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 3izm_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 0.000 176.084 176.094 -0.017 0.000 1.182 4105 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 4105 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 4106 L N 2.408 123.618 121.223 -0.021 0.000 2.325 4106 L HA 0.621 4.961 4.340 0.000 0.000 0.278 4106 L C -2.351 174.504 176.870 -0.025 0.000 1.023 4106 L CA -1.586 53.239 54.840 -0.026 0.000 0.811 4106 L CB 1.048 43.087 42.059 -0.035 0.000 1.249 4106 L HN 0.158 nan 8.230 nan 0.000 0.431 4107 P HA 0.046 nan 4.420 nan 0.000 0.265 4107 P C -0.583 176.703 177.300 -0.024 0.000 1.193 4107 P CA -0.300 62.787 63.100 -0.021 0.000 0.765 4107 P CB 0.492 32.181 31.700 -0.019 0.000 0.823 4108 E N 2.922 123.110 120.200 -0.020 0.000 2.376 4108 E HA 0.040 4.390 4.350 0.000 0.000 0.266 4108 E C 0.507 177.094 176.600 -0.020 0.000 1.009 4108 E CA 0.621 57.009 56.400 -0.021 0.000 0.902 4108 E CB -0.140 29.551 29.700 -0.015 0.000 0.972 4108 E HN 0.395 nan 8.360 nan 0.000 0.439 4109 N N 1.954 120.639 118.700 -0.025 0.000 2.990 4109 N HA -0.199 4.541 4.740 0.000 0.000 0.163 4109 N C -0.160 175.330 175.510 -0.034 0.000 1.452 4109 N CA 0.653 53.690 53.050 -0.022 0.000 1.624 4109 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 4109 N HN 0.583 nan 8.380 nan 0.000 0.695 4110 M N 2.842 122.416 119.600 -0.043 0.000 2.248 4110 M HA 0.066 4.546 4.480 0.000 0.000 0.345 4110 M C -0.452 175.789 176.300 -0.098 0.000 1.243 4110 M CA 0.666 55.929 55.300 -0.061 0.000 1.090 4110 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 4110 M HN -0.122 nan 8.290 nan 0.000 0.450 4111 K N 5.195 125.518 120.400 -0.129 0.000 2.259 4111 K HA 0.538 4.858 4.320 0.000 0.000 0.252 4111 K C -1.123 175.275 176.600 -0.336 0.000 0.936 4111 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 4111 K CB 2.197 34.572 32.500 -0.208 0.000 1.143 4111 K HN 0.770 nan 8.250 nan 0.000 0.427 4112 R N 2.140 122.329 120.500 -0.519 0.000 2.604 4112 R HA 0.422 4.762 4.340 0.000 0.000 0.281 4112 R C -1.483 174.466 176.300 -0.584 0.000 1.020 4112 R CA -0.530 55.322 56.100 -0.414 0.000 0.899 4112 R CB 1.208 31.389 30.300 -0.198 0.000 1.205 4112 R HN 0.601 nan 8.270 nan 0.000 0.450 4113 Y N 4.283 124.576 120.300 -0.013 0.000 2.512 4113 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 4113 Y C 0.155 176.059 175.900 0.007 0.000 0.990 4113 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 4113 Y CB 2.375 40.851 38.460 0.027 0.000 1.259 4113 Y HN 0.409 nan 8.280 nan 0.000 0.461 4114 M N 0.857 120.554 119.600 0.162 0.000 2.520 4114 M HA 0.772 5.252 4.480 0.000 0.000 0.280 4114 M C 0.052 176.394 176.300 0.070 0.000 1.232 4114 M CA -0.182 55.171 55.300 0.087 0.000 0.892 4114 M CB 1.224 33.852 32.600 0.046 0.000 1.728 4114 M HN 0.898 nan 8.290 nan 0.000 0.475 4115 G N 2.711 111.538 108.800 0.045 0.000 2.622 4115 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 4115 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 4115 G C 0.643 175.556 174.900 0.022 0.000 1.226 4115 G CA 1.333 46.448 45.100 0.024 0.000 0.997 4115 G HN 1.189 nan 8.290 nan 0.000 0.551 4116 R N 0.363 120.873 120.500 0.016 0.000 2.096 4116 R HA -0.070 4.270 4.340 0.000 0.000 0.235 4116 R C 2.156 178.468 176.300 0.020 0.000 1.127 4116 R CA 2.200 58.305 56.100 0.009 0.000 0.968 4116 R CB -0.406 29.897 30.300 0.005 0.000 0.861 4116 R HN 0.612 nan 8.270 nan 0.000 0.440 4117 D N 0.042 120.472 120.400 0.050 0.000 2.183 4117 D HA -0.074 4.566 4.640 0.000 0.000 0.203 4117 D C 1.700 178.034 176.300 0.056 0.000 0.969 4117 D CA 1.225 55.267 54.000 0.071 0.000 0.842 4117 D CB -0.061 40.833 40.800 0.156 0.000 0.957 4117 D HN 0.374 nan 8.370 nan 0.000 0.484 4118 A N 1.226 124.106 122.820 0.099 0.000 1.877 4118 A HA -0.191 4.129 4.320 0.000 0.000 0.216 4118 A C 2.155 179.759 177.584 0.034 0.000 1.186 4118 A CA 1.175 53.272 52.037 0.100 0.000 0.620 4118 A CB -0.359 18.707 19.000 0.111 0.000 0.822 4118 A HN 0.067 nan 8.150 nan 0.000 0.443 4119 Q N -0.705 119.106 119.800 0.017 0.000 2.079 4119 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 4119 Q C 2.266 178.251 176.000 -0.026 0.000 0.974 4119 Q CA 1.607 57.408 55.803 -0.003 0.000 0.840 4119 Q CB -0.380 28.352 28.738 -0.010 0.000 0.898 4119 Q HN 0.758 nan 8.270 nan 0.000 0.430 4120 R N -0.158 120.321 120.500 -0.035 0.000 2.066 4120 R HA -0.060 4.280 4.340 0.000 0.000 0.232 4120 R C 2.157 178.395 176.300 -0.103 0.000 1.131 4120 R CA 1.097 57.163 56.100 -0.056 0.000 0.955 4120 R CB 0.048 30.322 30.300 -0.044 0.000 0.851 4120 R HN 0.135 nan 8.270 nan 0.000 0.432 4121 M N 0.762 120.275 119.600 -0.145 0.000 2.229 4121 M HA -0.104 4.376 4.480 0.000 0.000 0.264 4121 M C 1.647 177.785 176.300 -0.268 0.000 1.063 4121 M CA 1.411 56.569 55.300 -0.238 0.000 1.114 4121 M CB -1.095 31.249 32.600 -0.426 0.000 1.387 4121 M HN 0.293 nan 8.290 nan 0.000 0.420 4122 N N 0.221 118.840 118.700 -0.135 0.000 2.171 4122 N HA -0.057 4.683 4.740 0.000 0.000 0.184 4122 N C 1.834 177.265 175.510 -0.132 0.000 1.021 4122 N CA 1.048 54.027 53.050 -0.117 0.000 0.854 4122 N CB 0.085 38.577 38.487 0.009 0.000 0.994 4122 N HN 0.297 nan 8.380 nan 0.000 0.426 4123 I N 0.905 121.420 120.570 -0.091 0.000 2.286 4123 I HA -0.232 3.938 4.170 0.000 0.000 0.248 4123 I C 1.901 177.958 176.117 -0.100 0.000 1.115 4123 I CA 0.708 61.966 61.300 -0.070 0.000 1.392 4123 I CB -0.027 37.949 38.000 -0.042 0.000 1.065 4123 I HN 0.076 nan 8.210 nan 0.000 0.418 4124 L N 0.716 121.859 121.223 -0.133 0.000 2.005 4124 L HA -0.143 4.197 4.340 0.000 0.000 0.207 4124 L C 2.729 179.494 176.870 -0.176 0.000 1.072 4124 L CA 2.192 56.949 54.840 -0.139 0.000 0.744 4124 L CB -1.313 40.660 42.059 -0.143 0.000 0.895 4124 L HN 0.191 nan 8.230 nan 0.000 0.433 4125 A N -0.577 122.066 122.820 -0.295 0.000 1.917 4125 A HA -0.170 4.151 4.320 0.000 0.000 0.219 4125 A C 2.398 179.870 177.584 -0.188 0.000 1.182 4125 A CA 1.958 53.791 52.037 -0.341 0.000 0.633 4125 A CB -1.418 17.131 19.000 -0.751 0.000 0.819 4125 A HN 0.463 nan 8.150 nan 0.000 0.448 4126 G N -0.903 107.805 108.800 -0.154 0.000 2.404 4126 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 4126 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 4126 G C 1.751 176.609 174.900 -0.071 0.000 1.174 4126 G CA 1.020 46.068 45.100 -0.086 0.000 0.780 4126 G HN 0.566 nan 8.290 nan 0.000 0.537 4127 R N 0.015 120.470 120.500 -0.074 0.000 2.092 4127 R HA 0.068 4.408 4.340 0.000 0.000 0.231 4127 R C 2.541 178.806 176.300 -0.059 0.000 1.119 4127 R CA 0.911 56.975 56.100 -0.061 0.000 0.970 4127 R CB -0.314 29.951 30.300 -0.057 0.000 0.864 4127 R HN 0.424 nan 8.270 nan 0.000 0.440 4128 I N 0.729 121.257 120.570 -0.070 0.000 2.208 4128 I HA -0.311 3.859 4.170 0.000 0.000 0.245 4128 I C 2.043 178.132 176.117 -0.047 0.000 1.097 4128 I CA 0.922 62.186 61.300 -0.059 0.000 1.363 4128 I CB -0.211 37.747 38.000 -0.070 0.000 1.051 4128 I HN 0.212 nan 8.210 nan 0.000 0.413 4129 I N 1.026 121.566 120.570 -0.049 0.000 2.179 4129 I HA -0.276 3.894 4.170 0.000 0.000 0.242 4129 I C 2.857 178.954 176.117 -0.033 0.000 1.088 4129 I CA 1.767 63.046 61.300 -0.035 0.000 1.357 4129 I CB -1.529 36.452 38.000 -0.032 0.000 1.051 4129 I HN 0.192 nan 8.210 nan 0.000 0.409 4130 A N 0.280 123.077 122.820 -0.039 0.000 1.933 4130 A HA -0.186 4.134 4.320 0.000 0.000 0.218 4130 A C 2.159 179.721 177.584 -0.036 0.000 1.175 4130 A CA 1.370 53.385 52.037 -0.038 0.000 0.628 4130 A CB -0.413 18.560 19.000 -0.044 0.000 0.814 4130 A HN 0.369 nan 8.150 nan 0.000 0.444 4131 E N -0.460 119.718 120.200 -0.037 0.000 2.106 4131 E HA -0.105 4.245 4.350 0.000 0.000 0.192 4131 E C 2.085 178.668 176.600 -0.029 0.000 0.984 4131 E CA 1.612 57.992 56.400 -0.033 0.000 0.806 4131 E CB -0.654 29.026 29.700 -0.034 0.000 0.750 4131 E HN 0.601 nan 8.360 nan 0.000 0.458 4132 T N 1.046 115.584 114.554 -0.027 0.000 2.770 4132 T HA -0.091 4.259 4.350 0.000 0.000 0.263 4132 T C 2.124 176.811 174.700 -0.020 0.000 1.039 4132 T CA 1.637 63.724 62.100 -0.022 0.000 1.142 4132 T CB -0.110 68.747 68.868 -0.018 0.000 0.868 4132 T HN 0.200 nan 8.240 nan 0.000 0.435 4133 V N 1.878 121.779 119.914 -0.022 0.000 2.788 4133 V HA 0.050 4.170 4.120 0.000 0.000 0.251 4133 V C 2.345 178.425 176.094 -0.023 0.000 1.068 4133 V CA 1.124 63.412 62.300 -0.020 0.000 1.090 4133 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 4133 V HN 0.464 nan 8.190 nan 0.000 0.467 4134 R N 2.719 123.202 120.500 -0.028 0.000 2.193 4134 R HA -0.078 4.262 4.340 0.000 0.000 0.229 4134 R C 2.009 178.291 176.300 -0.030 0.000 1.110 4134 R CA 1.666 57.747 56.100 -0.031 0.000 0.988 4134 R CB -1.064 29.215 30.300 -0.035 0.000 0.871 4134 R HN 0.681 nan 8.270 