 8.150 nan 0.000 0.443 4226 A N -1.082 121.275 122.820 -0.771 0.000 1.877 4226 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 4226 A C 2.212 179.735 177.584 -0.100 0.000 1.186 4226 A CA 1.792 53.636 52.037 -0.322 0.000 0.620 4226 A CB -0.534 18.387 19.000 -0.132 0.000 0.822 4226 A HN 0.506 nan 8.150 nan 0.000 0.443 4227 Q N -0.127 119.611 119.800 -0.104 0.000 2.124 4227 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 4227 Q C 2.006 177.985 176.000 -0.035 0.000 0.977 4227 Q CA 2.109 57.883 55.803 -0.049 0.000 0.850 4227 Q CB -0.173 28.536 28.738 -0.049 0.000 0.901 4227 Q HN 0.539 nan 8.270 nan 0.000 0.429 4228 K N 0.378 120.748 120.400 -0.050 0.000 2.211 4228 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 4228 K C 1.749 178.375 176.600 0.043 0.000 1.050 4228 K CA 1.231 57.515 56.287 -0.005 0.000 0.945 4228 K CB -0.492 32.015 32.500 0.012 0.000 0.732 4228 K HN 0.192 nan 8.250 nan 0.000 0.451 4229 A N 0.584 123.424 122.820 0.034 0.000 1.933 4229 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 4229 A C 2.074 179.696 177.584 0.063 0.000 1.175 4229 A CA 1.626 53.712 52.037 0.081 0.000 0.628 4229 A CB -0.492 18.593 19.000 0.143 0.000 0.814 4229 A HN 0.510 nan 8.150 nan 0.000 0.444 4230 Q N -0.631 119.195 119.800 0.042 0.000 2.119 4230 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 4230 Q C 1.985 178.002 176.000 0.028 0.000 0.972 4230 Q CA 1.553 57.375 55.803 0.032 0.000 0.847 4230 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 4230 Q HN 0.777 nan 8.270 nan 0.000 0.433 4231 E N 0.586 120.802 120.200 0.026 0.000 2.051 4231 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 4231 E C 2.048 178.672 176.600 0.040 0.000 0.991 4231 E CA 0.865 57.281 56.400 0.025 0.000 0.799 4231 E CB -0.076 29.633 29.700 0.015 0.000 0.748 4231 E HN 0.297 nan 8.360 nan 0.000 0.449 4232 L N 0.460 121.720 121.223 0.060 0.000 2.083 4232 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 4232 L C 2.370 179.270 176.870 0.050 0.000 1.083 4232 L CA 0.437 55.319 54.840 0.071 0.000 0.752 4232 L CB -0.281 41.833 42.059 0.091 0.000 0.899 4232 L HN 0.169 nan 8.230 nan 0.000 0.433 4233 L N -0.092 121.157 121.223 0.042 0.000 2.046 4233 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 4233 L C 2.491 179.377 176.870 0.026 0.000 1.077 4233 L CA 1.751 56.609 54.840 0.031 0.000 0.747 4233 L CB -0.668 41.408 42.059 0.028 0.000 0.896 4233 L HN 0.145 nan 8.230 nan 0.000 0.432 4234 K N -1.580 118.835 120.400 0.025 0.000 2.148 4234 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 4234 K C 1.889 178.502 176.600 0.022 0.000 1.050 4234 K CA 1.566 57.865 56.287 0.020 0.000 0.942 4234 K CB -0.194 32.316 32.500 0.017 0.000 0.724 4234 K HN 0.334 nan 8.250 nan 0.000 0.446 4235 T N 1.768 116.339 114.554 0.028 0.000 2.851 4235 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 4235 T C 1.898 176.616 174.700 0.031 0.000 1.043 4235 T CA 1.106 63.224 62.100 0.031 0.000 1.140 4235 T CB -0.092 68.801 68.868 0.041 0.000 0.872 4235 T HN 0.361 nan 8.240 nan 0.000 0.446 4236 I N -0.097 120.493 120.570 0.034 0.000 3.226 4236 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 4236 I C 1.147 177.281 176.117 0.028 0.000 1.243 4236 I CA -0.460 60.861 61.300 0.035 0.000 1.459 4236 I CB -0.525 37.500 38.000 0.042 0.000 1.093 4236 I HN -0.050 nan 8.210 nan 0.000 0.453 4237 A N 1.515 124.349 122.820 0.023 0.000 2.567 4237 A HA 0.074 4.394 4.320 -0.000 0.000 0.240 4237 A C 0.203 177.797 177.584 0.016 0.000 1.053 4237 A CA -0.009 52.039 52.037 0.018 0.000 0.755 4237 A CB -0.248 18.761 19.000 0.015 0.000 0.978 4237 A HN 0.640 nan 8.150 nan 0.000 0.507 4238 C N 4.085 123.394 119.300 0.015 0.000 2.281 4238 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 4238 C C 0.282 175.278 174.990 0.010 0.000 1.217 4238 C CA -0.738 58.288 59.018 0.013 0.000 1.730 4238 C CB -1.483 26.265 27.740 0.013 0.000 2.338 4238 C HN 0.886 nan 8.230 nan 0.000 0.521 4239 E N 3.296 123.502 120.200 0.009 0.000 2.360 4239 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 4239 E C 0.112 176.716 176.600 0.007 0.000 1.022 4239 E CA 0.113 56.517 56.400 0.008 0.000 0.887 4239 E CB 0.913 30.617 29.700 0.007 0.000 0.990 4239 E HN 0.678 nan 8.360 nan 0.000 0.426 4240 V N -0.929 118.989 119.914 0.006 0.000 3.130 4240 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 4240 V C 0.381 176.478 176.094 0.005 0.000 1.158 4240 V CA -1.243 61.060 62.300 0.006 0.000 1.029 4240 V CB 1.803 33.630 31.823 0.006 0.000 1.057 4240 V HN 0.653 nan 8.190 nan 0.000 0.436 4241 G N 0.520 109.323 108.800 0.005 0.000 2.335 4241 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 4241 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 4241 G C 1.012 175.915 174.900 0.005 0.000 1.228 4241 G CA 0.234 45.337 45.100 0.004 0.000 0.968 4241 G HN 1.662 nan 8.290 nan 0.000 0.459 4242 A N 2.759 125.582 122.820 0.004 0.000 1.917 4242 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 4242 A C 1.949 179.536 177.584 0.005 0.000 1.182 4242 A CA 1.515 53.555 52.037 0.004 0.000 0.633 4242 A CB -0.124 18.878 19.000 0.004 0.000 0.819 4242 A HN 0.658 nan 8.150 nan 0.000 0.448 4243 Q N -0.309 119.494 119.800 0.005 0.000 2.201 4243 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 4243 Q C -0.713 175.291 176.000 0.006 0.000 0.857 4243 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 4243 Q CB 0.361 29.102 28.738 0.005 0.000 1.124 4243 Q HN 0.559 nan 8.270 nan 0.000 0.473 4244 D N 1.338 121.741 120.400 0.006 0.000 2.382 4244 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 4244 D C 0.906 177.210 176.300 0.007 0.000 1.224 4244 D CA 0.276 54.279 54.000 0.006 0.000 0.894 4244 D CB 1.170 41.974 40.800 0.006 0.000 1.127 4244 D HN -0.073 nan 8.370 nan 0.000 0.487 4245 K N 3.978 124.383 120.400 0.008 0.000 2.000 4245 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 4245 K C 1.622 178.227 176.600 0.009 0.000 1.053 4245 K CA 2.121 58.413 56.287 0.008 0.000 0.946 4245 K CB -0.316 32.190 32.500 0.008 0.000 0.723 4245 K HN 0.422 nan 8.250 nan 0.000 0.446 4246 E N 0.304 120.509 120.200 0.008 0.000 2.049 4246 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 4246 E C 1.980 178.585 176.600 0.009 0.000 1.007 4246 E CA 2.104 58.509 56.400 0.008 0.000 0.809 4246 E CB -0.379 29.326 29.700 0.007 0.000 0.749 4246 E HN 0.470 nan 8.360 nan 0.000 0.450 4247 I N -0.047 120.528 120.570 0.008 0.000 2.361 4247 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 4247 I C 1.871 177.993 176.117 0.010 0.000 1.133 4247 I CA 0.314 61.620 61.300 0.009 0.000 1.413 4247 I CB -0.167 37.838 38.000 0.008 0.000 1.073 4247 I HN 0.189 nan 8.210 nan 0.000 0.424 4248 L N 0.235 121.463 121.223 0.009 0.000 2.046 4248 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 4248 L C 2.578 179.455 176.870 0.011 0.000 1.077 4248 L CA 1.968 56.815 54.840 0.010 0.000 0.747 4248 L CB -1.270 40.794 42.059 0.010 0.000 0.896 4248 L HN 0.184 nan 8.230 nan 0.000 0.432 4249 T N -1.354 113.207 114.554 0.011 0.000 2.833 4249 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 4249 T C 1.992 176.700 174.700 0.014 0.000 1.054 4249 T CA 1.120 63.227 62.100 0.012 0.000 1.135 4249 T CB -0.025 68.849 68.868 0.011 0.000 0.869 4249 T HN 0.061 nan 8.240 nan 0.000 0.466 4250 K N 0.901 121.309 120.400 0.014 0.000 2.057 4250 K HA 0.174 4.494 4.320 -0.000 0.000 0.206 4250 K C 1.997 178.607 176.600 0.018 0.000 1.050 4250 K CA 0.787 57.083 56.287 0.016 0.000 0.935 4250 K CB -0.463 32.046 32.500 0.014 0.000 0.715 4250 K HN 0.339 nan 8.250 nan 0.000 0.439 4251 I N 0.191 120.770 120.570 0.015 0.000 2.142 4251 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 4251 I C 2.224 178.352 176.117 0.019 0.000 1.078 4251 I CA 1.348 62.657 61.300 0.016 0.000 1.343 4251 I CB -0.440 37.568 38.000 0.013 0.000 1.046 4251 I HN 0.145 nan 8.210 nan 0.000 0.405 4252 A N 0.573 123.403 122.820 0.017 0.000 1.841 4252 A HA -0.302 4.018 4.320 -0.000 0.000 0.216 4252 A C 2.431 180.027 177.584 0.020 0.000 1.199 4252 A CA 2.196 54.243 52.037 0.017 0.000 0.621 4252 A CB -0.849 18.160 19.000 0.014 0.000 0.835 4252 A HN 0.433 nan 8.150 nan 0.000 0.445 4253 M N -0.652 118.960 119.600 0.020 0.000 2.149 4253 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 4253 M C 2.057 178.376 176.300 0.032 0.000 1.064 4253 M CA 2.143 57.456 55.300 0.021 0.000 1.102 4253 M CB -0.352 32.259 32.600 0.019 0.000 1.369 4253 M HN 0.496 nan 8.290 nan 0.000 0.408 4254 T N 0.032 114.608 114.554 0.037 0.000 2.788 4254 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 4254 T C 1.820 176.562 174.700 0.069 0.000 1.044 4254 T CA 1.746 63.878 62.100 0.054 0.000 1.139 4254 T CB -0.188 68.706 68.868 0.043 0.000 0.867 4254 T HN 0.446 nan 8.240 nan 0.000 0.454 4255 S N 1.150 116.880 115.700 0.050 0.000 2.345 4255 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 4255 S C 2.061 176.689 174.600 0.047 0.000 1.031 4255 S CA 0.921 59.152 58.200 0.051 0.000 0.996 4255 S CB -0.398 62.822 63.200 0.034 0.000 0.882 4255 S HN 0.421 nan 8.310 nan 0.000 0.445 4256 I N 1.796 122.384 120.570 0.030 0.000 2.286 4256 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 4256 I C 1.143 177.263 176.117 0.005 0.000 1.115 4256 I CA 0.653 61.962 61.300 0.014 0.000 1.392 4256 I CB -1.022 36.983 38.000 0.009 0.000 1.065 4256 I HN 0.330 nan 8.210 nan 0.000 0.418 4257 T N 0.096 114.662 114.554 0.019 0.000 2.934 4257 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 4257 T C 1.090 175.765 174.700 -0.042 0.000 1.042 4257 T CA 0.138 62.239 62.100 0.001 0.000 1.145 4257 T CB 1.106 69.996 68.868 0.037 0.000 0.982 4257 T HN 0.646 nan 8.240 nan 0.000 0.544 4258 G N 1.944 110.664 108.800 -0.134 0.000 2.157 4258 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 4258 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 4258 G C -0.066 174.720 174.900 -0.190 0.000 0.982 4258 G CA 0.207 45.133 45.100 -0.288 0.000 0.650 4258 G HN 0.905 nan 8.290 nan 0.000 0.527 4259 K N -0.953 119.382 120.400 -0.108 0.000 2.352 4259 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 4259 K C 1.610 178.165 176.600 -0.075 0.000 1.017 4259 K CA -0.557 55.682 56.287 -0.081 0.000 0.851 4259 K CB 1.269 33.739 32.500 -0.049 0.000 1.261 4259 K HN 0.174 nan 8.250 nan 0.000 0.451 4260 G N 0.511 109.267 108.800 -0.074 0.000 2.442 4260 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 4260 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 4260 G C 1.206 176.077 174.900 -0.049 0.000 1.141 4260 G CA 1.260 46.321 45.100 -0.066 0.000 0.763 4260 G HN 0.613 nan 8.290 nan 0.000 0.554 4261 A N 0.275 123.070 122.820 -0.043 0.000 2.209 4261 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 4261 A C 2.018 179.588 177.584 -0.024 0.000 1.158 4261 A CA 1.456 53.476 52.037 -0.028 0.000 0.742 4261 A CB -0.247 18.740 19.000 -0.021 0.000 0.790 4261 A HN 0.368 nan 8.150 nan 0.000 0.472 4262 E N 0.965 121.147 120.200 -0.031 0.000 2.267 4262 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 4262 E C 1.150 177.738 176.600 -0.020 0.000 0.998 4262 E CA 0.913 57.297 56.400 -0.026 0.000 0.830 4262 E CB -0.115 29.561 29.700 -0.040 0.000 0.751 4262 E HN 0.443 nan 8.360 nan 0.000 0.491 4263 K N -0.165 120.222 120.400 -0.021 0.000 2.160 4263 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 4263 K C 1.258 177.851 176.600 -0.010 0.000 1.047 4263 K CA 1.251 57.528 56.287 -0.016 0.000 0.930 4263 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 4263 K HN 0.113 nan 8.250 nan 0.000 0.450 4264 A N 1.450 124.265 122.820 -0.009 0.000 2.855 4264 A HA 0.106 4.426 4.320 -0.000 0.000 0.301 4264 A C 1.312 178.895 177.584 -0.002 0.000 1.076 4264 A CA -0.447 51.588 52.037 -0.004 0.000 1.004 4264 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 4264 A HN 0.272 nan 8.150 nan 0.000 0.531 4265 K N -0.171 120.228 120.400 -0.002 0.000 2.147 4265 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 4265 K C 0.930 177.533 176.600 0.005 0.000 1.049 4265 K CA 1.815 58.103 56.287 0.002 0.000 0.936 4265 K CB -0.075 32.427 32.500 0.002 0.000 0.722 4265 K HN 0.314 nan 8.250 nan 0.000 0.446 4266 E N 1.624 121.826 120.200 0.004 0.000 2.028 4266 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 4266 E C 1.986 178.590 176.600 0.006 0.000 0.988 4266 E CA 1.379 57.783 56.400 0.006 0.000 0.799 4266 E CB -0.052 29.651 29.700 0.005 0.000 0.755 4266 E HN 0.372 nan 8.360 nan 0.000 0.447 4267 K N 0.218 120.621 120.400 0.005 0.000 2.026 4267 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 4267 K C 1.809 178.414 176.600 0.008 0.000 1.048 4267 K CA 0.900 57.191 56.287 0.007 0.000 0.929 4267 K CB -0.050 32.453 32.500 0.006 0.000 0.713 4267 K HN -0.003 nan 8.250 nan 0.000 0.439 4268 L N 1.060 122.287 121.223 0.008 0.000 2.046 4268 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 4268 L C 2.469 179.346 176.870 0.010 0.000 1.077 4268 L CA 1.982 56.827 54.840 0.009 0.000 0.747 4268 L CB -1.054 41.008 42.059 0.007 0.000 0.896 4268 L HN 0.254 nan 8.230 nan 0.000 0.432 4269 A N -0.996 121.830 122.820 0.010 0.000 1.933 4269 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 4269 A C 2.304 179.895 177.584 0.011 0.000 1.175 4269 A CA 1.715 53.759 52.037 0.011 0.000 0.628 4269 A CB -0.456 18.551 19.000 0.012 0.000 0.814 4269 A HN 0.406 nan 8.150 nan 0.000 0.444 4270 E N 0.736 120.942 120.200 0.011 0.000 2.028 4270 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 4270 E C 1.867 178.474 176.600 0.013 0.000 0.988 4270 E CA 1.726 58.133 56.400 0.011 0.000 0.799 4270 E CB -0.501 29.206 29.700 0.010 0.000 0.755 4270 E HN 0.724 nan 8.360 nan 0.000 0.447 4271 I N -1.461 119.117 120.570 0.013 0.000 2.286 4271 I HA -0.178 3.991 4.170 -0.000 0.000 0.248 4271 I C 2.220 178.345 176.117 0.015 0.000 1.115 4271 I CA 1.265 62.574 61.300 0.015 0.000 1.392 4271 I CB -0.455 37.554 38.000 0.016 0.000 1.065 4271 I HN 0.038 nan 8.210 nan 0.000 0.418 4272 I N 0.970 121.548 120.570 0.013 0.000 2.202 4272 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 4272 I C 2.660 178.784 176.117 0.012 0.000 1.091 4272 I CA 1.029 62.336 61.300 0.013 0.000 1.368 4272 I CB -0.279 37.728 38.000 0.012 0.000 1.058 4272 I HN 0.085 nan 8.210 nan 0.000 0.410 4273 V N 0.828 120.749 119.914 0.012 0.000 2.343 4273 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 4273 V C 2.522 178.624 176.094 0.013 0.000 1.051 4273 V CA 2.151 64.458 62.300 0.012 0.000 1.036 4273 V CB -0.582 31.248 31.823 0.012 0.000 0.654 4273 V HN 0.436 nan 8.190 nan 0.000 0.451 4274 E N 0.883 121.091 120.200 0.015 0.000 2.072 4274 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 4274 E C 2.115 178.726 176.600 0.018 0.000 0.985 4274 E CA 1.674 58.084 56.400 0.017 0.000 0.801 4274 E CB -0.505 29.206 29.700 0.018 