nan 0.000 0.458 4135 S N 0.185 115.868 115.700 -0.027 0.000 2.555 4135 S HA -0.077 4.393 4.470 0.000 0.000 0.230 4135 S C 1.692 176.277 174.600 -0.026 0.000 0.978 4135 S CA 0.784 58.968 58.200 -0.027 0.000 0.934 4135 S CB 0.063 63.248 63.200 -0.024 0.000 0.766 4135 S HN 0.588 nan 8.310 nan 0.000 0.533 4136 T N -1.170 113.370 114.554 -0.024 0.000 3.014 4136 T HA 0.328 4.678 4.350 0.000 0.000 0.250 4136 T C 0.391 175.076 174.700 -0.024 0.000 1.060 4136 T CA -0.452 61.636 62.100 -0.021 0.000 1.040 4136 T CB -0.437 68.422 68.868 -0.015 0.000 0.971 4136 T HN 0.266 nan 8.240 nan 0.000 0.497 4137 L N 2.759 123.966 121.223 -0.028 0.000 2.410 4137 L HA 0.557 4.897 4.340 0.000 0.000 0.273 4137 L C 0.635 177.481 176.870 -0.040 0.000 1.152 4137 L CA 1.556 56.378 54.840 -0.030 0.000 0.855 4137 L CB -0.370 41.670 42.059 -0.031 0.000 1.129 4137 L HN 0.735 nan 8.230 nan 0.000 0.463 4138 G N 3.939 112.715 108.800 -0.040 0.000 2.662 4138 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 4138 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 4138 G C -2.146 172.707 174.900 -0.079 0.000 1.271 4138 G CA -0.459 44.603 45.100 -0.062 0.000 0.816 4138 G HN 0.488 nan 8.290 nan 0.000 0.608 4139 P HA -0.024 nan 4.420 nan 0.000 0.217 4139 P C 1.444 178.652 177.300 -0.154 0.000 1.148 4139 P CA 1.491 64.479 63.100 -0.187 0.000 0.828 4139 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 4140 K N -1.010 119.300 120.400 -0.150 0.000 2.410 4140 K HA 0.243 4.563 4.320 0.000 0.000 0.200 4140 K C 1.036 177.595 176.600 -0.069 0.000 1.023 4140 K CA -0.182 56.042 56.287 -0.105 0.000 1.149 4140 K CB -0.129 32.304 32.500 -0.111 0.000 0.859 4140 K HN 0.040 nan 8.250 nan 0.000 0.514 4141 G N 0.534 109.297 108.800 -0.061 0.000 2.527 4141 G HA2 0.199 4.159 3.960 0.000 0.000 0.248 4141 G HA3 0.199 4.159 3.960 0.000 0.000 0.248 4141 G C -0.019 174.862 174.900 -0.031 0.000 1.231 4141 G CA -0.420 44.655 45.100 -0.042 0.000 0.838 4141 G HN -0.054 nan 8.290 nan 0.000 0.570 4142 M N 0.157 119.741 119.600 -0.026 0.000 2.531 4142 M HA 0.427 4.907 4.480 0.000 0.000 0.262 4142 M C -0.607 175.684 176.300 -0.015 0.000 1.168 4142 M CA -0.546 54.742 55.300 -0.020 0.000 0.926 4142 M CB 1.383 33.971 32.600 -0.021 0.000 1.445 4142 M HN 0.351 nan 8.290 nan 0.000 0.531 4143 D N 0.330 120.722 120.400 -0.013 0.000 2.374 4143 D HA 0.505 5.145 4.640 0.000 0.000 0.239 4143 D C -0.624 175.669 176.300 -0.011 0.000 0.991 4143 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 4143 D CB 1.383 42.179 40.800 -0.005 0.000 1.284 4143 D HN 0.100 nan 8.370 nan 0.000 0.512 4144 K N 0.680 121.076 120.400 -0.007 0.000 2.259 4144 K HA 0.503 4.823 4.320 0.000 0.000 0.249 4144 K C -0.679 175.917 176.600 -0.007 0.000 0.942 4144 K CA -0.669 55.613 56.287 -0.007 0.000 0.816 4144 K CB 2.320 34.818 32.500 -0.004 0.000 1.155 4144 K HN 0.438 nan 8.250 nan 0.000 0.428 4145 M N 3.622 123.215 119.600 -0.012 0.000 2.046 4145 M HA 0.287 4.768 4.480 0.000 0.000 0.309 4145 M C -1.683 174.615 176.300 -0.004 0.000 0.935 4145 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 4145 M CB 0.532 33.111 32.600 -0.035 0.000 1.474 4145 M HN 0.348 nan 8.290 nan 0.000 0.415 4146 L N 5.998 127.226 121.223 0.009 0.000 2.280 4146 L HA 0.529 4.869 4.340 0.000 0.000 0.287 4146 L C -0.859 176.024 176.870 0.021 0.000 1.023 4146 L CA -0.332 54.516 54.840 0.013 0.000 0.819 4146 L CB 1.758 43.827 42.059 0.016 0.000 1.212 4146 L HN 0.408 nan 8.230 nan 0.000 0.420 4147 V N 2.827 122.750 119.914 0.015 0.000 2.378 4147 V HA 0.343 4.463 4.120 0.000 0.000 0.288 4147 V C -0.151 175.953 176.094 0.017 0.000 1.016 4147 V CA -0.959 61.353 62.300 0.019 0.000 0.840 4147 V CB 1.396 33.226 31.823 0.013 0.000 0.994 4147 V HN 0.798 nan 8.190 nan 0.000 0.431 4148 D N 3.554 123.966 120.400 0.021 0.000 2.380 4148 D HA -0.007 4.633 4.640 0.000 0.000 0.254 4148 D C 1.042 177.350 176.300 0.014 0.000 1.288 4148 D CA -0.218 53.792 54.000 0.017 0.000 1.008 4148 D CB 0.480 41.290 40.800 0.017 0.000 1.099 4148 D HN 0.562 nan 8.370 nan 0.000 0.537 4149 D N -0.887 119.521 120.400 0.012 0.000 2.371 4149 D HA -0.121 4.519 4.640 0.000 0.000 0.221 4149 D C 1.596 177.902 176.300 0.011 0.000 0.986 4149 D CA 0.493 54.499 54.000 0.011 0.000 0.899 4149 D CB -0.166 40.640 40.800 0.010 0.000 0.902 4149 D HN 0.389 nan 8.370 nan 0.000 0.530 4150 L N -0.941 120.289 121.223 0.012 0.000 2.590 4150 L HA 0.322 4.662 4.340 0.000 0.000 0.227 4150 L C 1.748 178.627 176.870 0.015 0.000 1.099 4150 L CA 0.494 55.341 54.840 0.012 0.000 0.872 4150 L CB 0.339 42.405 42.059 0.012 0.000 1.088 4150 L HN 0.287 nan 8.230 nan 0.000 0.479 4151 G N -0.231 108.579 108.800 0.017 0.000 2.201 4151 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 4151 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 4151 G C 0.061 174.979 174.900 0.030 0.000 0.994 4151 G CA -0.063 45.049 45.100 0.020 0.000 0.644 4151 G HN 0.305 nan 8.290 nan 0.000 0.508 4152 D N 1.279 121.698 120.400 0.032 0.000 2.434 4152 D HA 0.376 5.016 4.640 0.000 0.000 0.252 4152 D C 0.522 176.859 176.300 0.062 0.000 1.185 4152 D CA 0.240 54.267 54.000 0.044 0.000 0.886 4152 D CB 1.088 41.906 40.800 0.031 0.000 1.148 4152 D HN 0.230 nan 8.370 nan 0.000 0.483 4153 V N 4.882 124.860 119.914 0.107 0.000 2.370 4153 V HA 0.261 4.381 4.120 0.000 0.000 0.279 4153 V C 0.229 176.465 176.094 0.237 0.000 1.029 4153 V CA -0.834 61.546 62.300 0.134 0.000 0.870 4153 V CB 1.619 33.504 31.823 0.103 0.000 0.984 4153 V HN 0.327 nan 8.190 nan 0.000 0.451 4154 V N 6.016 126.011 119.914 0.134 0.000 2.357 4154 V HA 0.423 4.543 4.120 0.000 0.000 0.284 4154 V C -0.162 175.996 176.094 0.107 0.000 1.018 4154 V CA -0.507 61.875 62.300 0.137 0.000 0.841 4154 V CB 1.802 33.668 31.823 0.071 0.000 0.991 4154 V HN 0.606 nan 8.190 nan 0.000 0.437 4155 V N 4.670 124.688 119.914 0.173 0.000 2.350 4155 V HA 0.710 4.830 4.120 0.000 0.000 0.285 4155 V C 0.074 176.217 176.094 0.083 0.000 1.014 4155 V CA 0.027 62.372 62.300 0.075 0.000 0.831 4155 V CB 1.553 33.366 31.823 -0.017 0.000 1.000 4155 V HN 0.979 nan 8.190 nan 0.000 0.433 4156 T N 2.718 117.297 114.554 0.043 0.000 2.792 4156 T HA 0.334 4.684 4.350 0.000 0.000 0.303 4156 T C 0.151 174.861 174.700 0.017 0.000 1.310 4156 T CA -0.342 61.779 62.100 0.034 0.000 1.007 4156 T CB 2.141 71.028 68.868 0.032 0.000 1.335 4156 T HN 0.560 nan 8.240 nan 0.000 0.504 4157 N N 0.282 118.991 118.700 0.014 0.000 2.257 4157 N HA 0.118 4.858 4.740 0.000 0.000 0.200 4157 N C -0.806 174.707 175.510 0.004 0.000 1.163 4157 N CA 0.083 53.136 53.050 0.006 0.000 0.891 4157 N CB 0.463 38.953 38.487 0.005 0.000 1.067 4157 N HN 0.610 nan 8.380 nan 0.000 0.497 4158 D N -0.006 120.398 120.400 0.008 0.000 2.434 4158 D HA 0.157 4.797 4.640 0.000 0.000 0.252 4158 D C 1.369 177.671 176.300 0.003 0.000 1.185 4158 D CA 0.211 54.215 54.000 0.005 0.000 0.886 4158 D CB 1.115 41.919 40.800 0.008 0.000 1.148 4158 D HN 0.251 nan 8.370 nan 0.000 0.483 4159 G N 1.627 110.426 108.800 -0.001 0.000 2.421 4159 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 4159 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 4159 G C 1.537 176.436 174.900 -0.001 0.000 1.171 4159 G CA 0.327 45.425 45.100 -0.003 0.000 0.775 4159 G HN 0.461 nan 8.290 nan 0.000 0.543 4160 V N 0.827 120.741 119.914 0.000 0.000 2.490 4160 V HA -0.129 3.991 4.120 0.000 0.000 0.250 4160 V C 2.925 179.022 176.094 0.005 0.000 1.061 4160 V CA 2.878 65.180 62.300 0.002 0.000 1.064 4160 V CB -0.616 31.209 31.823 0.002 0.000 0.670 4160 V HN 0.403 nan 8.190 nan 0.000 0.461 4161 T N 0.539 115.097 114.554 0.006 0.000 2.812 4161 T HA -0.046 4.304 4.350 0.000 0.000 0.264 4161 T C 1.759 176.465 174.700 0.009 0.000 1.042 4161 T CA 1.914 64.019 62.100 0.008 0.000 1.140 4161 T CB -0.262 68.612 68.868 0.010 0.000 0.870 4161 T HN 0.474 nan 8.240 nan 0.000 0.445 4162 I N 0.653 121.227 120.570 0.008 0.000 2.264 4162 I HA -0.150 4.020 4.170 0.000 0.000 0.248 4162 I C 2.016 178.136 176.117 0.007 0.000 1.111 4162 I CA 0.918 62.222 61.300 0.007 0.000 1.382 4162 I CB -0.273 37.730 38.000 0.003 0.000 1.060 4162 I HN 0.163 nan 8.210 nan 0.000 0.418 4163 L N 0.230 121.456 121.223 0.005 0.000 2.156 4163 L HA -0.101 4.239 4.340 0.000 0.000 0.208 4163 L C 2.523 179.399 176.870 0.009 0.000 1.095 4163 L CA 1.618 56.462 54.840 0.006 0.000 0.770 4163 L CB -0.766 41.296 42.059 0.004 0.000 0.914 4163 L HN 0.095 nan 8.230 nan 0.000 0.439 4164 R N -0.853 119.653 120.500 0.009 0.000 2.075 4164 R HA -0.097 4.243 4.340 0.000 0.000 0.232 4164 R C 2.033 178.340 176.300 0.011 0.000 1.126 4164 R CA 0.954 57.060 56.100 0.010 0.000 0.963 4164 R CB -0.110 30.195 30.300 0.009 0.000 0.858 4164 R HN 0.319 nan 8.270 nan 0.000 0.435 4165 E N 0.875 121.082 