0.000 0.750 4274 E HN 0.484 nan 8.360 nan 0.000 0.452 4275 A N 0.228 123.057 122.820 0.016 0.000 1.883 4275 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 4275 A C 2.529 180.121 177.584 0.014 0.000 1.186 4275 A CA 1.945 53.991 52.037 0.015 0.000 0.624 4275 A CB -0.965 18.043 19.000 0.013 0.000 0.822 4275 A HN 0.206 nan 8.150 nan 0.000 0.444 4276 V N -0.473 119.448 119.914 0.012 0.000 2.295 4276 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 4276 V C 2.792 178.893 176.094 0.011 0.000 1.049 4276 V CA 2.325 64.631 62.300 0.010 0.000 1.024 4276 V CB -0.926 30.902 31.823 0.009 0.000 0.648 4276 V HN 0.664 nan 8.190 nan 0.000 0.447 4277 S N -0.217 115.490 115.700 0.012 0.000 2.383 4277 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 4277 S C 2.074 176.683 174.600 0.015 0.000 1.030 4277 S CA 1.705 59.912 58.200 0.012 0.000 1.002 4277 S CB -0.313 62.895 63.200 0.014 0.000 0.829 4277 S HN 0.622 nan 8.310 nan 0.000 0.467 4278 A N 0.834 123.666 122.820 0.020 0.000 1.898 4278 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 4278 A C 2.371 179.967 177.584 0.021 0.000 1.181 4278 A CA 1.735 53.788 52.037 0.027 0.000 0.620 4278 A CB -0.939 18.082 19.000 0.034 0.000 0.819 4278 A HN 0.944 nan 8.150 nan 0.000 0.442 4279 V N -3.166 116.757 119.914 0.015 0.000 2.951 4279 V HA -0.001 4.119 4.120 -0.000 0.000 0.255 4279 V C 2.059 178.157 176.094 0.006 0.000 1.088 4279 V CA 1.436 63.742 62.300 0.010 0.000 1.109 4279 V CB -0.542 31.285 31.823 0.007 0.000 0.724 4279 V HN 0.179 nan 8.190 nan 0.000 0.471 4280 V N 0.585 120.503 119.914 0.006 0.000 2.626 4280 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 4280 V C 1.700 177.794 176.094 0.000 0.000 1.067 4280 V CA 2.447 64.749 62.300 0.003 0.000 1.081 4280 V CB -0.516 31.309 31.823 0.004 0.000 0.686 4280 V HN 0.850 nan 8.190 nan 0.000 0.468 4281 D N -0.734 119.666 120.400 -0.000 0.000 4.508 4281 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 4281 D C 0.637 176.933 176.300 -0.007 0.000 0.644 4281 D CA 1.990 55.987 54.000 -0.006 0.000 1.244 4281 D CB -1.207 39.588 40.800 -0.007 0.000 0.727 4281 D HN 0.576 nan 8.370 nan 0.000 0.495 4282 D N 1.331 121.726 120.400 -0.007 0.000 2.377 4282 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 4282 D C -0.212 176.086 176.300 -0.003 0.000 1.196 4282 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 4282 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 4282 D HN 0.290 nan 8.370 nan 0.000 0.471 4283 E N 0.337 120.535 120.200 -0.003 0.000 2.136 4283 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 4283 E C -0.923 175.676 176.600 -0.001 0.000 1.017 4283 E CA -0.589 55.810 56.400 -0.001 0.000 0.883 4283 E CB -0.416 29.284 29.700 -0.001 0.000 1.199 4283 E HN 0.494 nan 8.360 nan 0.000 0.447 4284 G N 2.368 111.168 108.800 -0.000 0.000 2.405 4284 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 4284 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 4284 G C -1.923 172.977 174.900 0.000 0.000 1.644 4284 G CA -0.937 44.163 45.100 -0.000 0.000 0.899 4284 G HN 0.210 nan 8.290 nan 0.000 0.667 4285 K N 0.365 120.765 120.400 -0.000 0.000 2.427 4285 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 4285 K C -1.292 175.308 176.600 0.001 0.000 0.931 4285 K CA -0.776 55.511 56.287 0.000 0.000 0.793 4285 K CB 2.346 34.846 32.500 -0.000 0.000 1.211 4285 K HN 1.021 nan 8.250 nan 0.000 0.426 4286 V N 2.886 122.801 119.914 0.001 0.000 2.555 4286 V HA 0.562 4.682 4.120 -0.000 0.000 0.302 4286 V C -1.580 174.515 176.094 0.001 0.000 1.038 4286 V CA -0.525 61.776 62.300 0.001 0.000 0.887 4286 V CB 1.842 33.667 31.823 0.003 0.000 0.991 4286 V HN 0.894 nan 8.190 nan 0.000 0.434 4287 D N 4.701 125.101 120.400 0.000 0.000 2.461 4287 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 4287 D C 0.771 177.070 176.300 -0.001 0.000 1.094 4287 D CA -0.299 53.700 54.000 -0.001 0.000 0.868 4287 D CB 1.627 42.425 40.800 -0.003 0.000 1.062 4287 D HN 0.657 nan 8.370 nan 0.000 0.530 4288 K N 2.598 122.997 120.400 -0.001 0.000 2.520 4288 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 4288 K C 0.823 177.421 176.600 -0.003 0.000 1.043 4288 K CA 0.878 57.164 56.287 -0.001 0.000 0.944 4288 K CB 0.235 32.735 32.500 0.001 0.000 0.770 4288 K HN 0.281 nan 8.250 nan 0.000 0.480 4289 D N 0.229 120.626 120.400 -0.005 0.000 2.264 4289 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 4289 D C 1.320 177.613 176.300 -0.011 0.000 0.966 4289 D CA 0.731 54.726 54.000 -0.009 0.000 0.864 4289 D CB 0.177 40.971 40.800 -0.009 0.000 0.933 4289 D HN 0.258 nan 8.370 nan 0.000 0.499 4290 L N -0.106 121.112 121.223 -0.008 0.000 2.591 4290 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 4290 L C 0.269 177.135 176.870 -0.007 0.000 1.133 4290 L CA 0.123 54.957 54.840 -0.009 0.000 0.880 4290 L CB 0.143 42.200 42.059 -0.004 0.000 1.033 4290 L HN 0.011 nan 8.230 nan 0.000 0.450 4291 I N 0.700 121.266 120.570 -0.006 0.000 2.405 4291 I HA 0.182 4.352 4.170 -0.000 0.000 0.280 4291 I C 0.125 176.237 176.117 -0.008 0.000 1.027 4291 I CA -0.325 60.972 61.300 -0.004 0.000 1.161 4291 I CB 1.262 39.262 38.000 0.001 0.000 1.300 4291 I HN -0.007 nan 8.210 nan 0.000 0.463 4292 K N 6.356 126.748 120.400 -0.013 0.000 2.185 4292 K HA 0.470 4.790 4.320 -0.000 0.000 0.271 4292 K C -0.739 175.853 176.600 -0.013 0.000 1.013 4292 K CA -0.471 55.805 56.287 -0.018 0.000 0.943 4292 K CB 1.061 33.542 32.500 -0.031 0.000 0.998 4292 K HN 0.437 nan 8.250 nan 0.000 0.468 4293 I N 3.929 124.492 120.570 -0.012 0.000 2.390 4293 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 4293 I C -0.555 175.556 176.117 -0.010 0.000 1.016 4293 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 4293 I CB 0.977 38.977 38.000 -0.000 0.000 1.293 4293 I HN 0.686 nan 8.210 nan 0.000 0.458 4294 E N 7.559 127.752 120.200 -0.013 0.000 2.151 4294 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 4294 E C -0.890 175.710 176.600 0.000 0.000 0.936 4294 E CA -0.625 55.765 56.400 -0.016 0.000 0.777 4294 E CB 1.144 30.820 29.700 -0.040 0.000 1.108 4294 E HN 0.539 nan 8.360 nan 0.000 0.401 4295 K N 2.782 123.184 120.400 0.004 0.000 2.471 4295 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 4295 K C -1.121 175.490 176.600 0.017 0.000 0.938 4295 K CA -1.164 55.132 56.287 0.015 0.000 0.796 4295 K CB 1.632 34.141 32.500 0.016 0.000 1.161 4295 K HN 0.179 nan 8.250 nan 0.000 0.425 4296 K N 1.875 122.290 120.400 0.025 0.000 2.578 4296 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 4296 K C -1.018 175.600 176.600 0.030 0.000 0.955 4296 K CA -0.376 55.928 56.287 0.028 0.000 0.825 4296 K CB 2.071 34.593 32.500 0.035 0.000 1.151 4296 K HN 0.701 nan 8.250 nan 0.000 0.432 4297 S N 2.628 118.344 115.700 0.027 0.000 2.563 4297 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 4297 S C 0.110 174.725 174.600 0.025 0.000 1.331 4297 S CA 1.270 59.485 58.200 0.025 0.000 1.047 4297 S CB -0.146 63.070 63.200 0.026 0.000 0.859 4297 S HN 1.087 nan 8.310 nan 0.000 0.514 4298 G N 1.501 110.314 108.800 0.021 0.000 2.375 4298 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 4298 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 4298 G C -0.114 174.796 174.900 0.018 0.000 1.391 4298 G CA -0.011 45.101 45.100 0.020 0.000 0.949 4298 G HN 2.128 nan 8.290 nan 0.000 0.646 4299 A N -0.626 122.202 122.820 0.014 0.000 5.949 4299 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 4299 A C 1.158 178.747 177.584 0.008 0.000 2.055 4299 A CA 1.932 53.975 52.037 0.010 0.000 0.713 4299 A CB -1.612 17.396 19.000 0.013 0.000 1.146 4299 A HN 2.691 nan 8.150 nan 0.000 0.370 4300 S N -2.944 112.759 115.700 0.005 0.000 2.806 4300 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 4300 S C 1.073 175.675 174.600 0.003 0.000 1.127 4300 S CA 0.217 58.419 58.200 0.002 0.000 0.918 4300 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 4300 S HN 1.905 nan 8.310 nan 0.000 0.552 4301 I N 1.868 122.437 120.570 -0.002 0.000 2.493 4301 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 4301 I C 1.282 177.400 176.117 0.000 0.000 1.160 4301 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 4301 I CB -0.423 37.572 38.000 -0.009 0.000 1.086 4301 I HN 0.581 nan 8.210 nan 0.000 0.433 4302 D N 0.696 121.095 120.400 -0.001 0.000 2.178 4302 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 4302 D C 1.560 177.861 176.300 0.003 0.000 0.980 4302 D CA 1.345 55.345 54.000 -0.000 0.000 0.842 4302 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 4302 D HN 0.444 nan 8.370 nan 0.000 0.472 4303 D N -0.351 120.052 120.400 0.005 0.000 2.348 4303 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 4303 D C 0.362 176.672 176.300 0.016 0.000 0.970 4303 D CA 0.500 54.505 54.000 0.009 0.000 0.889 4303 D CB -0.045 40.762 40.800 0.010 0.000 0.912 4303 D HN 0.020 nan 8.370 nan 0.000 0.524 4304 T N 1.322 115.886 114.554 0.016 0.000 2.908 4304 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 4304 T C 0.318 175.032 174.700 0.024 0.000 1.092 4304 T CA 0.286 62.399 62.100 0.022 0.000 1.125 4304 T CB 0.423 69.301 68.868 0.016 0.000 1.016 4304 T HN 0.318 nan 8.240 nan 0.000 0.550 4305 E N 0.756 120.976 120.200 0.033 0.000 2.429 4305 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 4305 E C -1.814 174.810 176.600 0.040 0.000 1.068 4305 E CA -1.082 55.339 56.400 0.034 0.000 0.837 4305 E CB 0.969 30.691 29.700 0.037 0.000 1.357 4305 E HN 0.349 nan 8.360 nan 0.000 0.455 4306 L N 1.226 122.471 121.223 0.036 0.000 2.317 4306 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 4306 L C -1.532 175.366 176.870 0.047 0.000 1.024 4306 L CA -0.551 54.311 54.840 0.037 0.000 0.810 4306 L CB 1.343 43.418 42.059 0.026 0.000 1.240 4306 L HN 0.626 nan 8.230 nan 0.000 0.427 4307 I N 4.316 124.918 120.570 0.054 0.000 2.411 4307 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 4307 I C -0.226 175.918 176.117 0.046 0.000 1.012 4307 I CA -0.476 60.865 61.300 0.069 0.000 1.119 4307 I CB 1.359 39.430 38.000 0.118 0.000 1.261 4307 I HN 0.419 nan 8.210 nan 0.000 0.448 4308 K N 4.799 125.221 120.400 0.036 0.000 2.199 4308 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 4308 K C 0.427 177.041 176.600 0.023 0.000 1.237 4308 K CA 0.066 56.367 56.287 0.024 0.000 1.170 4308 K CB -0.336 32.172 32.500 0.013 0.000 1.418 4308 K HN 0.874 nan 8.250 nan 0.000 0.255 4309 G N -1.401 107.413 108.800 0.023 0.000 2.441 4309 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 4309 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 4309 G C -1.617 173.282 174.900 -0.001 0.000 1.200 4309 G CA -0.630 44.480 45.100 0.017 0.000 0.947 4309 G HN 0.064 nan 8.290 nan 0.000 0.484 4310 V N 0.381 120.285 119.914 -0.016 0.000 3.007 4310 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 4310 V C -0.876 175.144 176.094 -0.125 0.000 1.120 4310 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 4310 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 4310 V HN 0.829 nan 8.190 nan 0.000 0.429 4311 L N 4.054 125.161 121.223 -0.194 0.000 2.345 4311 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 4311 L C -1.204 175.507 176.870 -0.266 0.000 0.999 4311 L CA -0.368 54.239 54.840 -0.389 0.000 0.849 4311 L CB 1.459 43.227 42.059 -0.485 0.000 1.220 4311 L HN 0.487 nan 8.230 nan 0.000 0.422 4312 V N 3.325 123.099 119.914 -0.234 0.000 2.472 4312 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 4312 V C -0.220 175.809 176.094 -0.108 0.000 1.037 4312 V CA -0.657 61.571 62.300 -0.121 0.000 0.908 4312 V CB 1.703 33.502 31.823 -0.040 0.000 0.985 4312 V HN 0.778 nan 8.190 nan 0.000 0.454 4313 D N 3.412 123.772 120.400 -0.066 0.000 2.896 4313 D HA 0.277 4.917 4.640 -0.000 0.000 0.240 4313 D C -0.142 176.155 176.300 -0.005 0.000 1.193 4313 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 4313 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 4313 D HN 0.500 nan 8.370 nan 0.000 0.496 4314 K N -0.087 120.318 120.400 0.010 0.000 2.439 4314 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 4314 K C -0.634 175.986 176.600 0.034 0.000 1.032 4314 K CA -0.919 55.386 56.287 0.031 0.000 0.882 4314 K CB 2.545 35.080 32.500 0.059 0.000 1.420 4314 K HN 0.088 nan 8.250 nan 0.000 0.455 4315 E N 0.706 120.923 120.200 0.029 0.000 2.320 4315 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 4315 E C -1.071 175.533 176.600 0.007 0.000 0.923 4315 E CA -0.840 55.574 56.400 0.024 0.000 0.796 4315 E CB 1.566 31.278 29.700 0.020 0.000 1.262 4315 E HN 0.288 nan 8.360 nan 0.000 0.428 4316 R N 1.825 122.326 120.500 0.002 0.000 2.404 4316 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 4316 R C 1.089 177.378 176.300 -0.018 0.000 1.032 4316 R CA -0.224 55.862 56.100 -0.022 0.000 0.992 4316 R CB 0.469 30.760 30.300 -0.016 0.000 0.959 4316 R HN 0.376 nan 8.270 nan 0.000 0.428 4317 V N 1.773 121.668 119.914 -0.032 0.000 2.380 4317 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 4317 V C 1.211 177.299 176.094 -0.010 0.000 1.063 4317 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 4317 V CB -0.239 31.562 31.823 -0.036 0.000 0.657 4317 V HN 0.709 nan 8.190 nan 0.000 0.455 4318 S N -1.413 114.283 115.700 -0.007 0.000 2.501 4318 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 4318 S C 0.872 175.478 174.600 0.011 0.000 1.096 4318 S CA -0.186 58.022 58.200 0.012 0.000 1.063 4318 S CB 1.894 65.112 63.200 0.029 0.000 1.042 4318 S HN 0.311 nan 8.310 nan 0.000 0.494 4319 A N 3.440 126.269 122.820 0.015 0.000 1.930 4319 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 4319 A C 1.919 179.509 177.584 0.009 0.000 1.175 4319 A CA 1.022 53.065 52.037 0.010 0.000 0.627 4319 A CB -0.475 18.529 19.000 0.008 0.000 0.815 4319 A HN 0.806 nan 8.150 nan 0.000 0.443 4320 Q N -0.490 119.317 119.800 0.013 0.000 2.472 4320 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 4320 Q C 0.493 176.501 176.000 0.014 0.000 0.958 4320 Q CA 0.208 56.017 55.803 0.011 0.000 0.932 4320 Q CB -0.338 28.406 28.738 0.010 0.000 1.007 4320 Q HN 0.692 nan 8.270 nan 0.000 0.508 4321 M N 1.797 121.405 119.600 0.013 0.000 2.248 4321 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 4321 M C -1.948 174.356 176.300 0.006 0.000 1.121 4321 M CA -1.429 53.876 55.300 0.008 0.000 1.155 4321 M CB -0.104 32.495 32.600 -0.003 0.000 1.514 4321 M HN -0.194 nan 8.290 nan 0.000 0.452 4322 P HA 0.003 nan 4.420 nan 0.000 0.267 4322 P C -0.328 176.976 177.300 0.007 0.000 1.200 4322 P CA 0.195 63.299 63.100 0.007 0.000 0.772 4322 P CB 0.468 32.172 31.700 0.007 0.000 0.855 4323 K N 1.271 121.676 120.400 0.008 0.000 2.393 4323 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 4323 K C 0.089 176.697 176.600 0.014 0.000 1.026 4323 K CA 0.432 56.726 56.287 0.011 0.000 