120.200 0.012 0.000 2.086 4165 E HA -0.060 4.290 4.350 0.000 0.000 0.190 4165 E C 1.222 177.830 176.600 0.013 0.000 0.975 4165 E CA 0.502 56.910 56.400 0.013 0.000 0.813 4165 E CB -0.124 29.585 29.700 0.015 0.000 0.768 4165 E HN 0.355 nan 8.360 nan 0.000 0.457 4166 M N -0.037 119.570 119.600 0.012 0.000 2.240 4166 M HA 0.091 4.571 4.480 0.000 0.000 0.317 4166 M C 0.509 176.818 176.300 0.014 0.000 1.087 4166 M CA 0.356 55.663 55.300 0.012 0.000 1.176 4166 M CB 0.542 33.148 32.600 0.010 0.000 1.439 4166 M HN -0.257 nan 8.290 nan 0.000 0.452 4167 S N 2.208 117.917 115.700 0.015 0.000 2.473 4167 S HA 0.439 4.909 4.470 0.000 0.000 0.312 4167 S C -0.729 173.885 174.600 0.023 0.000 1.087 4167 S CA -0.790 57.421 58.200 0.018 0.000 1.077 4167 S CB -0.283 62.927 63.200 0.017 0.000 1.065 4167 S HN 0.516 nan 8.310 nan 0.000 0.510 4168 V N 5.666 125.596 119.914 0.027 0.000 2.439 4168 V HA 0.399 4.519 4.120 0.000 0.000 0.282 4168 V C 0.721 176.843 176.094 0.047 0.000 1.039 4168 V CA -0.379 61.944 62.300 0.038 0.000 0.913 4168 V CB 1.637 33.483 31.823 0.038 0.000 0.983 4168 V HN 0.778 nan 8.190 nan 0.000 0.460 4169 E N 1.088 121.327 120.200 0.065 0.000 2.256 4169 E HA 0.084 4.434 4.350 0.000 0.000 0.198 4169 E C 0.727 177.376 176.600 0.082 0.000 0.908 4169 E CA 0.072 56.510 56.400 0.062 0.000 0.915 4169 E CB -0.001 29.734 29.700 0.058 0.000 0.890 4169 E HN 0.692 nan 8.360 nan 0.000 0.484 4170 H N 2.796 121.883 119.070 0.028 0.000 2.886 4170 H HA 0.024 4.580 4.556 0.000 0.000 0.329 4170 H C -1.713 173.632 175.328 0.027 0.000 1.044 4170 H CA -1.267 54.800 56.048 0.033 0.000 1.456 4170 H CB 1.446 31.212 29.762 0.007 0.000 1.464 4170 H HN -0.190 nan 8.280 nan 0.000 0.573 4171 P HA -0.125 nan 4.420 nan 0.000 0.218 4171 P C 1.050 178.468 177.300 0.197 0.000 1.148 4171 P CA 1.941 65.096 63.100 0.091 0.000 0.822 4171 P CB 0.146 31.848 31.700 0.004 0.000 0.784 4172 A N 0.004 123.083 122.820 0.431 0.000 1.898 4172 A HA -0.044 4.276 4.320 0.000 0.000 0.216 4172 A C 2.315 179.949 177.584 0.084 0.000 1.181 4172 A CA 1.882 54.042 52.037 0.204 0.000 0.620 4172 A CB -1.539 17.512 19.000 0.086 0.000 0.819 4172 A HN 0.187 nan 8.150 nan 0.000 0.442 4173 A N -0.118 122.750 122.820 0.080 0.000 1.972 4173 A HA -0.136 4.184 4.320 0.000 0.000 0.219 4173 A C 2.071 179.682 177.584 0.045 0.000 1.169 4173 A CA 1.727 53.782 52.037 0.029 0.000 0.635 4173 A CB -0.389 18.624 19.000 0.022 0.000 0.810 4173 A HN 0.546 nan 8.150 nan 0.000 0.446 4174 K N -0.975 119.467 120.400 0.070 0.000 2.097 4174 K HA -0.057 4.263 4.320 0.000 0.000 0.205 4174 K C 1.888 178.513 176.600 0.041 0.000 1.050 4174 K CA 1.338 57.655 56.287 0.051 0.000 0.938 4174 K CB -0.206 32.326 32.500 0.053 0.000 0.718 4174 K HN 0.357 nan 8.250 nan 0.000 0.442 4175 M N 0.592 120.221 119.600 0.048 0.000 2.254 4175 M HA -0.066 4.414 4.480 0.000 0.000 0.265 4175 M C 2.150 178.466 176.300 0.026 0.000 1.066 4175 M CA 1.130 56.452 55.300 0.037 0.000 1.123 4175 M CB -0.654 31.972 32.600 0.043 0.000 1.388 4175 M HN 0.204 nan 8.290 nan 0.000 0.425 4176 L N 0.108 121.344 121.223 0.021 0.000 2.083 4176 L HA -0.201 4.139 4.340 0.000 0.000 0.209 4176 L C 2.215 179.090 176.870 0.009 0.000 1.083 4176 L CA 1.037 55.883 54.840 0.010 0.000 0.752 4176 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 4176 L HN 0.189 nan 8.230 nan 0.000 0.433 4177 I N -0.449 120.129 120.570 0.013 0.000 2.286 4177 I HA -0.283 3.887 4.170 0.000 0.000 0.248 4177 I C 2.438 178.562 176.117 0.012 0.000 1.115 4177 I CA 1.005 62.313 61.300 0.012 0.000 1.392 4177 I CB -0.318 37.691 38.000 0.015 0.000 1.065 4177 I HN 0.277 nan 8.210 nan 0.000 0.418 4178 E N 0.471 120.680 120.200 0.015 0.000 2.110 4178 E HA -0.156 4.194 4.350 0.000 0.000 0.193 4178 E C 2.431 179.038 176.600 0.012 0.000 0.988 4178 E CA 1.110 57.518 56.400 0.014 0.000 0.804 4178 E CB -0.273 29.437 29.700 0.018 0.000 0.745 4178 E HN 0.357 nan 8.360 nan 0.000 0.458 4179 V N 1.538 121.460 119.914 0.012 0.000 2.358 4179 V HA -0.232 3.888 4.120 0.000 0.000 0.246 4179 V C 2.463 178.560 176.094 0.006 0.000 1.047 4179 V CA 1.773 64.079 62.300 0.010 0.000 1.035 4179 V CB -0.820 31.008 31.823 0.009 0.000 0.658 4179 V HN 0.242 nan 8.190 nan 0.000 0.452 4180 A N -0.354 122.469 122.820 0.004 0.000 1.933 4180 A HA -0.217 4.103 4.320 0.000 0.000 0.218 4180 A C 2.284 179.870 177.584 0.004 0.000 1.175 4180 A CA 1.802 53.840 52.037 0.002 0.000 0.628 4180 A CB -0.396 18.604 19.000 0.001 0.000 0.814 4180 A HN 0.543 nan 8.150 nan 0.000 0.444 4181 K N -0.940 119.463 120.400 0.006 0.000 2.148 4181 K HA -0.062 4.258 4.320 0.000 0.000 0.204 4181 K C 1.987 178.591 176.600 0.005 0.000 1.050 4181 K CA 1.515 57.805 56.287 0.006 0.000 0.942 4181 K CB -0.277 32.227 32.500 0.007 0.000 0.724 4181 K HN 0.451 nan 8.250 nan 0.000 0.446 4182 T N 1.420 115.978 114.554 0.006 0.000 2.777 4182 T HA -0.115 4.235 4.350 0.000 0.000 0.266 4182 T C 1.810 176.513 174.700 0.005 0.000 1.040 4182 T CA 1.006 63.110 62.100 0.006 0.000 1.141 4182 T CB -0.032 68.841 68.868 0.008 0.000 0.868 4182 T HN 0.158 nan 8.240 nan 0.000 0.444 4183 Q N 0.744 120.547 119.800 0.004 0.000 2.124 4183 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 4183 Q C 2.349 178.350 176.000 0.002 0.000 0.977 4183 Q CA 1.322 57.127 55.803 0.002 0.000 0.850 4183 Q CB -0.408 28.330 28.738 0.000 0.000 0.901 4183 Q HN 0.553 nan 8.270 nan 0.000 0.429 4184 E N 1.372 121.573 120.200 0.002 0.000 2.051 4184 E HA -0.172 4.178 4.350 0.000 0.000 0.192 4184 E C 1.899 178.500 176.600 0.002 0.000 0.991 4184 E CA 1.388 57.789 56.400 0.002 0.000 0.799 4184 E CB -0.077 29.624 29.700 0.002 0.000 0.748 4184 E HN 0.054 nan 8.360 nan 0.000 0.449 4185 K N 0.056 120.458 120.400 0.002 0.000 2.057 4185 K HA -0.147 4.173 4.320 0.000 0.000 0.206 4185 K C 1.786 178.387 176.600 0.001 0.000 1.050 4185 K CA 1.379 57.667 56.287 0.002 0.000 0.935 4185 K CB 0.008 32.510 32.500 0.002 0.000 0.715 4185 K HN 0.155 nan 8.250 nan 0.000 0.439 4186 E N 0.069 120.270 120.200 0.002 0.000 2.033 4186 E HA -0.094 4.256 4.350 0.000 0.000 0.189 4186 E C 1.994 178.594 176.600 0.001 0.000 0.979 4186 E CA 1.684 58.085 56.400 0.002 0.000 0.802 4186 E CB 0.150 29.851 29.700 0.003 0.000 0.763 4186 E HN 0.340 nan 8.360 nan 0.000 0.449 4187 V N -4.821 115.094 119.914 0.001 0.000 3.562 4187 V HA 0.520 4.640 4.120 0.000 0.000 0.270 4187 V C 1.389 177.484 176.094 0.001 0.000 1.418 4187 V CA 0.856 63.157 62.300 0.001 0.000 1.033 4187 V CB 0.646 32.471 31.823 0.002 0.000 0.820 4187 V HN 0.301 nan 8.190 nan 0.000 0.441 4188 G N 0.762 109.562 108.800 0.001 0.000 4.365 4188 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 4188 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 4188 G C 0.161 175.063 174.900 0.002 0.000 1.450 4188 G CA 0.506 45.606 45.100 0.001 0.000 0.937 4188 G HN 0.627 nan 8.290 nan 0.000 0.625 4189 D N 1.168 121.569 120.400 0.003 0.000 2.506 4189 D HA 0.485 5.125 4.640 0.000 0.000 0.272 4189 D C 1.556 177.857 176.300 0.001 0.000 1.214 4189 D CA 1.171 55.172 54.000 0.003 0.000 1.067 4189 D CB 0.657 41.460 40.800 0.006 0.000 1.117 4189 D HN 1.621 nan 8.370 nan 0.000 0.578 4190 G N -0.495 108.304 108.800 -0.000 0.000 2.162 4190 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 4190 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 4190 G C 1.091 175.987 174.900 -0.007 0.000 0.976 4190 G CA 1.635 46.733 45.100 -0.004 0.000 0.655 4190 G HN 0.614 nan 8.290 nan 0.000 0.533 4191 T N -2.488 112.062 114.554 -0.006 0.000 2.674 4191 T HA -0.121 4.229 4.350 0.000 0.000 0.265 4191 T C 2.241 176.934 174.700 -0.012 0.000 1.039 4191 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 4191 T CB -0.809 68.056 68.868 -0.004 0.000 0.864 4191 T HN 0.355 nan 8.240 nan 0.000 0.427 4192 T N 2.448 116.995 114.554 -0.012 0.000 2.720 4192 T HA -0.127 4.223 4.350 0.000 0.000 0.268 4192 T C 2.435 177.121 174.700 -0.025 0.000 1.037 4192 T CA 2.148 64.237 62.100 -0.018 0.000 1.144 4192 T CB -1.041 67.817 68.868 -0.016 0.000 0.864 4192 T HN 0.843 nan 8.240 nan 0.000 0.444 4193 T N 0.769 115.308 114.554 -0.024 0.000 2.867 4193 T HA 0.099 4.449 4.350 0.000 0.000 0.268 4193 T C 2.245 176.922 174.700 -0.039 0.000 1.057 4193 T CA 1.019 63.100 62.100 -0.033 0.000 1.136 4193 T CB -0.495 68.357 68.868 -0.028 0.000 0.874 4193 T HN 0.335 nan 8.240 nan 0.000 0.466 4194 A N 1.083 123.885 122.820 -0.030 0.000 1.898 4194 A HA 0.128 4.449 4.320 0.000 0.000 0.216 4194 A C 2.606 180.169 177.584 -0.035 0.000 1.181 4194 A CA 1.472 53.491 52.037 -0.031 0.000 0.620 4194 A CB -0.959 18.031 19.000 -0.018 0.000 0.819 4194 A HN 0.426 nan 8.150 nan 0.000 0.442 4195 V N -0.544 119.351 119.914 -0.031 0.000 2.358 4195 V HA -0.191 3.929 4.120 0.000 0.000 0.246 4195 