1.064 4323 K CB 0.183 32.688 32.500 0.009 0.000 0.833 4323 K HN 0.142 nan 8.250 nan 0.000 0.521 4324 K N 0.247 120.655 120.400 0.012 0.000 2.571 4324 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 4324 K C -2.224 174.384 176.600 0.013 0.000 0.956 4324 K CA -0.656 55.639 56.287 0.013 0.000 0.822 4324 K CB 2.036 34.541 32.500 0.008 0.000 1.286 4324 K HN -0.117 nan 8.250 nan 0.000 0.439 4325 V N 3.897 123.822 119.914 0.018 0.000 2.638 4325 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 4325 V C -1.256 174.850 176.094 0.020 0.000 1.052 4325 V CA -0.029 62.282 62.300 0.018 0.000 0.885 4325 V CB 1.983 33.818 31.823 0.021 0.000 0.999 4325 V HN 0.953 nan 8.190 nan 0.000 0.424 4326 T N 1.542 116.106 114.554 0.016 0.000 2.855 4326 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 4326 T C 0.030 174.740 174.700 0.016 0.000 1.007 4326 T CA 0.176 62.285 62.100 0.015 0.000 1.009 4326 T CB 1.258 70.132 68.868 0.010 0.000 0.983 4326 T HN 1.075 nan 8.240 nan 0.000 0.455 4327 D N 0.674 121.084 120.400 0.016 0.000 2.689 4327 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 4327 D C 0.397 176.710 176.300 0.022 0.000 1.148 4327 D CA 0.875 54.885 54.000 0.017 0.000 0.656 4327 D CB -1.216 39.591 40.800 0.013 0.000 1.050 4327 D HN 1.121 nan 8.370 nan 0.000 0.426 4328 A N 1.318 124.155 122.820 0.028 0.000 2.498 4328 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 4328 A C 0.536 178.143 177.584 0.038 0.000 1.068 4328 A CA 0.232 52.290 52.037 0.035 0.000 0.766 4328 A CB 0.577 19.605 19.000 0.046 0.000 1.003 4328 A HN 0.162 nan 8.150 nan 0.000 0.497 4329 K N 2.484 122.907 120.400 0.038 0.000 2.389 4329 K HA 0.418 4.737 4.320 -0.000 0.000 0.261 4329 K C -1.254 175.378 176.600 0.054 0.000 1.014 4329 K CA -0.212 56.099 56.287 0.040 0.000 0.920 4329 K CB 1.062 33.581 32.500 0.031 0.000 1.149 4329 K HN 0.537 nan 8.250 nan 0.000 0.444 4330 I N 1.932 122.545 120.570 0.072 0.000 2.365 4330 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 4330 I C 0.353 176.531 176.117 0.102 0.000 1.004 4330 I CA -0.375 60.992 61.300 0.111 0.000 1.311 4330 I CB 1.584 39.677 38.000 0.156 0.000 1.401 4330 I HN 0.486 nan 8.210 nan 0.000 0.491 4331 A N 6.444 129.335 122.820 0.117 0.000 2.318 4331 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 4331 A C -1.129 176.544 177.584 0.147 0.000 1.170 4331 A CA -0.516 51.581 52.037 0.099 0.000 0.810 4331 A CB 0.973 20.012 19.000 0.066 0.000 1.198 4331 A HN 0.600 nan 8.150 nan 0.000 0.484 4332 L N 3.649 124.937 121.223 0.109 0.000 2.324 4332 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 4332 L C -1.213 175.701 176.870 0.073 0.000 1.012 4332 L CA -0.011 54.895 54.840 0.110 0.000 0.859 4332 L CB 0.516 42.610 42.059 0.057 0.000 1.224 4332 L HN 0.646 nan 8.230 nan 0.000 0.429 4333 L N 4.215 125.487 121.223 0.082 0.000 2.334 4333 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 4333 L C 0.805 177.706 176.870 0.052 0.000 1.014 4333 L CA -0.464 54.409 54.840 0.054 0.000 0.815 4333 L CB 1.835 43.922 42.059 0.046 0.000 1.268 4333 L HN 0.600 nan 8.230 nan 0.000 0.428 4334 N N 0.530 119.251 118.700 0.035 0.000 2.397 4334 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 4334 N C 0.252 175.776 175.510 0.023 0.000 1.099 4334 N CA -0.158 52.909 53.050 0.029 0.000 0.876 4334 N CB 0.591 39.091 38.487 0.021 0.000 1.143 4334 N HN 0.580 nan 8.380 nan 0.000 0.468 4335 C N 2.493 121.806 119.300 0.021 0.000 2.644 4335 C HA 0.654 5.114 4.460 -0.000 0.000 0.417 4335 C C 1.003 176.003 174.990 0.016 0.000 1.304 4335 C CA -0.713 58.315 59.018 0.016 0.000 2.035 4335 C CB -0.816 26.934 27.740 0.016 0.000 2.673 4335 C HN 0.430 nan 8.230 nan 0.000 0.602 4336 A N 6.618 129.444 122.820 0.011 0.000 2.462 4336 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 4336 A C 0.252 177.840 177.584 0.006 0.000 1.076 4336 A CA -0.129 51.912 52.037 0.007 0.000 0.773 4336 A CB 0.059 19.060 19.000 0.002 0.000 1.010 4336 A HN 0.799 nan 8.150 nan 0.000 0.493 4337 I N 3.272 123.843 120.570 0.003 0.000 2.234 4337 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 4337 I C 0.618 176.734 176.117 -0.001 0.000 1.131 4337 I CA 0.431 61.733 61.300 0.005 0.000 1.335 4337 I CB -1.470 36.533 38.000 0.006 0.000 1.511 4337 I HN 0.887 nan 8.210 nan 0.000 0.588 4338 E N 3.752 123.953 120.200 0.002 0.000 2.431 4338 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 4338 E C -0.669 175.936 176.600 0.008 0.000 0.953 4338 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 4338 E CB 1.973 31.669 29.700 -0.006 0.000 1.369 4338 E HN -0.038 nan 8.360 nan 0.000 0.440 4339 I N 2.406 122.981 120.570 0.009 0.000 2.483 4339 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 4339 I C 0.384 176.509 176.117 0.013 0.000 1.112 4339 I CA -0.156 61.154 61.300 0.016 0.000 1.350 4339 I CB -0.506 37.505 38.000 0.018 0.000 1.419 4339 I HN 0.411 nan 8.210 nan 0.000 0.523 4340 K N 5.938 126.347 120.400 0.015 0.000 2.414 4340 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 4340 K C 0.264 176.872 176.600 0.014 0.000 0.993 4340 K CA -0.114 56.181 56.287 0.013 0.000 0.964 4340 K CB 1.084 33.592 32.500 0.014 0.000 0.925 4340 K HN 0.425 nan 8.250 nan 0.000 0.487 4341 E N 0.942 121.147 120.200 0.009 0.000 2.288 4341 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 4341 E C -0.425 176.180 176.600 0.008 0.000 0.885 4341 E CA -0.612 55.792 56.400 0.008 0.000 0.767 4341 E CB 1.770 31.472 29.700 0.002 0.000 1.220 4341 E HN 0.622 nan 8.360 nan 0.000 0.427 4342 T N -0.285 114.274 114.554 0.008 0.000 2.903 4342 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 4342 T C 1.071 175.774 174.700 0.004 0.000 1.078 4342 T CA -0.433 61.672 62.100 0.008 0.000 1.114 4342 T CB 0.960 69.833 68.868 0.009 0.000 0.987 4342 T HN 0.231 nan 8.240 nan 0.000 0.548 4343 E N 0.760 120.962 120.200 0.004 0.000 2.077 4343 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 4343 E C 1.290 177.891 176.600 0.002 0.000 0.989 4343 E CA 0.977 57.379 56.400 0.003 0.000 0.800 4343 E CB -0.547 29.155 29.700 0.003 0.000 0.746 4343 E HN 0.805 nan 8.360 nan 0.000 0.452 4344 T N 1.597 116.153 114.554 0.002 0.000 2.919 4344 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 4344 T C -0.188 174.512 174.700 -0.000 0.000 1.031 4344 T CA -0.564 61.537 62.100 0.002 0.000 1.127 4344 T CB 0.585 69.454 68.868 0.003 0.000 0.952 4344 T HN -0.153 nan 8.240 nan 0.000 0.540 4345 D N 2.520 122.919 120.400 -0.002 0.000 2.458 4345 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 4345 D C -0.415 175.882 176.300 -0.006 0.000 1.146 4345 D CA 0.171 54.168 54.000 -0.005 0.000 0.877 4345 D CB 0.517 41.313 40.800 -0.006 0.000 1.176 4345 D HN 0.759 nan 8.370 nan 0.000 0.461 4346 A N 3.435 126.249 122.820 -0.010 0.000 2.556 4346 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 4346 A C -0.893 176.676 177.584 -0.026 0.000 1.091 4346 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 4346 A CB 1.699 20.697 19.000 -0.005 0.000 1.300 4346 A HN 0.588 nan 8.150 nan 0.000 0.406 4347 E N 0.615 120.794 120.200 -0.035 0.000 2.381 4347 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 4347 E C -1.818 174.732 176.600 -0.083 0.000 0.960 4347 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 4347 E CB 1.278 30.947 29.700 -0.052 0.000 1.225 4347 E HN 0.496 nan 8.360 nan 0.000 0.420 4348 I N 3.298 123.772 120.570 -0.159 0.000 2.496 4348 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 4348 I C 0.172 176.190 176.117 -0.165 0.000 1.080 4348 I CA -0.029 61.125 61.300 -0.243 0.000 1.404 4348 I CB 0.552 38.166 38.000 -0.644 0.000 1.403 4348 I HN 0.293 nan 8.210 nan 0.000 0.539 4349 R N 7.358 127.810 120.500 -0.079 0.000 2.423 4349 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 4349 R C -0.626 175.682 176.300 0.012 0.000 1.196 4349 R CA -0.570 55.511 56.100 -0.030 0.000 1.262 4349 R CB 0.205 30.503 30.300 -0.003 0.000 1.116 4349 R HN 0.554 nan 8.270 nan 0.000 0.566 4350 I N 1.902 122.468 120.570 -0.007 0.000 2.588 4350 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 4350 I C 1.439 177.585 176.117 0.048 0.000 1.119 4350 I CA 0.562 61.897 61.300 0.058 0.000 1.419 4350 I CB 1.054 39.078 38.000 0.040 0.000 1.394 4350 I HN 0.524 nan 8.210 nan 0.000 0.562 4351 T N -0.749 113.845 114.554 0.066 0.000 3.087 4351 T HA 0.272 4.622 4.350 -0.000 0.000 0.283 4351 T C 0.071 174.796 174.700 0.042 0.000 0.956 4351 T CA -0.329 61.797 62.100 0.044 0.000 0.894 4351 T CB 0.303 69.195 68.868 0.039 0.000 1.160 4351 T HN 0.450 nan 8.240 nan 0.000 0.532 4352 D N 1.373 121.805 120.400 0.054 0.000 2.857 4352 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 4352 D C -2.326 174.005 176.300 0.051 0.000 1.192 4352 D CA -1.510 52.515 54.000 0.043 0.000 0.857 4352 D CB 2.768 43.589 40.800 0.035 0.000 1.645 4352 D HN -0.235 nan 8.370 nan 0.000 0.482 4353 P HA -0.121 nan 4.420 nan 0.000 0.218 4353 P C 1.157 178.481 177.300 0.040 0.000 1.148 4353 P CA 1.068 64.190 63.100 0.037 0.000 0.822 4353 P CB 0.291 32.006 31.700 0.025 0.000 0.784 4354 A N -0.014 122.824 122.820 0.030 0.000 1.978 4354 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 4354 A C 2.069 179.666 177.584 0.023 0.000 1.170 4354 A CA 1.653 53.701 52.037 0.018 0.000 0.636 4354 A CB -0.950 18.052 19.000 0.003 0.000 0.810 4354 A HN 0.195 nan 8.150 nan 0.000 0.448 4355 K N -0.454 119.982 120.400 0.060 0.000 2.155 4355 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 4355 K C 1.687 178.429 176.600 0.237 0.000 1.052 4355 K CA 0.891 57.253 56.287 0.125 0.000 0.948 4355 K CB -0.310 32.342 32.500 0.254 0.000 0.728 4355 K HN 0.476 nan 8.250 nan 0.000 0.448 4356 L N 0.411 121.729 121.223 0.160 0.000 2.127 4356 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 4356 L C 2.383 179.328 176.870 0.125 0.000 1.089 4356 L CA 0.948 55.871 54.840 0.139 0.000 0.757 4356 L CB -0.309 41.796 42.059 0.077 0.000 0.899 4356 L HN 0.257 nan 8.230 nan 0.000 0.434 4357 M N -1.404 118.246 119.600 0.083 0.000 2.357 4357 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 4357 M C 2.190 178.508 176.300 0.031 0.000 1.095 4357 M CA 1.049 56.380 55.300 0.052 0.000 1.156 4357 M CB -0.952 31.664 32.600 0.026 0.000 1.365 4357 M HN 0.189 nan 8.290 nan 0.000 0.447 4358 E N 0.664 120.856 120.200 -0.013 0.000 2.070 4358 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 4358 E C 1.937 178.436 176.600 -0.169 0.000 1.004 4358 E CA 1.707 58.022 56.400 -0.142 0.000 0.805 4358 E CB -0.195 29.336 29.700 -0.281 0.000 0.744 4358 E HN 0.455 nan 8.360 nan 0.000 0.451 4359 F N 0.399 120.353 119.950 0.007 0.000 2.206 4359 F HA -0.017 4.510 4.527 0.000 0.000 0.298 4359 F C 2.515 178.321 175.800 0.010 0.000 1.090 4359 F CA 0.572 58.577 58.000 0.007 0.000 1.323 4359 F CB -0.194 38.810 39.000 0.006 0.000 1.028 4359 F HN -0.016 nan 8.300 nan 0.000 0.492 4360 I N -0.030 120.655 120.570 0.190 0.000 2.163 4360 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 4360 I C 2.288 178.450 176.117 0.076 0.000 1.085 4360 I CA 1.303 62.670 61.300 0.113 0.000 1.347 4360 I CB -0.390 37.660 38.000 0.084 0.000 1.044 4360 I HN 0.109 nan 8.210 nan 0.000 0.408 4361 E N 0.199 120.429 120.200 0.050 0.000 2.150 4361 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 4361 E C 2.022 178.634 176.600 0.021 0.000 0.985 4361 E CA 0.949 57.365 56.400 0.026 0.000 0.814 4361 E CB -0.189 29.513 29.700 0.003 0.000 0.752 4361 E HN 0.447 nan 8.360 nan 0.000 0.466 4362 Q N 1.346 121.158 119.800 0.020 0.000 2.079 4362 Q HA -0.132 4.207 4.340 -0.000 0.000 0.200 4362 Q C 1.673 177.703 176.000 0.050 0.000 0.974 4362 Q CA 1.574 57.388 55.803 0.019 0.000 0.840 4362 Q CB 0.019 28.759 28.738 0.004 0.000 0.898 4362 Q HN 0.287 nan 8.270 nan 0.000 0.430 4363 E N -0.407 119.839 120.200 0.076 0.000 2.152 4363 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 4363 E C 1.843 178.480 176.600 0.061 0.000 0.983 4363 E CA 0.809 57.252 56.400 0.072 0.000 0.818 4363 E CB 0.095 29.842 29.700 0.079 0.000 0.758 4363 E HN 0.346 nan 8.360 nan 0.000 0.467 4364 E N 1.051 121.287 120.200 0.060 0.000 2.072 4364 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 4364 E C 1.909 178.541 176.600 0.052 0.000 0.985 4364 E CA 0.848 57.287 56.400 0.065 0.000 0.801 4364 E CB -0.113 29.622 29.700 0.058 0.000 0.750 4364 E HN 0.164 nan 8.360 nan 0.000 0.452 4365 K N 0.652 121.072 120.400 0.034 0.000 2.026 4365 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 4365 K C 2.282 178.898 176.600 0.026 0.000 1.048 4365 K CA 1.362 57.660 56.287 0.020 0.000 0.929 4365 K CB -0.161 32.344 32.500 0.009 0.000 0.713 4365 K HN 0.040 nan 8.250 nan 0.000 0.439 4366 M N 0.939 120.559 119.600 0.033 0.000 2.108 4366 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 4366 M C 2.085 178.410 176.300 0.042 0.000 1.066 4366 M CA 1.472 56.793 55.300 0.035 0.000 1.107 4366 M CB -0.068 32.555 32.600 0.038 0.000 1.356 4366 M HN 0.357 nan 8.290 nan 0.000 0.406 4367 L N 0.095 121.352 121.223 0.056 0.000 2.027 4367 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 4367 L C 2.249 179.176 176.870 0.096 0.000 1.074 4367 L CA 1.546 56.432 54.840 0.077 0.000 0.745 4367 L CB -0.303 41.813 42.059 0.096 0.000 0.898 4367 L HN 0.279 nan 8.230 nan 0.000 0.433 4368 K N -0.349 120.099 120.400 0.080 0.000 2.097 4368 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 4368 K C 1.657 178.270 176.600 0.022 0.000 1.049 4368 K CA 1.576 57.886 56.287 0.038 0.000 0.933 4368 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 4368 K HN 0.356 nan 8.250 nan 0.000 0.442 4369 D N 0.528 120.941 120.400 0.022 0.000 2.144 4369 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 4369 D C 1.937 178.250 176.300 0.022 0.000 0.984 4369 D CA 0.996 55.005 54.000 0.015 0.000 0.834 4369 D CB 0.003 40.812 40.800 0.014 0.000 0.955 4369 D HN 0.069 nan 8.370 nan 0.000 0.465 4370 M N 0.375 119.994 119.600 0.032 0.000 2.084 4370 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 4370 M C 2.455 178.777 176.300 0.037 0.000 1.072 4370 M CA 0.946 56.266 55.300 0.034 0.000 1.107 4370 M CB -1.093 31.530 32.600 0.039 0.000 1.299 4370 M HN -0.071 nan 8.290 nan 0.000 0.413 4371 V N 0.597 120.544 119.914 0.055 0.000 2.287 4371 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 4371 V C 2.734 178.851 176.094 0.038 0.000 1.053 4371 V CA 1.946 64.285 62.300 0.064 0.000 1.027 4371 V CB -1.462 30.436 31.823 0.124 0.000 0.646 4371 V HN 0.543 nan 8.190 nan 0.000 0.447 4372 A N -0.155 122.679 122.820 0.022 0.000 1.940 4372 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 4372 A C 2.192 179.781 177.584 0.009 0.000 1.176 4372 A CA 2.185 54.225 52.037 0.005 0.000 0.631 4372 A CB -0.527 18.469 19.000 -0.007 0.000 0.814 4372 A HN 0.570 nan 8.150 nan 0.000 0.446 4373 E N 0.268 120.477 120.200 0.014 0.000 2.077 4373 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 4373 E C 1.695 178.305 176.600 0.017 0.000 0.989 4373 E CA 1.379 57.787 56.400 0.014 0.000 0.800 4373 E CB -0.394 29.316 29.700 0.016 0.000 0.746 4373 E HN 0.657 nan 8.360 nan 0.000 0.452 4374 I N 0.616 121.198 120.570 0.021 0.000 2.142 4374 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 4374 I C 2.618 178.747 176.117 0.020 0.000 1.078 4374 I CA 1.287 62.600 61.300 0.022 0.000 1.343 4374 I CB -0.444 37.571 38.000 0.025 0.000 1.046 4374 I HN 0.102 nan 8.210 nan 0.000 0.405 4375 K N 1.678 122.089 120.400 0.018 0.000 2.063 4375 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 4375 K C 2.127 178.734 176.600 0.011 0.000 1.048 4375 K CA 1.807 58.103 56.287 0.015 0.000 0.928 4375 K CB -0.240 32.267 32.500 0.011 0.000 0.713 4375 K HN 0.317 nan 8.250 nan 0.000 0.442 4376 A N 0.507 123.333 122.820 0.010 0.000 2.024 4376 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 4376 A C 2.239 179.829 177.584 0.010 0.000 1.164 4376 A CA 2.166 54.208 52.037 0.008 0.000 0.643 4376 A CB -0.653 18.351 19.000 0.007 0.000 0.806 4376 A HN 0.440 nan 8.150 nan 0.000 0.451 4377 S N -1.968 113.740 115.700 0.014 0.000 2.453 4377 S HA 0.217 4.687 4.470 -0.000 0.000 0.231 4377 S C 1.483 176.092 174.600 0.016 0.000 1.005 4377 S CA 1.625 59.834 58.200 0.016 0.000 0.949 4377 S CB -0.321 62.890 63.200 0.019 0.000 0.774 4377 S HN 1.818 nan 8.310 nan 0.000 0.510 4378 G N -0.011 108.799 108.800 0.015 0.000 2.176 4378 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 4378 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 4378 G C 0.152 175.063 174.900 0.019 0.000 0.986 4378 G CA 0.111 45.221 45.100 0.016 0.000 0.643 4378 G HN 1.019 nan 8.290 nan 0.000 0.522 4379 A N 0.048 122.881 122.820 0.022 0.000 2.477 4379 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 4379 A C 1.080 178.676 177.584 0.020 0.000 1.078 4379 A CA 0.776 52.828 52.037 0.026 0.000 0.770 4379 A CB 0.183 19.201 19.000 0.030 0.000 1.011 4379 A HN 0.378 nan 8.150 nan 0.000 0.494 4380 N N 0.486 119.199 118.700 0.021 0.000 2.159 4380 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 4380 N C -0.881 174.630 175.510 0.002 0.000 1.223 4380 N CA 0.369 53.427 53.050 0.013 0.000 0.896 4380 N CB 1.238 39.734 38.487 0.016 0.000 1.064 4380 N HN 0.360 nan 8.380 nan 0.000 0.518 4381 V N 1.888 121.806 119.914 0.008 0.000 2.709 4381 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 4381 V C -1.077 175.005 176.094 -0.019 0.000 1.062 4381 V CA -0.908 61.378 62.300 -0.024 0.000 0.901 4381 V CB 2.697 34.542 31.823 0.036 0.000 1.003 4381 V HN -0.032 nan 8.190 nan 0.000 0.425 4382 L N 4.561 125.706 121.223 -0.130 0.000 2.470 4382 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 4382 L C -1.729 174.999 176.870 -0.238 0.000 0.964 4382 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 4382 L CB 1.767 43.801 42.059 -0.040 0.000 1.276 4382 L HN 0.476 nan 8.230 nan 0.000 0.403 4383 F N 4.865 124.819 119.950 0.006 0.000 2.388 4383 F HA 0.525 5.052 4.527 -0.000 0.000 0.358 4383 F C 0.207 176.008 175.800 0.001 0.000 1.122 4383 F CA -0.240 57.761 58.000 0.002 0.000 1.056 4383 F CB 1.435 40.436 39.000 0.001 0.000 1.155 4383 F HN 0.575 nan 8.300 nan 0.000 0.461 4384 C N 4.695 124.066 119.300 0.118 0.000 2.376 4384 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 4384 C C 1.502 176.540 174.990 0.079 0.000 1.229 4384 C CA -0.377 58.686 59.018 0.075 0.000 1.867 4384 C CB 1.183 28.938 27.740 0.024 0.000 2.319 4384 C HN 0.946 nan 8.230 nan 0.000 0.515 4385 Q N 2.833 122.668 119.800 0.059 0.000 2.062 4385 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 4385 Q C 1.106 177.124 176.000 0.030 0.000 0.967 4385 Q CA 1.481 57.311 55.803 0.046 0.000 0.832 4385 Q CB 0.132 28.890 28.738 0.033 0.000 0.899 4385 Q HN 0.696 nan 8.270 nan 0.000 0.442 4386 K N -0.294 120.118 120.400 0.021 0.000 2.894 4386 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 4386 K C 0.583 177.185 176.600 0.004 0.000 0.984 4386 K CA 0.211 56.504 56.287 0.010 0.000 1.266 4386 K CB -0.894 31.610 32.500 0.006 0.000 1.423 4386 K HN 0.169 nan 8.250 nan 0.000 0.614 4387 G N 0.231 109.028 108.800 -0.005 0.000 2.504 4387 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 4387 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 4387 G C -0.556 174.329 174.900 -0.025 0.000 1.182 4387 G CA -0.582 44.509 45.100 -0.016 0.000 0.894 4387 G HN 0.300 nan 8.290 nan 0.000 0.521 4388 I N 1.133 121.679 120.570 -0.040 0.000 2.439 4388 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 4388 I C -0.343 175.723 176.117 -0.085 0.000 1.023 4388 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 4388 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 4388 I HN 0.450 nan 8.210 nan 0.000 0.445 4389 D N 5.010 125.352 120.400 -0.097 0.000 2.449 4389 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 4389 D C 0.637 176.810 176.300 -0.213 0.000 1.149 4389 D CA 0.278 54.200 54.000 -0.130 0.000 0.878 4389 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 4389 D HN 0.476 nan 8.370 nan 0.000 0.446 4390 D N 2.476 122.726 120.400 -0.250 0.000 2.133 4390 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 4390 D C 1.757 177.560 176.300 -0.828 0.000 0.997 4390 D CA 0.688 54.433 54.000 -0.424 0.000 0.840 4390 D CB -0.104 40.505 40.800 -0.319 0.000 0.947 4390 D HN 0.338 nan 8.370 nan 0.000 0.452 4391 L N 0.808 121.649 121.223 -0.637 0.000 2.042 4391 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 4391 L C 2.134 178.533 176.870 -0.785 0.000 1.076 4391 L CA 1.752 56.164 54.840 -0.713 0.000 0.749 4391 L CB -0.753 41.041 42.059 -0.443 0.000 0.893 4391 L HN -0.011 nan 8.230 nan 0.000 0.432 4392 A N -1.254 121.280 122.820 -0.477 0.000 1.902 4392 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 4392 A C 2.162 179.628 177.584 -0.195 0.000 1.181 4392 A CA 1.796 53.666 52.037 -0.278 0.000 0.623 4392 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 4392 A HN 0.656 nan 8.150 nan 0.000 0.443 4393 Q N -1.000 118.660 119.800 -0.233 0.000 2.096 4393 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 4393 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 4393 Q CA 1.837 57.568 55.803 -0.119 0.000 0.850 4393 Q CB -0.412 28.251 28.738 -0.126 0.000 0.901 4393 Q HN 0.897 nan 8.270 nan 0.000 0.422 4394 H N -1.107 117.885 119.070 -0.130 0.000 2.321 4394 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 4394 H C 1.721 177.101 175.328 0.087 0.000 1.087 4394 H CA 1.101 57.108 56.048 -0.069 0.000 1.319 4394 H CB 0.068 29.742 29.762 -0.146 0.000 1.379 4394 H HN 0.252 nan 8.280 nan 0.000 0.501 4395 Y N 0.774 121.142 120.300 0.114 0.000 2.200 4395 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 4395 Y C 2.548 178.467 175.900 0.032 0.000 1.137 4395 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 4395 Y CB -0.883 37.597 38.460 0.034 0.000 0.988 4395 Y HN 0.140 nan 8.280 nan 0.000 0.518 4396 L N -0.524 120.803 121.223 0.174 0.000 2.042 4396 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 4396 L C 2.662 179.572 176.870 0.066 0.000 1.076 4396 L CA 1.387 56.278 54.840 0.084 0.000 0.749 4396 L CB -0.871 41.206 42.059 0.030 0.000 0.893 4396 L HN 0.194 nan 8.230 nan 0.000 0.432 4397 A N -0.044 122.822 122.820 0.078 0.000 1.898 4397 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 4397 A C 2.310 179.932 177.584 0.062 0.000 1.181 4397 A CA 1.623 53.697 52.037 0.061 0.000 0.620 4397 A CB -0.347 18.695 19.000 0.070 0.000 0.819 4397 A HN 0.311 nan 8.150 nan 0.000 0.442 4398 K N -0.288 120.168 120.400 0.093 0.000 2.209 4398 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 4398 K C 1.207 177.836 176.600 0.047 0.000 1.048 4398 K CA 1.176 57.506 56.287 0.072 0.000 0.940 4398 K CB -0.009 32.551 32.500 0.100 0.000 0.729 4398 K HN 0.400 nan 8.250 nan 0.000 0.451 4399 E N -0.305 119.927 120.200 0.053 0.000 2.489 4399 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 4399 E C 0.847 177.461 176.600 0.024 0.000 1.057 4399 E CA 0.420 56.840 56.400 0.032 0.000 0.866 4399 E CB 0.480 30.202 29.700 0.036 0.000 0.916 4399 E HN 0.456 nan 8.360 nan 0.000 0.500 4400 G N 2.124 110.939 108.800 0.025 0.000 2.225 4400 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 4400 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 4400 G C 0.306 175.212 174.900 0.011 0.000 1.024 4400 G CA 0.302 45.411 45.100 0.016 0.000 0.784 4400 G HN 0.286 nan 8.290 nan 0.000 0.507 4401 I N 0.242 120.819 120.570 0.012 0.000 2.395 4401 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 4401 I C 0.779 176.884 176.117 -0.020 0.000 1.023 4401 I CA -0.873 60.426 61.300 -0.001 0.000 1.350 4401 I CB 1.559 39.562 38.000 0.004 0.000 1.409 4401 I HN -0.125 nan 8.210 nan 0.000 0.507 4402 V N 5.990 125.878 119.914 -0.043 0.000 2.465 4402 V HA 0.667 4.787 4.120 -0.000 0.000 0.279 4402 V C 0.348 176.352 176.094 -0.151 0.000 1.045 4402 V CA -0.279 61.973 62.300 -0.080 0.000 0.938 4402 V CB 1.269 33.045 31.823 -0.077 0.000 0.986 4402 V HN 0.872 nan 8.190 nan 0.000 0.467 4403 A N 4.010 126.730 122.820 -0.168 0.000 2.454 4403 A HA 0.986 5.306 4.320 -0.000 0.000 0.302 4403 A C -0.544 176.884 177.584 -0.260 0.000 1.079 4403 A CA -0.358 51.546 52.037 -0.222 0.000 0.731 4403 A CB 1.949 20.875 19.000 -0.124 0.000 1.299 4403 A HN 1.354 nan 8.150 nan 0.000 0.413 4404 A N 1.479 124.097 122.820 -0.336 0.000 2.393 4404 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 4404 A C -0.121 177.413 177.584 -0.082 0.000 1.050 4404 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 4404 A CB 1.010 19.826 19.000 -0.307 0.000 1.248 4404 A HN 1.258 nan 8.150 nan 0.000 0.424 4405 R N 1.475 121.957 120.500 -0.031 0.000 2.875 4405 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 4405 R C -0.473 175.840 176.300 0.022 0.000 1.123 4405 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 4405 R CB 0.492 30.779 30.300 -0.022 0.000 1.205 4405 R HN 0.489 nan 8.270 nan 0.000 0.503 4406 R N -0.552 119.960 120.500 0.019 0.000 3.405 4406 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 4406 R C -0.670 175.650 176.300 0.035 0.000 1.030 4406 R CA 0.563 56.675 56.100 0.020 0.000 0.691 4406 R CB -2.545 27.761 30.300 0.010 0.000 1.093 4406 R HN 0.509 nan 8.270 nan 0.000 0.448 4407 V N 1.045 120.992 119.914 0.055 0.000 2.686 4407 V HA 0.086 4.206 4.120 -0.000 0.000 0.295 4407 V C 1.469 177.584 176.094 0.035 0.000 1.055 4407 V CA -0.309 62.030 62.300 0.066 0.000 1.050 4407 V CB 1.397 33.287 31.823 0.112 0.000 0.984 4407 V HN 0.175 nan 8.190 nan 0.000 0.482 4408 K N 3.367 123.780 120.400 0.022 0.000 2.414 4408 K HA 0.024 4.343 4.320 -0.000 0.000 0.272 4408 K C 1.346 177.948 176.600 0.005 0.000 0.993 4408 K CA -0.243 56.050 56.287 0.009 0.000 0.964 4408 K CB 0.366 32.866 32.500 0.001 0.000 0.925 4408 K HN 0.619 nan 8.250 nan 0.000 0.487 4409 K N 1.851 122.252 120.400 0.003 0.000 2.057 4409 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 4409 K C 1.529 178.124 176.600 -0.008 0.000 1.049 4409 K CA 1.808 58.096 56.287 0.000 0.000 0.931 4409 K CB -0.129 32.371 32.500 0.001 0.000 0.714 4409 K HN 0.599 nan 8.250 nan 0.000 0.440 4410 S N 1.514 117.208 115.700 -0.010 0.000 2.399 4410 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 4410 S C 1.340 175.924 174.600 -0.026 0.000 1.022 4410 S CA 1.342 59.533 58.200 -0.016 0.000 0.983 4410 S CB -0.184 63.007 63.200 -0.014 0.000 0.803 4410 S HN 0.343 nan 8.310 nan 0.000 0.480 4411 D N 1.120 121.504 120.400 -0.027 0.000 2.144 4411 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 4411 D C 1.865 178.125 176.300 -0.066 0.000 0.978 4411 D CA 0.726 54.698 54.000 -0.046 0.000 0.833 4411 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 4411 D HN 0.242 nan 8.370 nan 0.000 0.470 4412 M N 0.541 120.116 119.600 -0.042 0.000 2.149 4412 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 4412 M C 1.878 178.146 176.300 -0.052 0.000 1.064 4412 M CA 1.297 56.572 55.300 -0.042 0.000 1.102 4412 M CB -0.812 31.783 32.600 -0.008 0.000 1.369 4412 M HN 0.121 nan 8.290 nan 0.000 0.408 4413 E N -0.201 119.975 120.200 -0.040 0.000 2.107 4413 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 4413 E C 2.069 178.640 176.600 -0.048 0.000 0.982 4413 E CA 0.785 57.164 56.400 -0.036 0.000 0.809 4413 E CB 0.016 29.701 29.700 -0.025 0.000 0.756 4413 E HN 0.492 nan 8.360 nan 0.000 0.459 4414 K N 0.573 120.939 120.400 -0.058 0.000 2.097 4414 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 4414 K C 2.146 178.689 176.600 -0.094 0.000 1.050 4414 K CA 0.706 56.953 56.287 -0.066 0.000 0.938 4414 K CB -0.009 32.453 32.500 -0.065 0.000 0.718 4414 K HN 0.112 nan 8.250 nan 0.000 0.442 4415 L N 0.323 121.466 121.223 -0.134 0.000 2.093 4415 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 4415 L C 2.524 179.309 176.870 -0.142 0.000 1.085 4415 L CA 0.920 55.638 54.840 -0.203 0.000 0.755 4415 L CB -0.477 41.382 42.059 -0.333 0.000 0.904 4415 L HN 0.193 nan 8.230 nan 0.000 0.435 4416 A N 0.225 122.990 122.820 -0.093 0.000 1.873 4416 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 4416 A C 2.319 179.878 177.584 -0.042 0.000 1.186 4416 A CA 1.566 53.570 52.037 -0.054 0.000 0.616 4416 A CB -0.304 18.675 19.000 -0.035 0.000 0.823 4416 A HN 0.280 nan 8.150 nan 0.000 0.442 4417 K N -0.252 120.123 120.400 -0.042 0.000 2.009 4417 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 4417 K C 2.388 178.969 176.600 -0.030 0.000 1.049 4417 K CA 1.282 57.551 56.287 -0.030 0.000 0.929 4417 K CB -0.372 32.111 32.500 -0.029 0.000 0.714 4417 K HN 0.436 nan 8.250 nan 0.000 0.440 4418 A N 0.889 123.681 122.820 -0.047 0.000 1.832 4418 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 4418 A C 2.291 179.853 177.584 -0.036 0.000 1.200 4418 A CA 2.135 54.145 52.037 -0.044 0.000 0.610 4418 A CB -1.092 17.868 19.000 -0.067 0.000 0.842 4418 A HN 0.268 nan 8.150 nan 0.000 0.444 4419 T N -0.872 113.648 114.554 -0.055 0.000 2.951 4419 T HA 0.284 4.634 4.350 -0.000 0.000 0.268 4419 T C 1.320 176.013 174.700 -0.012 0.000 1.073 4419 T CA 1.463 63.541 62.100 -0.037 0.000 1.134 4419 T CB -0.353 68.479 68.868 -0.059 0.000 0.884 4419 T HN 1.637 nan 8.240 nan 0.000 0.479 4420 G N 1.420 110.211 108.800 -0.015 0.000 2.182 4420 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 4420 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 4420 G C 0.045 174.947 174.900 0.003 0.000 1.042 4420 G CA -0.132 44.967 45.100 -0.001 0.000 0.775 4420 G HN 0.876 nan 8.290 nan 0.000 0.501 4421 A N -0.424 122.394 122.820 -0.004 0.000 2.303 4421 A HA 0.758 5.078 4.320 -0.000 0.000 0.317 4421 A C 0.184 177.771 177.584 0.004 0.000 1.149 4421 A CA -0.235 51.807 52.037 0.008 