V C 2.547 178.615 176.094 -0.044 0.000 1.047 4195 V CA 1.845 64.126 62.300 -0.032 0.000 1.035 4195 V CB -0.721 31.087 31.823 -0.025 0.000 0.658 4195 V HN 0.353 nan 8.190 nan 0.000 0.452 4196 V N -0.568 119.318 119.914 -0.047 0.000 2.307 4196 V HA -0.196 3.924 4.120 0.000 0.000 0.245 4196 V C 2.449 178.499 176.094 -0.074 0.000 1.045 4196 V CA 2.048 64.315 62.300 -0.055 0.000 1.024 4196 V CB -0.256 31.536 31.823 -0.051 0.000 0.651 4196 V HN 0.415 nan 8.190 nan 0.000 0.449 4197 V N -0.005 119.857 119.914 -0.086 0.000 2.515 4197 V HA -0.168 3.952 4.120 0.000 0.000 0.250 4197 V C 2.504 178.513 176.094 -0.142 0.000 1.058 4197 V CA 1.957 64.182 62.300 -0.126 0.000 1.064 4197 V CB -0.208 31.532 31.823 -0.138 0.000 0.675 4197 V HN 0.521 nan 8.190 nan 0.000 0.461 4198 A N -0.225 122.535 122.820 -0.100 0.000 1.929 4198 A HA 0.037 4.357 4.320 0.000 0.000 0.216 4198 A C 2.325 179.868 177.584 -0.067 0.000 1.176 4198 A CA 1.582 53.571 52.037 -0.080 0.000 0.628 4198 A CB -1.131 17.842 19.000 -0.046 0.000 0.816 4198 A HN 0.586 nan 8.150 nan 0.000 0.444 4199 G N -0.369 108.393 108.800 -0.064 0.000 2.418 4199 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 4199 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 4199 G C 1.472 176.337 174.900 -0.059 0.000 1.158 4199 G CA 1.310 46.377 45.100 -0.055 0.000 0.771 4199 G HN 0.555 nan 8.290 nan 0.000 0.545 4200 E N -0.039 120.115 120.200 -0.077 0.000 2.107 4200 E HA -0.034 4.316 4.350 0.000 0.000 0.191 4200 E C 2.279 178.825 176.600 -0.090 0.000 0.982 4200 E CA 0.384 56.734 56.400 -0.082 0.000 0.809 4200 E CB -0.395 29.244 29.700 -0.101 0.000 0.756 4200 E HN 0.251 nan 8.360 nan 0.000 0.459 4201 L N 0.156 121.300 121.223 -0.131 0.000 2.083 4201 L HA -0.087 4.253 4.340 0.000 0.000 0.209 4201 L C 1.996 178.862 176.870 -0.007 0.000 1.083 4201 L CA 1.597 56.338 54.840 -0.165 0.000 0.752 4201 L CB -0.370 41.539 42.059 -0.251 0.000 0.899 4201 L HN 0.262 nan 8.230 nan 0.000 0.433 4202 L N -1.184 120.043 121.223 0.005 0.000 2.109 4202 L HA -0.151 4.189 4.340 0.000 0.000 0.207 4202 L C 2.690 179.578 176.870 0.029 0.000 1.086 4202 L CA 1.013 55.878 54.840 0.041 0.000 0.760 4202 L CB -0.483 41.580 42.059 0.007 0.000 0.910 4202 L HN 0.242 nan 8.230 nan 0.000 0.437 4203 R N 0.716 121.216 120.500 -0.000 0.000 2.091 4203 R HA -0.145 4.195 4.340 0.000 0.000 0.238 4203 R C 2.199 178.510 176.300 0.020 0.000 1.136 4203 R CA 1.478 57.577 56.100 -0.003 0.000 0.959 4203 R CB -0.115 30.172 30.300 -0.022 0.000 0.856 4203 R HN 0.068 nan 8.270 nan 0.000 0.437 4204 K N -0.088 120.333 120.400 0.035 0.000 2.155 4204 K HA 0.083 4.403 4.320 0.000 0.000 0.203 4204 K C 1.921 178.605 176.600 0.139 0.000 1.052 4204 K CA 1.124 57.456 56.287 0.074 0.000 0.948 4204 K CB -0.220 32.319 32.500 0.065 0.000 0.728 4204 K HN 0.291 nan 8.250 nan 0.000 0.448 4205 A N 1.445 124.374 122.820 0.182 0.000 1.933 4205 A HA -0.190 4.130 4.320 0.000 0.000 0.218 4205 A C 2.128 179.747 177.584 0.058 0.000 1.175 4205 A CA 1.616 53.748 52.037 0.158 0.000 0.628 4205 A CB -0.351 18.768 19.000 0.197 0.000 0.814 4205 A HN 0.420 nan 8.150 nan 0.000 0.444 4206 E N -0.409 119.817 120.200 0.042 0.000 2.106 4206 E HA -0.195 4.155 4.350 0.000 0.000 0.192 4206 E C 1.739 178.346 176.600 0.012 0.000 0.984 4206 E CA 1.028 57.437 56.400 0.014 0.000 0.806 4206 E CB -0.035 29.666 29.700 0.003 0.000 0.750 4206 E HN 0.524 nan 8.360 nan 0.000 0.458 4207 E N 0.502 120.717 120.200 0.024 0.000 2.110 4207 E HA -0.172 4.178 4.350 0.000 0.000 0.193 4207 E C 2.243 178.854 176.600 0.019 0.000 0.988 4207 E CA 0.732 57.145 56.400 0.021 0.000 0.804 4207 E CB -0.144 29.573 29.700 0.029 0.000 0.745 4207 E HN 0.403 nan 8.360 nan 0.000 0.458 4208 L N 0.061 121.300 121.223 0.026 0.000 2.093 4208 L HA -0.163 4.177 4.340 0.000 0.000 0.208 4208 L C 2.293 179.157 176.870 -0.010 0.000 1.085 4208 L CA 0.361 55.207 54.840 0.010 0.000 0.755 4208 L CB -0.283 41.776 42.059 0.000 0.000 0.904 4208 L HN 0.120 nan 8.230 nan 0.000 0.435 4209 L N -0.183 121.032 121.223 -0.014 0.000 2.141 4209 L HA -0.208 4.132 4.340 0.000 0.000 0.209 4209 L C 2.071 178.931 176.870 -0.017 0.000 1.094 4209 L CA 1.665 56.490 54.840 -0.025 0.000 0.763 4209 L CB -0.801 41.242 42.059 -0.027 0.000 0.908 4209 L HN 0.225 nan 8.230 nan 0.000 0.437 4210 D N -1.367 119.029 120.400 -0.007 0.000 2.178 4210 D HA -0.169 4.471 4.640 