0.000 0.822 4421 A CB 0.906 19.915 19.000 0.015 0.000 1.131 4421 A HN 0.719 nan 8.150 nan 0.000 0.493 4422 N N 1.510 120.217 118.700 0.012 0.000 2.425 4422 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 4422 N C -0.805 174.713 175.510 0.014 0.000 0.991 4422 N CA -0.278 52.778 53.050 0.010 0.000 0.931 4422 N CB 1.168 39.661 38.487 0.011 0.000 1.130 4422 N HN 0.289 nan 8.380 nan 0.000 0.493 4423 V N 4.880 124.799 119.914 0.010 0.000 2.485 4423 V HA 0.133 4.253 4.120 -0.000 0.000 0.287 4423 V C 0.456 176.559 176.094 0.015 0.000 1.022 4423 V CA 0.005 62.313 62.300 0.014 0.000 1.067 4423 V CB -0.127 31.701 31.823 0.008 0.000 0.967 4423 V HN 0.529 nan 8.190 nan 0.000 0.479 4424 I N 4.789 125.371 120.570 0.019 0.000 2.530 4424 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 4424 I C 1.279 177.406 176.117 0.017 0.000 1.011 4424 I CA -0.230 61.080 61.300 0.017 0.000 1.107 4424 I CB 2.024 40.036 38.000 0.019 0.000 1.285 4424 I HN 0.773 nan 8.210 nan 0.000 0.436 4425 T N 1.935 116.497 114.554 0.014 0.000 2.755 4425 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 4425 T C 0.830 175.538 174.700 0.014 0.000 1.044 4425 T CA 0.415 62.523 62.100 0.013 0.000 1.154 4425 T CB -0.098 68.776 68.868 0.011 0.000 0.866 4425 T HN 0.441 nan 8.240 nan 0.000 0.416 4426 N N 0.841 119.549 118.700 0.013 0.000 2.438 4426 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 4426 N C 0.665 176.184 175.510 0.015 0.000 1.037 4426 N CA -0.719 52.339 53.050 0.014 0.000 0.942 4426 N CB 1.369 39.863 38.487 0.012 0.000 1.136 4426 N HN 0.174 nan 8.380 nan 0.000 0.481 4427 I N 3.675 124.255 120.570 0.016 0.000 2.335 4427 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 4427 I C 1.818 177.944 176.117 0.015 0.000 1.129 4427 I CA 1.460 62.770 61.300 0.017 0.000 1.402 4427 I CB 0.052 38.062 38.000 0.018 0.000 1.069 4427 I HN 0.490 nan 8.210 nan 0.000 0.424 4428 K N 0.346 120.754 120.400 0.013 0.000 2.152 4428 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 4428 K C 1.628 178.235 176.600 0.011 0.000 1.048 4428 K CA 1.523 57.817 56.287 0.012 0.000 0.933 4428 K CB -0.571 31.935 32.500 0.011 0.000 0.721 4428 K HN 0.426 nan 8.250 nan 0.000 0.447 4429 D N 0.375 120.782 120.400 0.012 0.000 2.289 4429 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 4429 D C 0.594 176.901 176.300 0.013 0.000 0.966 4429 D CA -0.059 53.948 54.000 0.011 0.000 0.868 4429 D CB -0.163 40.644 40.800 0.011 0.000 0.943 4429 D HN -0.021 nan 8.370 nan 0.000 0.514 4430 L N 1.339 122.571 121.223 0.015 0.000 2.559 4430 L HA 0.030 4.370 4.340 -0.000 0.000 0.282 4430 L C 0.376 177.255 176.870 0.015 0.000 1.232 4430 L CA 0.400 55.250 54.840 0.017 0.000 0.885 4430 L CB 0.273 42.343 42.059 0.019 0.000 1.131 4430 L HN -0.002 nan 8.230 nan 0.000 0.498 4431 S N 2.823 118.532 115.700 0.015 0.000 2.651 4431 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 4431 S C 0.608 175.218 174.600 0.016 0.000 1.148 4431 S CA -0.389 57.819 58.200 0.014 0.000 0.837 4431 S CB 1.132 64.340 63.200 0.012 0.000 1.138 4431 S HN 0.839 nan 8.310 nan 0.000 0.478 4432 A N 0.598 123.427 122.820 0.015 0.000 1.978 4432 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 4432 A C 1.985 179.579 177.584 0.017 0.000 1.170 4432 A CA 1.415 53.462 52.037 0.016 0.000 0.636 4432 A CB -0.907 18.102 19.000 0.014 0.000 0.810 4432 A HN 0.730 nan 8.150 nan 0.000 0.448 4433 Q N 0.155 119.964 119.800 0.015 0.000 2.364 4433 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 4433 Q C 0.615 176.624 176.000 0.016 0.000 0.970 4433 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 4433 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 4433 Q HN 0.684 nan 8.270 nan 0.000 0.469 4434 D N -0.261 120.149 120.400 0.017 0.000 2.354 4434 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 4434 D C 0.592 176.906 176.300 0.023 0.000 1.015 4434 D CA 0.037 54.048 54.000 0.018 0.000 0.867 4434 D CB 0.574 41.385 40.800 0.019 0.000 0.933 4434 D HN 0.200 nan 8.370 nan 0.000 0.520 4435 L N 0.907 122.145 121.223 0.025 0.000 2.461 4435 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 4435 L C 1.216 178.103 176.870 0.028 0.000 1.197 4435 L CA -0.169 54.689 54.840 0.030 0.000 0.836 4435 L CB 0.834 42.911 42.059 0.029 0.000 1.105 4435 L HN -0.092 nan 8.230 nan 0.000 0.477 4436 G N 0.999 109.819 108.800 0.034 0.000 2.509 4436 G HA2 0.484 4.444 3.960 -0.000 0.000 0.328 4436 G HA3 0.484 4.444 3.960 -0.000 0.000 0.328 4436 G C -1.359 173.561 174.900 0.033 0.000 1.194 4436 G CA -0.481 44.636 45.100 0.029 0.000 0.967 4436 G HN 0.536 nan 8.290 nan 0.000 0.488 4437 D N -0.189 120.228 120.400 0.027 0.000 2.498 4437 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 4437 D C -0.460 175.855 176.300 0.026 0.000 1.070 4437 D CA -0.026 53.990 54.000 0.027 0.000 0.842 4437 D CB 2.152 42.965 40.800 0.020 0.000 1.361 4437 D HN 0.573 nan 8.370 nan 0.000 0.484 4438 A N 0.530 123.369 122.820 0.032 0.000 2.398 4438 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 4438 A C 0.949 178.550 177.584 0.029 0.000 1.041 4438 A CA -0.539 51.518 52.037 0.034 0.000 0.711 4438 A CB 1.647 20.679 19.000 0.054 0.000 1.240 4438 A HN 0.521 nan 8.150 nan 0.000 0.420 4439 G N 0.469 109.280 108.800 0.019 0.000 2.443 4439 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 4439 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 4439 G C 0.223 175.137 174.900 0.023 0.000 1.131 4439 G CA 1.530 46.637 45.100 0.013 0.000 0.775 4439 G HN 1.109 nan 8.290 nan 0.000 0.547 4440 L N -0.314 120.932 121.223 0.039 0.000 2.549 4440 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 4440 L C -1.531 175.385 176.870 0.077 0.000 0.934 4440 L CA -0.734 54.135 54.840 0.048 0.000 0.865 4440 L CB 2.450 44.532 42.059 0.038 0.000 1.352 4440 L HN -0.160 nan 8.230 nan 0.000 0.410 4441 V N 4.132 124.093 119.914 0.078 0.000 2.443 4441 V HA 0.694 4.814 4.120 -0.000 0.000 0.293 4441 V C -0.615 175.536 176.094 0.094 0.000 1.021 4441 V CA -0.421 61.942 62.300 0.104 0.000 0.848 4441 V CB 1.536 33.420 31.823 0.101 0.000 0.998 4441 V HN 0.820 nan 8.190 nan 0.000 0.424 4442 E N 3.114 123.392 120.200 0.130 0.000 2.343 4442 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 4442 E C -1.139 175.558 176.600 0.161 0.000 0.910 4442 E CA -0.685 55.777 56.400 0.103 0.000 0.757 4442 E CB 2.356 32.085 29.700 0.048 0.000 1.218 4442 E HN 0.743 nan 8.360 nan 0.000 0.435 4443 E N 3.940 124.205 120.200 0.109 0.000 2.194 4443 E HA 0.241 4.591 4.350 -0.000 0.000 0.284 4443 E C -0.883 175.777 176.600 0.099 0.000 1.035 4443 E CA -0.233 56.241 56.400 0.124 0.000 0.836 4443 E CB 0.715 30.460 29.700 0.075 0.000 1.070 4443 E HN 0.329 nan 8.360 nan 0.000 0.401 4444 R N 3.447 124.050 120.500 0.172 0.000 2.740 4444 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 4444 R C -1.018 175.364 176.300 0.137 0.000 0.969 4444 R CA -1.109 55.038 56.100 0.077 0.000 0.918 4444 R CB 1.537 31.740 30.300 -0.161 0.000 1.175 4444 R HN 0.256 nan 8.270 nan 0.000 0.464 4445 K N 2.142 122.583 120.400 0.067 0.000 2.227 4445 K HA 0.390 4.710 4.320 -0.000 0.000 0.280 4445 K C -0.526 176.120 176.600 0.077 0.000 1.041 4445 K CA -0.119 56.211 56.287 0.071 0.000 0.905 4445 K CB 0.834 33.357 32.500 0.039 0.000 1.068 4445 K HN 0.311 nan 8.250 nan 0.000 0.470 4446 I N 2.282 122.914 120.570 0.103 0.000 2.439 4446 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 4446 I C 0.195 176.351 176.117 0.065 0.000 1.023 4446 I CA -0.361 60.997 61.300 0.098 0.000 1.100 4446 I CB 1.181 39.276 38.000 0.158 0.000 1.238 4446 I HN 0.723 nan 8.210 nan 0.000 0.445 4447 S N 4.576 120.304 115.700 0.046 0.000 3.682 4447 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 4447 S C 1.406 176.025 174.600 0.031 0.000 1.034 4447 S CA 1.622 59.842 58.200 0.034 0.000 1.084 4447 S CB -1.038 62.182 63.200 0.033 0.000 0.903 4447 S HN 1.580 nan 8.310 nan 0.000 0.470 4448 G N 0.133 108.951 108.800 0.031 0.000 2.550 4448 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 4448 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 4448 G C -0.204 174.716 174.900 0.034 0.000 1.170 4448 G CA 0.367 45.483 45.100 0.028 0.000 0.693 4448 G HN 0.723 nan 8.290 nan 0.000 0.512 4449 D N 1.854 122.277 120.400 0.038 0.000 2.443 4449 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 4449 D C 1.023 177.357 176.300 0.056 0.000 1.136 4449 D CA 0.874 54.898 54.000 0.040 0.000 0.879 4449 D CB 1.260 42.081 40.800 0.034 0.000 1.195 4449 D HN 0.709 nan 8.370 nan 0.000 0.443 4450 S N 1.945 117.676 115.700 0.051 0.000 2.523 4450 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 4450 S C 0.023 174.664 174.600 0.069 0.000 1.281 4450 S CA -0.717 57.524 58.200 0.067 0.000 1.050 4450 S CB 0.769 64.000 63.200 0.051 0.000 0.937 4450 S HN 0.384 nan 8.310 nan 0.000 0.492 4451 M N 2.707 122.373 119.600 0.110 0.000 2.575 4451 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 4451 M C -1.302 175.069 176.300 0.119 0.000 1.253 4451 M CA -0.868 54.470 55.300 0.065 0.000 0.861 4451 M CB 1.969 34.570 32.600 0.003 0.000 1.733 4451 M HN 0.432 nan 8.290 nan 0.000 0.462 4452 I N 1.677 122.256 120.570 0.014 0.000 2.412 4452 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 4452 I C -1.104 174.976 176.117 -0.061 0.000 0.987 4452 I CA -0.363 60.989 61.300 0.087 0.000 1.180 4452 I CB 0.985 39.044 38.000 0.098 0.000 1.340 4452 I HN 0.530 nan 8.210 nan 0.000 0.455 4453 F N 4.769 124.747 119.950 0.046 0.000 2.426 4453 F HA 0.418 4.945 4.527 0.000 0.000 0.348 4453 F C 0.214 176.039 175.800 0.042 0.000 1.124 4453 F CA -0.767 57.254 58.000 0.036 0.000 1.008 4453 F CB 1.793 40.807 39.000 0.024 0.000 1.139 4453 F HN -0.006 nan 8.300 nan 0.000 0.452 4454 V N 3.993 123.995 119.914 0.147 0.000 2.257 4454 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 4454 V C -0.484 175.668 176.094 0.098 0.000 1.040 4454 V CA -0.577 61.787 62.300 0.106 0.000 0.813 4454 V CB 0.425 32.280 31.823 0.054 0.000 1.065 4454 V HN 0.795 nan 8.190 nan 0.000 0.457 4455 E N 3.023 123.289 120.200 0.111 0.000 2.369 4455 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 4455 E C -0.653 175.976 176.600 0.049 0.000 0.909 4455 E CA -0.839 55.614 56.400 0.089 0.000 0.775 4455 E CB 1.972 31.745 29.700 0.122 0.000 1.270 4455 E HN 0.198 nan 8.360 nan 0.000 0.445 4456 E N -0.764 119.452 120.200 0.027 0.000 3.169 4456 E HA -0.130 4.220 4.350 -0.000 0.000 0.305 4456 E C -0.671 175.921 176.600 -0.014 0.000 0.912 4456 E CA 0.468 56.869 56.400 0.001 0.000 1.029 4456 E CB -2.463 27.239 29.700 0.003 0.000 1.514 4456 E HN 0.632 nan 8.360 nan 0.000 0.412 4457 C N 1.259 120.553 119.300 -0.009 0.000 2.679 4457 C HA 0.049 4.509 4.460 -0.000 0.000 0.417 4457 C C 2.292 177.239 174.990 -0.071 0.000 1.302 4457 C CA 0.096 59.101 59.018 -0.021 0.000 1.973 4457 C CB 0.281 28.019 27.740 -0.005 0.000 2.715 4457 C HN 0.356 nan 8.230 nan 0.000 0.628 4458 K N 1.155 121.500 120.400 -0.093 0.000 1.969 4458 K HA -0.114 4.206 4.320 -0.000 0.000 0.223 4458 K C 0.445 176.790 176.600 -0.425 0.000 1.048 4458 K CA 1.413 57.559 56.287 -0.235 0.000 0.983 4458 K CB -0.123 32.297 32.500 -0.134 0.000 0.738 4458 K HN 0.697 nan 8.250 nan 0.000 0.446 4459 H N 0.808 119.882 119.070 0.008 0.000 2.423 4459 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 4459 H C -2.368 172.963 175.328 0.004 0.000 1.391 4459 H CA -1.965 54.086 56.048 0.006 0.000 1.453 4459 H CB 0.424 30.189 29.762 0.005 0.000 1.484 4459 H HN 0.256 nan 8.280 nan 0.000 0.505 4460 P HA 0.054 nan 4.420 nan 0.000 0.268 4460 P C 0.691 178.019 177.300 0.046 0.000 1.205 4460 P CA -0.427 62.698 63.100 0.042 0.000 0.771 4460 P CB 1.742 33.455 31.700 0.020 0.000 0.858 4461 K N 0.460 120.877 120.400 0.029 0.000 2.358 4461 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 4461 K C 0.443 177.048 176.600 0.007 0.000 1.025 4461 K CA -0.018 56.281 56.287 0.019 0.000 1.104 4461 K CB 0.615 33.124 32.500 0.014 0.000 0.855 4461 K HN 0.558 nan 8.250 nan 0.000 0.531 4462 A N 1.093 123.914 122.820 0.003 0.000 2.408 4462 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 4462 A C -0.462 177.120 177.584 -0.004 0.000 1.040 4462 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 4462 A CB 1.289 20.278 19.000 -0.019 0.000 1.235 4462 A HN -0.052 nan 8.150 nan 0.000 0.418 4463 V N -0.459 119.453 119.914 -0.002 0.000 2.960 4463 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 4463 V C -0.295 175.797 176.094 -0.004 0.000 1.087 4463 V CA -0.578 61.723 62.300 0.002 0.000 0.982 4463 V CB 1.665 33.494 31.823 0.011 0.000 1.039 4463 V HN 0.804 nan 8.190 nan 0.000 0.437 4464 T N 3.734 118.288 114.554 -0.000 0.000 2.863 4464 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 4464 T C -0.531 174.177 174.700 0.012 0.000 1.009 4464 T CA -0.289 61.807 62.100 -0.006 0.000 0.989 4464 T CB 1.552 70.402 68.868 -0.031 0.000 1.004 4464 T HN 0.920 nan 8.240 nan 0.000 0.455 4465 M N 4.211 123.817 119.600 0.010 0.000 2.060 4465 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 4465 M C -1.114 175.200 176.300 0.023 0.000 1.031 4465 M CA -1.040 54.272 55.300 0.021 0.000 0.981 4465 M CB 0.238 32.848 32.600 0.016 0.000 1.376 4465 M HN 0.474 nan 8.290 nan 0.000 0.397 4466 L N 6.695 127.944 121.223 0.043 0.000 2.433 4466 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 4466 L C -1.124 175.774 176.870 0.047 0.000 1.128 4466 L CA 0.616 55.489 54.840 0.055 0.000 0.875 4466 L CB 0.189 42.318 42.059 0.117 0.000 1.171 4466 L HN 0.601 nan 8.230 nan 0.000 0.463 4467 I N 6.092 126.682 120.570 0.035 0.000 2.359 4467 I HA 0.490 4.660 4.170 -0.000 0.000 0.294 4467 I C -0.039 176.097 176.117 0.031 0.000 0.987 4467 I CA -0.762 60.555 61.300 0.027 0.000 1.225 4467 I CB 0.901 38.912 38.000 0.019 0.000 1.366 4467 I HN 0.532 nan 8.210 nan 0.000 0.466 4468 R N 4.119 124.635 120.500 0.027 0.000 2.832 4468 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 4468 R C -0.362 175.946 176.300 0.014 0.000 0.996 4468 R CA -1.081 55.034 56.100 0.024 0.000 0.977 4468 R CB 1.970 32.286 30.300 0.026 0.000 1.168 4468 R HN 0.877 nan 8.270 nan 0.000 0.482 4469 G N -0.936 107.872 108.800 0.013 0.000 2.519 4469 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 4469 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 4469 G C 0.213 175.118 174.900 0.009 0.000 1.507 4469 G CA -0.232 44.872 45.100 0.006 0.000 0.806 4469 G HN 0.444 nan 8.290 nan 0.000 0.523 4470 T N -2.236 112.320 114.554 0.004 0.000 3.155 4470 T HA 0.300 4.650 4.350 -0.000 0.000 0.264 4470 T C 0.836 175.543 174.700 0.013 0.000 1.160 4470 T CA 1.462 63.565 62.100 0.006 0.000 1.075 4470 T CB -0.090 68.778 68.868 0.001 0.000 0.921 4470 T HN 0.689 nan 8.240 nan 0.000 0.533 4471 T N 0.228 114.792 114.554 0.017 0.000 2.885 4471 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 4471 T C 0.296 175.022 174.700 0.043 0.000 1.387 4471 T CA -0.657 61.463 62.100 0.032 0.000 1.041 4471 T CB 2.391 71.283 68.868 0.040 0.000 1.287 4471 T HN 0.004 nan 8.240 nan 0.000 0.491 4472 E N 0.907 121.141 120.200 0.056 0.000 2.038 4472 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 4472 E C 1.659 178.325 176.600 0.110 0.000 1.000 4472 E CA 2.031 58.469 56.400 0.064 0.000 0.803 4472 E CB -0.205 29.524 29.700 0.050 0.000 0.750 4472 E HN 0.756 nan 8.360 nan 0.000 0.448 4473 H N -0.956 118.115 119.070 0.001 0.000 2.422 4473 H HA -0.087 4.469 4.556 0.000 0.000 0.298 4473 H C 1.825 177.153 175.328 0.000 0.000 1.098 4473 H CA 1.146 57.194 56.048 0.001 0.000 1.315 4473 H CB 0.338 30.100 29.762 -0.000 0.000 1.382 4473 H HN 0.115 nan 8.280 nan 0.000 0.523 4474 V N 1.785 121.699 119.914 -0.001 0.000 2.283 4474 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 4474 V C 2.625 178.699 176.094 -0.034 0.000 1.039 4474 V CA 1.807 64.059 62.300 -0.079 0.000 1.016 4474 V CB -0.426 31.369 31.823 -0.047 0.000 0.650 4474 V HN 0.553 nan 8.190 nan 0.000 0.449 4475 I N -1.153 119.421 120.570 0.005 0.000 2.493 4475 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 4475 I C 2.284 178.413 176.117 0.021 0.000 1.160 4475 I CA 1.953 63.260 61.300 0.012 0.000 1.445 4475 I CB -0.555 37.458 38.000 0.021 0.000 1.086 4475 I HN 0.389 nan 8.210 nan 0.000 0.433 4476 E N 1.502 121.728 120.200 0.043 0.000 2.072 4476 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 4476 E C 2.034 178.661 176.600 0.045 0.000 0.985 4476 E CA 1.079 57.515 56.400 0.061 0.000 0.801 4476 E CB 0.098 29.868 29.700 0.117 0.000 0.750 4476 E HN 0.490 nan 8.360 nan 0.000 0.452 4477 E N 0.213 120.424 120.200 0.019 0.000 2.152 4477 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 4477 E C 2.256 178.848 176.600 -0.014 0.000 0.983 4477 E CA 0.650 57.042 56.400 -0.013 0.000 0.818 4477 E CB 0.012 29.656 29.700 -0.094 0.000 0.758 4477 E HN 0.205 nan 8.360 nan 0.000 0.467 4478 V N 1.644 121.548 119.914 -0.016 0.000 2.407 4478 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 4478 V C 2.447 178.542 176.094 0.002 0.000 1.055 4478 V CA 1.707 64.001 62.300 -0.009 0.000 1.049 4478 V CB -0.800 31.018 31.823 -0.008 0.000 0.662 4478 V HN 0.226 nan 8.190 nan 0.000 0.455 4479 A N 0.105 122.930 122.820 0.008 0.000 1.877 4479 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 4479 A C 2.417 180.009 177.584 0.012 0.000 1.186 4479 A CA 2.048 54.092 52.037 0.011 0.000 0.620 4479 A CB -0.578 18.431 19.000 0.015 0.000 0.822 4479 A HN 0.478 nan 8.150 nan 0.000 0.443 4480 R N -0.359 120.150 120.500 0.015 0.000 2.091 4480 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 4480 R C 2.278 178.587 176.300 0.014 0.000 1.136 4480 R CA 1.478 57.588 56.100 0.016 0.000 0.959 4480 R CB -0.419 29.894 30.300 0.022 0.000 0.856 4480 R HN 0.442 nan 8.270 nan 0.000 0.437 4481 A N 0.164 122.991 122.820 0.010 0.000 1.908 4481 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 4481 A C 2.227 179.818 177.584 0.012 0.000 1.181 4481 A CA 1.669 53.712 52.037 0.011 0.000 0.627 4481 A CB -0.446 18.556 19.000 0.004 0.000 0.818 4481 A HN 0.243 nan 8.150 nan 0.000 0.445 4482 V N 0.416 120.336 119.914 0.010 0.000 2.453 4482 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 4482 V C 2.041 178.142 176.094 0.010 0.000 1.048 4482 V CA 2.016 64.322 62.300 0.010 0.000 1.049 4482 V CB -0.792 31.037 31.823 0.009 0.000 0.672 4482 V HN 0.465 nan 8.190 nan 0.000 0.457 4483 D N 0.322 120.728 120.400 0.010 0.000 2.149 4483 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 4483 D C 1.851 178.158 176.300 0.011 0.000 0.990 4483 D CA 1.426 55.431 54.000 0.010 0.000 0.839 4483 D CB -0.219 40.587 40.800 0.010 0.000 0.948 4483 D HN 0.427 nan 8.370 nan 0.000 0.460 4484 D N 0.059 120.466 120.400 0.013 0.000 2.120 4484 D HA -0.006 4.634 4.640 -0.000 0.000 0.202 4484 D C 2.070 178.378 176.300 0.013 0.000 0.972 4484 D CA 1.163 55.172 54.000 0.014 0.000 0.837 4484 D CB -0.362 40.449 40.800 0.018 0.000 0.989 4484 D HN 0.114 nan 8.370 nan 0.000 0.469 4485 A N 0.764 123.592 122.820 0.014 0.000 1.908 4485 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 4485 A C 2.507 180.098 177.584 0.012 0.000 1.181 4485 A CA 1.338 53.384 52.037 0.014 0.000 0.627 4485 A CB -0.846 18.162 19.000 0.014 0.000 0.818 4485 A HN 0.142 nan 8.150 nan 0.000 0.445 4486 V N -0.075 119.845 119.914 0.010 0.000 2.343 4486 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 4486 V C 2.794 178.893 176.094 0.008 0.000 1.051 4486 V CA 1.968 64.273 62.300 0.009 0.000 1.036 4486 V CB -1.433 30.394 31.823 0.008 0.000 0.654 4486 V HN 0.634 nan 8.190 nan 0.000 0.451 4487 G N -0.248 108.557 108.800 0.008 0.000 2.433 4487 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 4487 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 4487 G C 1.635 176.539 174.900 0.007 0.000 1.186 4487 G CA 1.313 46.418 45.100 0.007 0.000 0.779 4487 G HN 0.405 nan 8.290 nan 0.000 0.543 4488 V N 0.340 120.259 119.914 0.008 0.000 2.548 4488 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 4488 V C 2.967 179.065 176.094 0.008 0.000 1.055 4488 V CA 1.074 63.379 62.300 0.008 0.000 1.065 4488 V CB -0.018 31.811 31.823 0.009 0.000 0.681 4488 V HN 0.227 nan 8.190 nan 0.000 0.462 4489 V N 1.168 121.087 119.914 0.008 0.000 2.427 4489 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 4489 V C 2.603 178.701 176.094 0.007 0.000 1.051 4489 V CA 2.127 64.432 62.300 0.008 0.000 1.048 4489 V CB -1.218 30.610 31.823 0.009 0.000 0.666 4489 V HN 0.603 nan 8.190 nan 0.000 0.456 4490 G N -1.365 107.439 108.800 0.006 0.000 2.402 4490 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 4490 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 4490 G C 1.758 176.661 174.900 0.005 0.000 1.162 4490 G CA 1.216 46.319 45.100 0.005 0.000 0.777 4490 G HN 0.518 nan 8.290 nan 0.000 0.539 4491 C N 0.484 119.786 119.300 0.005 0.000 2.413 4491 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 4491 C C 3.232 178.225 174.990 0.005 0.000 1.248 4491 C CA 1.623 60.644 59.018 0.005 0.000 1.742 4491 C CB -0.932 26.810 27.740 0.005 0.000 2.017 4491 C HN 0.424 nan 8.230 nan 0.000 0.481 4492 T N 0.536 115.094 114.554 0.005 0.000 2.951 4492 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 4492 T C 1.516 176.219 174.700 0.005 0.000 1.073 4492 T CA 0.907 63.010 62.100 0.005 0.000 1.134 4492 T CB -0.185 68.686 68.868 0.006 0.000 0.884 4492 T HN 0.327 nan 8.240 nan 0.000 0.479 4493 I N 1.152 121.725 120.570 0.005 0.000 2.500 4493 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 4493 I C 2.248 178.367 176.117 0.003 0.000 1.142 4493 I CA 1.225 62.528 61.300 0.004 0.000 1.451 4493 I CB -0.190 37.812 38.000 0.004 0.000 1.093 4493 I HN 0.257 nan 8.210 nan 0.000 0.430 4494 E N -0.739 119.463 120.200 0.003 0.000 2.140 4494 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 4494 E C 0.206 176.808 176.600 0.003 0.000 0.973 4494 E CA 0.494 56.896 56.400 0.003 0.000 0.829 4494 E CB 0.255 29.957 29.700 0.003 0.000 0.781 4494 E HN 0.226 nan 8.360 nan 0.000 0.466 4495 D N -0.485 119.917 120.400 0.004 0.000 2.446 4495 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 4495 D C 0.282 176.585 176.300 0.005 0.000 1.137 4495 D CA -0.392 53.611 54.000 0.004 0.000 0.890 4495 D CB 1.135 41.938 40.800 0.005 0.000 1.071 4495 D HN 0.045 nan 8.370 nan 0.000 0.528 4496 G N 3.107 111.909 108.800 0.005 0.000 3.194 4496 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 4496 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 4496 G C 0.501 175.405 174.900 0.006 0.000 1.240 4496 G CA 0.064 45.167 45.100 0.005 0.000 1.044 4496 G HN 0.246 nan 8.290 nan 0.000 0.495 4497 R N -0.389 120.115 120.500 0.006 0.000 2.637 4497 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 4497 R C 0.102 176.406 176.300 0.007 0.000 0.963 4497 R CA -0.638 55.466 56.100 0.007 0.000 0.901 4497 R CB 1.697 32.002 30.300 0.008 0.000 1.160 4497 R HN 0.323 nan 8.270 nan 0.000 0.457 4498 I N -1.876 118.699 120.570 0.007 0.000 3.145 4498 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 4498 I C -1.137 174.985 176.117 0.008 0.000 1.122 4498 I CA -1.317 59.987 61.300 0.007 0.000 0.987 4498 I CB 2.475 40.479 38.000 0.006 0.000 1.236 4498 I HN 0.325 nan 8.210 nan 0.000 0.453 4499 V N 1.528 121.445 119.914 0.006 0.000 3.077 4499 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 4499 V C -0.342 175.754 176.094 0.003 0.000 1.276 4499 V CA -0.270 62.035 62.300 0.007 0.000 0.993 4499 V CB 2.604 34.431 31.823 0.006 0.000 1.076 4499 V HN 0.993 nan 8.190 nan 0.000 0.434 4500 S N 3.485 119.190 115.700 0.008 0.000 2.560 4500 S HA 0.503 4.973 4.470 -0.000 0.000 0.284 4500 S C 0.569 175.159 174.600 -0.017 0.000 1.327 4500 S CA 0.378 58.579 58.200 0.002 0.000 1.055 4500 S CB 1.238 64.450 63.200 0.021 0.000 0.868 4500 S HN 1.229 nan 8.310 nan 0.000 0.506 4501 G N 0.623 109.406 108.800 -0.028 0.000 2.945 4501 G HA2 0.523 4.483 3.960 -0.000 0.000 0.156 4501 G HA3 0.523 4.483 3.960 -0.000 0.000 0.156 4501 G C 0.889 175.754 174.900 -0.057 0.000 1.375 4501 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 4501 G HN 1.526 nan 8.290 nan 0.000 0.586 4502 G N -1.502 107.256 108.800 -0.069 0.000 2.258 4502 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 4502 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 4502 G C 1.413 176.266 174.900 -0.079 0.000 1.021 4502 G CA 1.252 46.306 45.100 -0.077 0.000 0.798 4502 G HN 2.421 nan 8.290 nan 0.000 0.507 4503 G N -1.458 107.295 108.800 -0.078 0.000 2.160 4503 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 4503 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 4503 G C 1.332 176.164 174.900 -0.113 0.000 1.008 4503 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 4503 G HN 1.904 nan 8.290 nan 0.000 0.514 4504 S N -0.348 115.281 115.700 -0.118 0.000 2.383 4504 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 4504 S C 2.821 177.334 174.600 -0.145 0.000 1.026 4504 S CA 2.562 60.654 58.200 -0.178 0.000 0.981 4504 S CB -0.456 62.673 63.200 -0.118 0.000 0.818 4504 S HN 1.285 nan 8.310 nan 0.000 0.472 4505 T N 0.206 114.712 114.554 -0.080 0.000 2.622 4505 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 4505 T C 1.581 176.249 174.700 -0.054 0.000 1.047 4505 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 4505 T CB -0.979 67.874 68.868 -0.026 0.000 0.863 4505 T HN 0.386 nan 8.240 nan 0.000 0.422 4506 E N 0.841 121.003 120.200 -0.064 0.000 2.171 4506 E HA -0.057 4.292 4.350 -0.000 0.000 0.197 4506 E C 2.261 178.815 176.600 -0.077 0.000 0.997 4506 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 4506 E CB -0.662 28.988 29.700 -0.084 0.000 0.738 4506 E HN 0.414 nan 8.360 nan 0.000 0.467 4507 V N 0.898 120.745 119.914 -0.113 0.000 2.379 4507 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 4507 V C 2.118 178.151 176.094 -0.102 0.000 1.044 4507 V CA 1.470 63.692 62.300 -0.130 0.000 1.036 4507 V CB -0.316 31.376 31.823 -0.219 0.000 0.664 4507 V HN 0.220 nan 8.190 nan 0.000 0.453 4508 E N 0.053 120.195 120.200 -0.098 0.000 2.051 4508 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 4508 E C 2.193 178.775 176.600 -0.029 0.000 0.991 4508 E CA 1.180 57.560 56.400 -0.033 0.000 0.799 4508 E CB -0.306 29.393 29.700 -0.000 0.000 0.748 4508 E HN 0.338 nan 8.360 nan 0.000 0.449 4509 L N 0.945 122.157 121.223 -0.018 0.000 2.046 4509 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 4509 L C 2.577 179.443 176.870 -0.007 0.000 1.077 4509 L CA 1.467 56.312 54.840 0.010 0.000 0.747 4509 L CB -1.245 40.845 42.059 0.052 0.000 0.896 4509 L HN 0.041 nan 8.230 nan 0.000 0.432 4510 S N -1.247 114.441 115.700 -0.020 0.000 2.368 4510 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 4510 S C 2.049 176.619 174.600 -0.050 0.000 1.030 4510 S CA 1.633 59.819 58.200 -0.023 0.000 0.999 4510 S CB -0.177 63.000 63.200 -0.038 0.000 0.844 4510 S HN 0.330 nan 8.310 nan 0.000 0.459 4511 M N 1.304 120.864 119.600 -0.066 0.000 2.066 4511 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 4511 M C 1.787 177.985 176.300 -0.171 0.000 1.074 4511 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 4511 M CB -0.527 32.042 32.600 -0.051 0.000 1.306 4511 M HN 0.041 nan 8.290 nan 0.000 0.411 4512 K N 0.083 120.339 120.400 -0.241 0.000 2.097 4512 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 4512 K C 1.892 177.938 176.600 -0.922 0.000 1.049 4512 K CA 1.446 57.391 56.287 -0.569 0.000 0.933 4512 K CB -0.774 31.457 32.500 -0.448 0.000 0.717 4512 K HN 0.397 nan 8.250 nan 0.000 0.442 4513 L N 0.353 121.336 121.223 -0.400 0.000 2.131 4513 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 4513 L C 2.593 179.416 176.870 -0.080 0.000 1.092 4513 L CA 0.920 55.672 54.840 -0.146 0.000 0.759 4513 L CB -0.291 41.796 42.059 0.047 0.000 0.903 4513 L HN 0.179 nan 8.230 nan 0.000 0.435 4514 R N 0.754 121.193 120.500 -0.102 0.000 2.092 4514 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 4514 R C 1.864 178.141 176.300 -0.040 0.000 1.119 4514 R CA 1.545 57.620 56.100 -0.041 0.000 0.970 4514 R CB -0.055 30.223 30.300 -0.036 0.000 0.864 4514 R HN 0.485 nan 8.270 nan 0.000 0.440 4515 E N -0.788 119.340 120.200 -0.119 0.000 2.072 4515 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 4515 E C 1.886 178.546 176.600 0.100 0.000 0.982 4515 E CA 0.939 57.310 56.400 -0.048 0.000 0.803 4515 E CB -0.178 29.459 29.700 -0.105 0.000 0.755 4515 E HN 0.317 nan 8.360 nan 0.000 0.453 4516 Y N 0.807 121.117 120.300 0.016 0.000 2.207 4516 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 4516 Y C 2.398 178.305 175.900 0.011 0.000 1.156 4516 Y CA 0.644 58.750 58.100 0.010 0.000 1.182 4516 Y CB -1.252 37.212 38.460 0.006 0.000 0.979 4516 Y HN 0.041 nan 8.280 nan 0.000 0.521 4517 A N 0.329 123.250 122.820 0.168 0.000 1.883 4517 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 4517 A C 2.204 179.833 177.584 0.077 0.000 1.186 4517 A CA 1.854 53.952 52.037 0.102 0.000 0.624 4517 A CB -0.487 18.560 19.000 0.078 0.000 0.822 4517 A HN 0.343 nan 8.150 nan 0.000 0.444 4518 E N -0.537 119.706 120.200 0.070 0.000 2.150 4518 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 4518 E C 2.156 178.789 176.600 0.055 0.000 0.985 4518 E CA 1.081 57.513 56.400 0.053 0.000 0.814 4518 E CB -0.652 29.074 29.700 0.043 0.000 0.752 4518 E HN 0.603 nan 8.360 nan 0.000 0.466 4519 G N 1.151 109.997 108.800 0.076 0.000 2.402 4519 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 4519 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 4519 G C 1.739 176.663 174.900 0.039 0.000 1.162 4519 G CA 0.404 45.540 45.100 0.061 0.000 0.777 4519 G HN 0.179 nan 8.290 nan 0.000 0.539 4520 I N -0.145 120.452 120.570 0.044 0.000 2.286 4520 I HA 0.011 4.181 4.170 -0.000 0.000 0.245 4520 I C 1.748 177.878 176.117 0.023 0.000 1.104 4520 I CA 0.623 61.939 61.300 0.026 0.000 1.397 4520 I CB -0.276 37.741 38.000 0.029 0.000 1.072 4520 I HN 0.319 nan 8.210 nan 0.000 0.417 4521 S N -0.724 114.995 115.700 0.030 0.000 3.307 4521 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 4521 S C 0.590 175.202 174.600 0.020 0.000 2.711 4521 S CA 0.942 59.157 58.200 0.025 0.000 2.940 4521 S CB -1.372 61.840 63.200 0.019 0.000 0.331 4521 S HN 1.370 nan 8.310 nan 0.000 1.766 4522 G N 0.625 109.434 108.800 0.016 0.000 2.569 4522 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 4522 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 4522 G C 0.149 175.058 174.900 0.016 0.000 1.263 4522 G CA 1.166 46.273 45.100 0.013 0.000 0.928 4522 G HN 1.159 nan 8.290 nan 0.000 0.572 4523 R N 0.298 120.806 120.500 0.013 0.000 2.153 4523 R HA 0.195 4.535 4.340 -0.000 0.000 0.218 4523 R C 2.596 178.906 176.300 0.016 0.000 1.072 4523 R CA 1.801 57.910 56.100 0.015 0.000 0.990 4523 R CB -0.363 29.945 30.300 0.014 0.000 0.889 4523 R HN 0.706 nan 8.270 nan 0.000 0.452 4524 E N 0.470 120.677 120.200 0.012 0.000 2.160 4524 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 4524 E C 1.809 178.428 176.600 0.032 0.000 0.991 4524 E CA 1.453 57.860 56.400 0.012 0.000 0.810 4524 E CB -0.010 29.693 29.700 0.004 0.000 0.742 4524 E HN 0.534 nan 8.360 nan 0.000 0.466 4525 Q N 0.445 120.266 119.800 0.036 0.000 2.170 4525 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 4525 Q C 1.976 178.014 176.000 0.063 0.000 0.976 4525 Q CA 1.048 56.883 55.803 0.052 0.000 0.858 4525 Q CB -0.172 28.593 28.738 0.045 0.000 0.907 4525 Q HN 0.165 nan 8.270 nan 0.000 0.433 4526 L N 1.165 122.420 121.223 0.052 0.000 2.093 4526 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 4526 L C 2.559 179.483 176.870 0.089 0.000 1.085 4526 L CA 1.898 56.773 54.840 0.060 0.000 0.755 4526 L CB -1.077 41.005 42.059 0.039 0.000 0.904 4526 L HN 0.410 nan 8.230 nan 0.000 0.435 4527 A N -1.243 121.622 122.820 0.074 0.000 1.898 4527 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 4527 A C 2.331 180.076 177.584 0.268 0.000 1.181 4527 A CA 1.679 53.771 52.037 0.092 0.000 0.620 4527 A CB -0.803 18.185 19.000 -0.020 0.000 0.819 4527 A HN 0.193 nan 8.150 nan 0.000 0.442 4528 V N -0.125 119.901 119.914 0.186 0.000 2.515 4528 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 4528 V C 2.575 178.799 176.094 0.217 0.000 1.058 4528 V CA 2.043 64.462 62.300 0.198 0.000 1.064 4528 V CB -0.795 31.098 31.823 0.117 0.000 0.675 4528 V HN 0.607 nan 8.190 nan 0.000 0.461 4529 R N 0.227 120.827 120.500 0.167 0.000 2.075 4529 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 4529 R C 2.289 178.678 176.300 0.148 0.000 1.126 4529 R CA 1.497 57.674 56.100 0.128 0.000 0.963 4529 R CB -0.343 30.009 30.300 0.087 0.000 0.858 4529 R HN 0.490 nan 8.270 nan 0.000 0.435 4530 A N 0.004 122.951 122.820 0.212 0.000 1.969 4530 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 4530 A C 1.906 179.596 177.584 0.178 0.000 1.169 4530 A CA 0.892 53.063 52.037 0.223 0.000 0.635 4530 A CB -0.624 18.566 19.000 0.317 0.000 0.810 4530 A HN 0.483 nan 8.150 nan 0.000 0.445 4531 F N 0.882 120.878 119.950 0.077 0.000 2.134 4531 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 4531 F C 2.518 178.248 175.800 -0.118 0.000 1.097 4531 F CA 1.282 59.158 58.000 -0.207 0.000 1.264 4531 F CB -0.228 38.683 39.000 -0.148 0.000 1.001 4531 F HN 0.249 nan 8.300 nan 0.000 0.479 4532 A N -0.270 122.647 122.820 0.162 0.000 1.933 4532 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 4532 A C 1.876 179.438 177.584 -0.037 0.000 1.175 4532 A CA 1.966 54.042 52.037 0.065 0.000 0.628 4532 A CB -0.864 18.186 19.000 0.083 0.000 0.814 4532 A HN 0.413 nan 8.150 nan 0.000 0.444 4533 D N -0.104 120.280 120.400 -0.026 0.000 2.224 4533 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 4533 D C 2.118 178.359 176.300 -0.098 0.000 0.965 4533 D CA 1.227 55.201 54.000 -0.044 0.000 0.852 4533 D CB -0.285 40.511 40.800 -0.007 0.000 0.947 4533 D HN 0.421 nan 8.370 nan 0.000 0.494 4534 A N 0.535 123.253 122.820 -0.170 0.000 1.969 4534 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 4534 A C 2.243 179.663 177.584 -0.274 0.000 1.169 4534 A CA 0.549 52.440 52.037 -0.244 0.000 0.635 4534 A CB -0.630 18.136 19.000 -0.389 0.000 0.810 4534 A HN 0.204 nan 8.150 nan 0.000 0.445 4535 L N -0.575 120.465 121.223 -0.305 0.000 2.265 4535 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 4535 L C 2.411 179.187 176.870 -0.157 0.000 1.117 4535 L CA 1.483 56.172 54.840 -0.251 0.000 0.782 4535 L CB -0.418 41.517 42.059 -0.207 0.000 0.914 4535 L HN 0.564 nan 8.230 nan 0.000 0.441 4536 E N 0.001 120.124 120.200 -0.128 0.000 2.409 4536 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 4536 E C 2.202 178.751 176.600 -0.086 0.000 1.024 4536 E CA 0.503 56.847 56.400 -0.093 0.000 0.861 4536 E CB 0.176 29.831 29.700 -0.074 0.000 0.788 4536 E HN 0.307 nan 8.360 nan 0.000 0.521 4537 V N 0.871 120.726 119.914 -0.098 0.000 2.469 4537 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 4537 V C 1.920 177.969 176.094 -0.075 0.000 1.064 4537 V CA 1.225 63.475 62.300 -0.082 0.000 1.066 4537 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 4537 V HN 0.324 nan 8.190 nan 0.000 0.461 4538 I N 0.635 121.155 120.570 -0.084 0.000 2.113 4538 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 4538 I C 0.308 176.386 176.117 -0.066 0.000 1.070 4538 I CA 1.823 63.079 61.300 -0.074 0.000 1.332 4538 I CB -3.029 34.923 38.000 -0.080 0.000 1.044 4538 I HN 0.336 nan 8.210 nan 0.000 0.402 4539 P HA -0.136 nan 4.420 nan 0.000 0.216 4539 P C 1.727 178.995 177.300 -0.052 0.000 1.153 4539 P CA 1.394 64.457 63.100 -0.062 0.000 0.858 4539 P CB -0.120 31.540 31.700 -0.066 0.000 0.789 4540 R N -0.635 119.834 120.500 -0.051 0.000 2.091 4540 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 4540 R C 2.150 178.428 176.300 -0.038 0.000 1.136 4540 R CA 2.209 58.283 56.100 -0.043 0.000 0.959 4540 R CB -2.034 28.239 30.300 -0.044 0.000 0.856 4540 R HN 0.356 nan 8.270 nan 0.000 0.437 4541 T N -1.903 112.626 114.554 -0.041 0.000 3.057 4541 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 4541 T C 1.903 176.583 174.700 -0.033 0.000 1.094 4541 T CA -0.047 62.032 62.100 -0.035 0.000 1.088 4541 T CB -0.015 68.832 68.868 -0.036 0.000 0.934 4541 T HN -0.103 nan 8.240 nan 0.000 0.497 4542 L N 1.810 123.009 121.223 -0.040 0.000 2.027 4542 L HA 0.299 4.639 4.340 -0.000 0.000 0.206 4542 L C 2.933 179.781 176.870 -0.037 0.000 1.074 4542 L CA 1.765 56.579 54.840 -0.043 0.000 0.745 4542 L CB -1.168 40.858 42.059 -0.054 0.000 0.898 4542 L HN 0.429 nan 8.230 nan 0.000 0.433 4543 A N -1.642 121.158 122.820 -0.035 0.000 2.021 4543 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 4543 A C 2.278 179.851 177.584 -0.018 0.000 1.163 4543 A CA 1.054 53.075 52.037 -0.026 0.000 0.676 4543 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 4543 A HN 0.464 nan 8.150 nan 0.000 0.453 4544 E N 0.339 120.527 120.200 -0.020 0.000 2.028 4544 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 4544 E C 1.482 178.076 176.600 -0.010 0.000 0.988 4544 E CA 1.336 57.728 56.400 -0.015 0.000 0.799 4544 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 4544 E HN 0.512 nan 8.360 nan 0.000 0.447 4545 N N 0.301 118.994 118.700 -0.011 0.000 2.309 4545 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 4545 N C 1.394 176.906 175.510 0.003 0.000 1.018 4545 N CA 1.121 54.168 53.050 -0.005 0.000 0.876 4545 N CB -0.215 38.268 38.487 -0.008 0.000 0.972 4545 N HN 0.233 nan 8.380 nan 0.000 0.434 4546 A N -0.128 122.693 122.820 0.000 0.000 2.067 4546 A HA 0.320 4.640 4.320 -0.000 0.000 0.217 4546 A C 1.512 179.105 177.584 0.015 0.000 1.156 4546 A CA 1.106 53.150 52.037 0.011 0.000 0.683 4546 A CB -0.369 18.631 19.000 0.000 0.000 0.808 4546 A HN 0.312 nan 8.150 nan 0.000 0.455 4547 G N -1.326 107.478 108.800 0.006 0.000 2.137 4547 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.237 4547 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.237 4547 G C -0.026 174.877 174.900 0.005 0.000 1.002 4547 G CA 0.285 45.388 45.100 0.006 0.000 0.702 4547 G HN 0.432 nan 8.290 nan 0.000 0.515 4548 L N 0.135 121.358 121.223 0.001 0.000 2.399 4548 L HA 0.446 4.785 4.340 -0.000 0.000 0.265 4548 L C 0.547 177.414 176.870 -0.006 0.000 1.089 4548 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 4548 L CB 0.844 42.900 42.059 -0.005 0.000 1.180 4548 L HN 0.095 nan 8.230 nan 0.000 0.454 4549 D N 1.185 121.582 120.400 -0.005 0.000 2.346 4549 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 4549 D C 0.754 177.047 176.300 -0.012 0.000 1.320 4549 D CA 0.171 54.166 54.000 -0.007 0.000 0.951 4549 D CB 1.602 42.398 40.800 -0.005 0.000 1.079 4549 D HN 0.638 nan 8.370 nan 0.000 0.509 4550 A N 4.925 127.736 122.820 -0.014 0.000 1.908 4550 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 4550 A C 2.301 179.873 177.584 -0.020 0.000 1.181 4550 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 4550 A CB -0.353 18.634 19.000 -0.021 0.000 0.818 4550 A HN 0.755 nan 8.150 nan 0.000 0.445 4551 I N -1.069 119.491 120.570 -0.016 0.000 2.142 4551 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 4551 I C 2.607 178.716 176.117 -0.013 0.000 1.078 4551 I CA 1.861 63.152 61.300 -0.015 0.000 1.343 4551 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 4551 I HN 0.368 nan 8.210 nan 0.000 0.405 4552 E N 1.225 121.419 120.200 -0.011 0.000 2.072 4552 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 4552 E C 2.131 178.726 176.600 -0.009 0.000 0.985 4552 E CA 1.220 57.615 56.400 -0.008 0.000 0.801 4552 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 4552 E HN 0.238 nan 8.360 nan 0.000 0.452 4553 I N 0.371 120.934 120.570 -0.012 0.000 2.127 4553 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 4553 I C 2.079 178.186 176.117 -0.017 0.000 1.075 4553 I CA 0.948 62.239 61.300 -0.014 0.000 1.334 4553 I CB -1.092 36.897 38.000 -0.018 0.000 1.040 4553 I HN 0.226 nan 8.210 nan 0.000 0.405 4554 L N 0.149 121.359 121.223 -0.022 0.000 2.042 4554 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 4554 L C 2.622 179.481 176.870 -0.019 0.000 1.076 4554 L CA 1.385 56.208 54.840 -0.027 0.000 0.749 4554 L CB -1.206 40.834 42.059 -0.031 0.000 0.893 4554 L HN 0.018 nan 8.230 nan 0.000 0.432 4555 V N -0.830 119.076 119.914 -0.013 0.000 2.358 4555 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 4555 V C 2.600 178.694 176.094 -0.001 0.000 1.047 4555 V CA 1.345 63.641 62.300 -0.007 0.000 1.035 4555 V CB -0.519 31.300 31.823 -0.006 0.000 0.658 4555 V HN 0.380 nan 8.190 nan 0.000 0.452 4556 K N -0.069 120.330 120.400 -0.001 0.000 2.057 4556 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 4556 K C 2.141 178.747 176.600 0.010 0.000 1.050 4556 K CA 1.054 57.343 56.287 0.004 0.000 0.935 4556 K CB -0.715 31.786 32.500 0.001 0.000 0.715 4556 K HN 0.383 nan 8.250 nan 0.000 0.439 4557 V N 1.533 121.450 119.914 0.004 0.000 2.261 4557 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 4557 V C 2.496 178.611 176.094 0.035 0.000 1.047 4557 V CA 1.660 63.967 62.300 0.011 0.000 1.015 4557 V CB -0.429 31.386 31.823 -0.014 0.000 0.642 4557 V HN 0.299 nan 8.190 nan 0.000 0.446 4558 R N 0.042 120.550 120.500 0.013 0.000 2.091 4558 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 4558 R C 2.414 178.757 176.300 0.071 0.000 1.136 4558 R CA 1.579 57.696 56.100 0.029 0.000 0.959 4558 R CB -0.659 29.639 30.300 -0.003 0.000 0.856 4558 R HN 0.558 nan 8.270 nan 0.000 0.437 4559 A N 1.254 124.099 122.820 0.041 0.000 1.858 4559 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 4559 A C 2.406 180.013 177.584 0.038 0.000 1.190 4559 A CA 1.726 53.783 52.037 0.033 0.000 0.617 4559 A CB -0.803 18.207 19.000 0.017 0.000 0.827 4559 A HN 0.405 nan 8.150 nan 0.000 0.443 4560 A N -1.209 121.636 122.820 0.041 0.000 1.908 4560 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 4560 A C 2.155 179.766 177.584 0.046 0.000 1.181 4560 A CA 1.871 53.928 52.037 0.035 0.000 0.627 4560 A CB -0.993 18.026 19.000 0.032 0.000 0.818 4560 A HN 0.791 nan 8.150 nan 0.000 0.445 4561 H N 0.022 119.084 119.070 -0.013 0.000 2.353 4561 H HA -0.046 4.510 4.556 0.000 0.000 0.300 4561 H C 2.207 177.528 175.328 -0.012 0.000 1.090 4561 H CA 1.663 57.703 56.048 -0.013 0.000 1.327 4561 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 4561 H HN 0.398 nan 8.280 nan 0.000 0.508 4562 A N -0.084 122.746 122.820 0.017 0.000 2.019 4562 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 4562 A C 2.700 180.239 177.584 -0.075 0.000 1.164 4562 A CA 1.798 53.816 52.037 -0.033 0.000 0.644 4562 A CB -0.624 18.396 19.000 0.034 0.000 0.805 4562 A HN 0.511 nan 8.150 nan 0.000 0.449 4563 S N -0.557 115.108 115.700 -0.058 0.000 2.370 4563 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 4563 S C 1.792 176.351 174.600 -0.068 0.000 1.033 4563 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 4563 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 4563 S HN 0.568 nan 8.310 nan 0.000 0.521 4564 N N 1.308 119.968 118.700 -0.067 0.000 2.396 4564 N HA 0.213 4.953 4.740 -0.000 0.000 0.180 4564 N C 1.069 176.520 175.510 -0.099 0.000 1.028 4564 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 4564 N CB -0.017 38.449 38.487 -0.035 0.000 0.967 4564 N HN 0.634 nan 8.380 nan 0.000 0.440 4565 G N 0.336 109.021 108.800 -0.193 0.000 2.378 4565 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 4565 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 4565 G C 0.048 174.727 174.900 -0.369 0.000 1.223 4565 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 4565 G HN 0.262 nan 8.290 nan 0.000 0.530 4566 N N 0.429 119.025 118.700 -0.174 0.000 2.415 4566 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 4566 N C 1.617 177.168 175.510 0.067 0.000 1.048 4566 N CA 1.167 54.224 53.050 0.011 0.000 0.895 4566 N CB 0.140 38.660 38.487 0.055 0.000 1.036 4566 N HN 0.609 nan 8.380 nan 0.000 0.449 4567 K N -0.652 119.757 120.400 0.015 0.000 2.399 4567 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 4567 K C -0.540 176.068 176.600 0.013 0.000 1.023 4567 K CA 0.010 56.309 56.287 0.019 0.000 1.127 4567 K CB 0.333 32.838 32.500 0.008 0.000 0.856 4567 K HN 0.016 nan 8.250 nan 0.000 0.514 4568 C N 1.294 120.600 119.300 0.011 0.000 3.401 4568 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 4568 C C 0.405 175.411 174.990 0.026 0.000 1.522 4568 C CA -0.507 58.515 59.018 0.007 0.000 1.409 4568 C CB -0.541 27.190 27.740 -0.015 0.000 1.967 4568 C HN 0.662 nan 8.230 nan 0.000 0.496 4569 A N 0.477 123.327 122.820 0.050 0.000 3.169 4569 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 4569 A C 0.531 178.136 177.584 0.034 0.000 1.265 4569 A CA 0.559 52.637 52.037 0.069 0.000 2.339 4569 A CB -0.750 18.346 19.000 0.160 0.000 2.810 4569 A HN 1.986 nan 8.150 nan 0.000 1.169 4570 G N -1.369 107.450 108.800 0.031 0.000 2.960 4570 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 4570 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 4570 G C -0.322 174.562 174.900 -0.027 0.000 1.492 4570 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 4570 G HN 2.018 nan 8.290 nan 0.000 0.555 4571 L N 0.085 121.278 121.223 -0.051 0.000 2.312 4571 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 4571 L C 0.231 177.049 176.870 -0.086 0.000 1.070 4571 L CA -0.829 53.976 54.840 -0.058 0.000 0.805 4571 L CB 1.600 43.620 42.059 -0.064 0.000 1.174 4571 L HN 0.675 nan 8.230 nan 0.000 0.434 4572 N N 3.114 121.769 118.700 -0.075 0.000 2.800 4572 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 4572 N C 0.657 176.108 175.510 -0.099 0.000 1.096 4572 N CA -0.311 52.675 53.050 -0.108 0.000 0.877 4572 N CB 0.943 39.404 38.487 -0.044 0.000 1.138 4572 N HN 0.515 nan 8.380 nan 0.000 0.509 4573 V N 2.528 122.328 119.914 -0.189 0.000 2.453 4573 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 4573 V C 1.484 177.622 176.094 0.073 0.000 1.068 4573 V CA 1.544 63.784 62.300 -0.101 0.000 1.070 4573 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 4573 V HN 0.581 nan 8.190 nan 0.000 0.461 4574 F N 1.179 121.127 119.950 -0.004 0.000 2.146 4574 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 4574 F C 2.665 178.464 175.800 -0.003 0.000 1.096 4574 F CA 1.773 59.771 58.000 -0.004 0.000 1.275 4574 F CB -1.582 37.415 39.000 -0.004 0.000 1.008 4574 F HN 0.383 nan 8.300 nan 0.000 0.480 4575 T N -3.749 110.917 114.554 0.187 0.000 3.044 4575 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 4575 T C 1.562 176.299 174.700 0.061 0.000 1.081 4575 T CA 0.477 62.637 62.100 0.100 0.000 1.040 4575 T CB -0.123 68.791 68.868 0.077 0.000 0.962 4575 T HN 0.420 nan 8.240 nan 0.000 0.506 4576 G N 1.192 110.024 108.800 0.052 0.000 2.295 4576 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 4576 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 4576 G C 0.112 175.021 174.900 0.015 0.000 1.055 4576 G CA -0.055 45.061 45.100 0.027 0.000 0.922 4576 G HN 1.442 nan 8.290 nan 0.000 0.503 4577 A N -1.698 121.128 122.820 0.011 0.000 2.608 4577 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 4577 A C 0.309 177.895 177.584 0.002 0.000 1.066 4577 A CA 0.048 52.089 52.037 0.008 0.000 0.676 4577 A CB 0.881 19.889 19.000 0.013 0.000 1.277 4577 A HN 1.942 nan 8.150 nan 0.000 0.413 4578 V N -0.646 119.270 119.914 0.003 0.000 3.209 4578 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 4578 V C 0.173 176.271 176.094 0.006 0.000 1.127 4578 V CA 0.368 62.670 62.300 0.004 0.000 1.235 4578 V CB 0.179 32.009 31.823 0.011 0.000 0.987 4578 V HN 0.940 nan 8.190 nan 0.000 0.499 4579 E N 0.679 120.883 120.200 0.006 0.000 2.296 4579 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 4579 E C -1.412 175.194 176.600 0.009 0.000 0.949 4579 E CA -0.598 55.807 56.400 0.008 0.000 0.879 4579 E CB 0.822 30.527 29.700 0.008 0.000 1.922 4579 E HN 0.877 nan 8.360 nan 0.000 0.437 4580 D N 1.262 121.668 120.400 0.009 0.000 2.441 4580 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 4580 D C 0.870 177.175 176.300 0.008 0.000 1.073 4580 D CA -0.303 53.702 54.000 0.009 0.000 0.850 4580 D CB 0.802 41.607 40.800 0.008 0.000 1.062 4580 D HN 0.188 nan 8.370 nan 0.000 0.524 4581 M N 1.947 121.552 119.600 0.007 0.000 2.108 4581 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 4581 M C 2.281 178.584 176.300 0.005 0.000 1.066 4581 M CA 0.860 56.161 55.300 0.001 0.000 1.107 4581 M CB -1.094 31.507 32.600 0.001 0.000 1.356 4581 M HN 0.547 nan 8.290 nan 0.000 0.406 4582 C N 0.448 119.753 119.300 0.008 0.000 2.453 4582 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 4582 C C 2.713 177.708 174.990 0.009 0.000 1.262 4582 C CA 1.497 60.520 59.018 0.008 0.000 1.718 4582 C CB -0.857 26.888 27.740 0.008 0.000 2.031 4582 C HN 0.596 nan 8.230 nan 0.000 0.480 4583 E N 1.152 121.357 120.200 0.009 0.000 2.118 4583 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 4583 E C 1.611 178.219 176.600 0.014 0.000 0.992 4583 E CA 1.681 58.087 56.400 0.010 0.000 0.804 4583 E CB -0.373 29.332 29.700 0.010 0.000 0.741 4583 E HN 0.632 nan 8.360 nan 0.000 0.458 4584 N N -0.435 118.274 118.700 0.015 0.000 2.398 4584 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 4584 N C 0.546 176.068 175.510 0.020 0.000 1.122 4584 N CA 0.898 53.961 53.050 0.021 0.000 0.866 4584 N CB 0.529 39.029 38.487 0.022 0.000 0.970 4584 N HN 0.287 nan 8.380 nan 0.000 0.462 4585 G N 0.541 109.349 108.800 0.014 0.000 2.283 4585 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 4585 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 4585 G C -0.090 174.816 174.900 0.010 0.000 1.029 4585 G CA 0.262 45.369 45.100 0.013 0.000 0.840 4585 G HN 0.200 nan 8.290 nan 0.000 0.505 4586 V N 1.064 120.979 119.914 0.002 0.000 2.222 4586 V HA 0.477 4.597 4.120 -0.000 0.000 0.253 4586 V C 0.792 176.877 176.094 -0.015 0.000 1.210 4586 V CA 0.068 62.361 62.300 -0.012 0.000 1.079 4586 V CB 0.540 32.342 31.823 -0.034 0.000 1.265 4586 V HN 0.961 nan 8.190 nan 0.000 0.494 4587 V N 1.912 121.822 119.914 -0.007 0.000 2.914 4587 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 4587 V C -0.574 175.516 176.094 -0.007 0.000 1.084 4587 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 4587 V CB 2.295 34.118 31.823 0.000 0.000 1.025 4587 V HN 0.777 nan 8.190 nan 0.000 0.432 4588 E N 2.153 122.349 120.200 -0.008 0.000 2.336 4588 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 4588 E C -3.108 173.491 176.600 -0.002 0.000 0.906 4588 E CA -2.475 53.922 56.400 -0.006 0.000 0.781 4588 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 4588 E HN 0.494 nan 8.360 nan 0.000 0.436 4589 P HA -0.032 nan 4.420 nan 0.000 0.269 4589 P C 0.335 177.636 177.300 0.001 0.000 1.209 4589 P CA -0.410 62.691 63.100 0.002 0.000 0.776 4589 P CB 0.524 32.225 31.700 0.002 0.000 0.876 4590 L N 3.405 124.630 121.223 0.004 0.000 2.093 4590 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 4590 L C 2.202 179.075 176.870 0.006 0.000 1.085 4590 L CA 1.714 56.557 54.840 0.005 0.000 0.755 4590 L CB -0.628 41.436 42.059 0.008 0.000 0.904 4590 L HN 0.268 nan 8.230 nan 0.000 0.435 4591 R N -1.441 119.062 120.500 0.005 0.000 2.127 4591 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 4591 R C 2.103 178.405 176.300 0.004 0.000 1.134 4591 R CA 1.416 57.519 56.100 0.005 0.000 0.975 4591 R CB -0.598 29.705 30.300 0.005 0.000 0.865 4591 R HN 0.293 nan 8.270 nan 0.000 0.447 4592 V N 1.361 121.276 119.914 0.002 0.000 2.255 4592 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 4592 V C 2.289 178.383 176.094 -0.001 0.000 1.051 4592 V CA 1.710 64.009 62.300 -0.001 0.000 1.018 4592 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 4592 V HN 0.221 nan 8.190 nan 0.000 0.445 4593 K N -0.263 120.137 120.400 -0.001 0.000 2.103 4593 K HA -0.060 4.259 4.320 -0.000 0.000 0.204 4593 K C 2.233 178.838 176.600 0.008 0.000 1.052 4593 K CA 1.568 57.854 56.287 -0.001 0.000 0.945 4593 K CB -0.705 31.794 32.500 -0.002 0.000 0.722 4593 K HN 0.501 nan 8.250 nan 0.000 0.443 4594 T N 1.343 115.904 114.554 0.011 0.000 2.737 4594 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 4594 T C 1.928 176.638 174.700 0.017 0.000 1.038 4594 T CA 1.435 63.545 62.100 0.017 0.000 1.144 4594 T CB -0.074 68.803 68.868 0.015 0.000 0.866 4594 T HN 0.157 nan 8.240 nan 0.000 0.434 4595 Q N 1.315 121.122 119.800 0.012 0.000 2.079 4595 Q HA 0.119 4.459 4.340 -0.000 0.000 0.200 4595 Q C 2.312 178.319 176.000 0.012 0.000 0.974 4595 Q CA 1.665 57.475 55.803 0.012 0.000 0.840 4595 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 4595 Q HN 0.471 nan 8.270 nan 0.000 0.430 4596 A N 0.402 123.227 122.820 0.008 0.000 1.892 4596 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 4596 A C 2.145 179.735 177.584 0.010 0.000 1.188 4596 A CA 1.781 53.821 52.037 0.003 0.000 0.631 4596 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 4596 A HN 0.489 nan 8.150 nan 0.000 0.447 4597 I N -1.087 119.495 120.570 0.020 0.000 2.202 4597 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 4597 I C 2.783 178.932 176.117 0.052 0.000 1.091 4597 I CA 1.775 63.101 61.300 0.043 0.000 1.368 4597 I CB -0.347 37.694 38.000 0.067 0.000 1.058 4597 I HN 0.439 nan 8.210 nan 0.000 0.410 4598 Q N 1.100 120.924 119.800 0.039 0.000 1.975 4598 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 4598 Q C 2.295 178.315 176.000 0.034 0.000 0.990 4598 Q CA 2.630 58.455 55.803 0.036 0.000 0.845 4598 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 4598 Q HN 0.327 nan 8.270 nan 0.000 0.420 4599 S N 0.191 115.906 115.700 0.025 0.000 2.383 4599 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 4599 S C 1.897 176.512 174.600 0.024 0.000 1.030 4599 S CA 0.987 59.200 58.200 0.021 0.000 1.002 4599 S CB -0.665 62.543 63.200 0.014 0.000 0.829 4599 S HN 0.587 nan 8.310 nan 0.000 0.467 4600 A N 1.547 124.382 122.820 0.024 0.000 1.877 4600 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 4600 A C 2.363 179.971 177.584 0.041 0.000 1.186 4600 A CA 1.725 53.775 52.037 0.021 0.000 0.620 4600 A CB -1.079 17.924 19.000 0.005 0.000 0.822 4600 A HN 0.524 nan 8.150 nan 0.000 0.443 4601 A N -0.319 122.540 122.820 0.065 0.000 1.930 4601 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 4601 A C 1.885 179.518 177.584 0.081 0.000 1.175 4601 A CA 1.513 53.609 52.037 0.099 0.000 0.627 4601 A CB -0.503 18.571 19.000 0.123 0.000 0.815 4601 A HN 0.625 nan 8.150 nan 0.000 0.443 4602 E N 0.053 120.288 120.200 0.058 0.000 2.153 4602 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 4602 E C 2.164 178.791 176.600 0.044 0.000 0.988 4602 E CA 1.241 57.669 56.400 0.047 0.000 0.811 4602 E CB -0.093 29.627 29.700 0.034 0.000 0.746 4602 E HN 0.605 nan 8.360 nan 0.000 0.466 4603 S N 0.181 115.906 115.700 0.041 0.000 2.377 4603 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 4603 S C 2.106 176.735 174.600 0.047 0.000 1.030 4603 S CA 1.145 59.367 58.200 0.036 0.000 0.970 4603 S CB -0.158 63.058 63.200 0.027 0.000 0.830 4603 S HN 0.255 nan 8.310 nan 0.000 0.473 4604 T N 1.976 116.568 114.554 0.063 0.000 2.788 4604 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 4604 T C 1.786 176.545 174.700 0.098 0.000 1.044 4604 T CA 1.050 63.202 62.100 0.087 0.000 1.139 4604 T CB -0.236 68.704 68.868 0.121 0.000 0.867 4604 T HN 0.329 nan 8.240 nan 0.000 0.454 4605 E N 1.015 121.271 120.200 0.093 0.000 2.150 4605 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 4605 E C 2.155 178.788 176.600 0.055 0.000 0.985 4605 E CA 0.710 57.158 56.400 0.080 0.000 0.814 4605 E CB -0.258 29.484 29.700 0.070 0.000 0.752 4605 E HN 0.341 nan 8.360 nan 0.000 0.466 4606 M N 0.653 120.282 119.600 0.047 0.000 2.117 4606 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 4606 M C 2.144 178.465 176.300 0.035 0.000 1.065 4606 M CA 1.180 56.501 55.300 0.036 0.000 1.114 4606 M CB -0.492 32.126 32.600 0.031 0.000 1.361 4606 M HN 0.127 nan 8.290 nan 0.000 0.408 4607 L N -0.105 121.142 121.223 0.040 0.000 2.056 4607 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 4607 L C 2.464 179.356 176.870 0.037 0.000 1.078 4607 L CA 0.853 55.715 54.840 0.036 0.000 0.749 4607 L CB -0.748 41.334 42.059 0.039 0.000 0.901 4607 L HN 0.294 nan 8.230 nan 0.000 0.433 4608 L N -0.379 120.873 121.223 0.048 0.000 2.191 4608 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 4608 L C 2.770 179.659 176.870 0.031 0.000 1.103 4608 L CA 0.989 55.853 54.840 0.041 0.000 0.769 4608 L CB -0.426 41.664 42.059 0.052 0.000 0.908 4608 L HN 0.261 nan 8.230 nan 0.000 0.438 4609 R N 0.571 121.090 120.500 0.033 0.000 2.148 4609 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 4609 R C 0.768 177.084 176.300 0.026 0.000 1.088 4609 R CA 0.312 56.429 56.100 0.030 0.000 0.985 4609 R CB -0.009 30.308 30.300 0.028 0.000 0.880 4609 R HN 0.227 nan 8.270 nan 0.000 0.451 4610 I N 2.167 122.752 120.570 0.024 0.000 2.517 4610 I HA -0.055 4.115 4.170 -0.000 0.000 0.285 4610 I C -0.000 176.128 176.117 0.018 0.000 1.106 4610 I CA 0.478 61.791 61.300 0.021 0.000 1.402 4610 I CB 0.963 38.975 38.000 0.021 0.000 1.399 4610 I HN 0.101 nan 8.210 nan 0.000 0.535 4611 D N 4.168 124.579 120.400 0.017 0.000 2.535 4611 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 4611 D C -0.498 175.810 176.300 0.013 0.000 1.238 4611 D CA 0.244 54.251 54.000 0.011 0.000 0.824 4611 D CB 0.684 41.490 40.800 0.010 0.000 1.045 4611 D HN 0.466 nan 8.370 nan 0.000 0.500 4612 D N 0.475 120.886 120.400 0.018 0.000 2.931 4612 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 4612 D C -1.445 174.872 176.300 0.027 0.000 1.297 4612 D CA -0.421 53.593 54.000 0.023 0.000 0.892 4612 D CB 2.064 42.876 40.800 0.020 0.000 1.642 4612 D HN -0.322 nan 8.370 nan 0.000 0.560 4613 V N 5.012 124.947 119.914 0.036 0.000 2.443 4613 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 4613 V C 0.028 176.156 176.094 0.057 0.000 1.021 4613 V CA -0.568 61.758 62.300 0.042 0.000 0.848 4613 V CB 1.588 33.435 31.823 0.041 0.000 0.998 4613 V HN 0.519 nan 8.190 nan 0.000 0.424 4614 I N 4.539 125.138 120.570 0.049 0.000 2.437 4614 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 4614 I C 0.222 176.369 176.117 0.050 0.000 1.028 4614 I CA -0.403 60.929 61.300 0.052 0.000 1.142 4614 I CB 1.609 39.630 38.000 0.035 0.000 1.266 4614 I HN 0.660 nan 8.210 nan 0.000 0.461 4615 A N 5.145 128.007 122.820 0.070 0.000 2.287 4615 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 4615 A C 0.296 177.909 177.584 0.048 0.000 1.220 4615 A CA -0.437 51.632 52.037 0.053 0.000 0.835 4615 A CB 0.965 19.997 19.000 0.053 0.000 1.180 4615 A HN 0.744 nan 8.150 nan 0.000 0.500 4616 A N 1.981 124.815 122.820 0.023 0.000 2.429 4616 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 4616 A C 0.614 178.200 177.584 0.002 0.000 1.088 4616 A CA 0.175 52.219 52.037 0.012 0.000 0.784 4616 A CB -0.020 18.983 19.000 0.005 0.000 1.038 4616 A HN 0.946 nan 8.150 nan 0.000 0.501 4617 E N 0.000 120.198 120.200 -0.003 0.000 2.725 4617 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 4617 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 4617 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 4617 E HN 0.000 nan 8.360 nan 0.000 0.440