0.000 0.000 0.202 4210 D C 1.900 178.199 176.300 -0.002 0.000 0.974 4210 D CA 0.756 54.754 54.000 -0.004 0.000 0.841 4210 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 4210 D HN 0.218 nan 8.370 nan 0.000 0.478 4211 Q N 0.031 119.831 119.800 -0.000 0.000 2.444 4211 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 4211 Q C 0.035 176.035 176.000 0.001 0.000 0.948 4211 Q CA 0.209 56.013 55.803 0.002 0.000 0.946 4211 Q CB 0.149 28.891 28.738 0.007 0.000 1.027 4211 Q HN 0.363 nan 8.270 nan 0.000 0.513 4212 N N -0.211 118.486 118.700 -0.005 0.000 2.780 4212 N HA -0.135 4.605 4.740 0.000 0.000 0.248 4212 N C -0.904 174.608 175.510 0.002 0.000 1.102 4212 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 4212 N CB -1.768 36.720 38.487 0.003 0.000 1.028 4212 N HN 0.007 nan 8.380 nan 0.000 0.554 4213 V N 1.770 121.680 119.914 -0.006 0.000 2.408 4213 V HA 0.062 4.182 4.120 0.000 0.000 0.267 4213 V C 1.132 177.223 176.094 -0.004 0.000 1.047 4213 V CA -0.569 61.733 62.300 0.003 0.000 0.937 4213 V CB 1.126 32.941 31.823 -0.013 0.000 0.999 4213 V HN 0.287 nan 8.190 nan 0.000 0.472 4214 H N 8.312 127.360 119.070 -0.036 0.000 3.001 4214 H HA 0.026 4.582 4.556 0.000 0.000 0.334 4214 H C -1.666 173.632 175.328 -0.051 0.000 1.034 4214 H CA -1.129 54.899 56.048 -0.035 0.000 1.420 4214 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 4214 H HN 0.383 nan 8.280 nan 0.000 0.593 4215 P HA -0.187 nan 4.420 nan 0.000 0.217 4215 P C 1.413 178.738 177.300 0.041 0.000 1.148 4215 P CA 2.557 65.592 63.100 -0.109 0.000 0.834 4215 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 4216 T N -4.119 110.604 114.554 0.282 0.000 3.023 4216 T HA 0.001 4.351 4.350 0.000 0.000 0.266 4216 T C 1.752 176.481 174.700 0.047 0.000 1.093 4216 T CA 0.676 62.863 62.100 0.146 0.000 1.129 4216 T CB -1.040 67.896 68.868 0.114 0.000 0.899 4216 T HN 0.059 nan 8.240 nan 0.000 0.491 4217 I N 0.812 121.417 120.570 0.058 0.000 2.333 4217 I HA -0.048 4.122 4.170 0.000 0.000 0.246 4217 I C 2.622 178.685 176.117 -0.090 0.000 1.106 4217 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 4217 I CB -0.331 37.675 38.000 0.010 0.000 1.082 4217 I HN 0.093 nan 8.210 nan 0.000 0.420 4218 V N 1.271 121.096 119.914 -0.148 0.000 2.255 4218 V HA -0.250 3.870 4.120 0.000 0.000 0.247 4218 V C 2.561 178.314 176.094 -0.569 0.000 1.051 4218 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 4218 V CB -0.667 30.940 31.823 -0.361 0.000 0.641 4218 V HN 0.482 nan 8.190 nan 0.000 0.445 4219 V N -1.336 118.405 119.914 -0.289 0.000 2.809 4219 V HA -0.144 3.976 4.120 0.000 0.000 0.256 4219 V C 2.237 178.307 176.094 -0.040 0.000 1.080 4219 V CA 2.135 64.356 62.300 -0.132 0.000 1.102 4219 V CB -0.758 31.053 31.823 -0.021 0.000 0.705 4219 V HN 0.554 nan 8.190 nan 0.000 0.475 4220 K N 1.308 121.674 120.400 -0.057 0.000 2.025 4220 K HA -0.001 4.319 4.320 0.000 0.000 0.207 4220 K C 2.204 178.805 176.600 0.002 0.000 1.049 4220 K CA 1.666 57.942 56.287 -0.018 0.000 0.933 4220 K CB -0.816 31.671 32.500 -0.022 0.000 0.714 4220 K HN 0.525 nan 8.250 nan 0.000 0.438 4221 G N -0.148 108.645 108.800 -0.011 0.000 2.422 4221 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 4221 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 4221 G C 1.144 176.138 174.900 0.157 0.000 1.146 4221 G CA 0.557 45.696 45.100 0.064 0.000 0.769 4221 G HN 0.251 nan 8.290 nan 0.000 0.547 4222 Y N 0.397 120.673 120.300 -0.040 0.000 2.242 4222 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 4222 Y C 2.863 178.606 175.900 -0.260 0.000 1.137 4222 Y CA 1.009 59.037 58.100 -0.121 0.000 1.181 4222 Y CB -0.866 37.656 38.460 0.104 0.000 0.989 4222 Y HN 0.273 nan 8.280 nan 0.000 0.527 4223 Q N 0.311 120.142 119.800 0.052 0.000 2.083 4223 Q HA -0.038 4.302 4.340 0.000 0.000 0.198 4223 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 4223 Q CA 1.689 57.488 55.803 -0.007 0.000 0.838 4223 Q CB -0.473 28.278 28.738 0.021 0.000 0.900 4223 Q HN 0.314 nan 8.270 nan 0.000 0.436 4224 A N 0.365 123.171 122.820 -0.024 0.000 1.877 4224 A HA -0.038 4.282 4.320 0.000 0.000 0.216 4224 A C 2.288 179.843 177.584 -0.050 0.000 1.186 4224 A CA 1.978 54.039 52.037 0.041 0.000 0.620 4224 A CB -1.222 17.873 19.000 0.158 0.000 0.822 4224 A HN 0.505 nan 8.150 nan 0.000 0.443 4225 A N -0.337 122.372 122.820 -0.186 0.000 1.930 4225 A HA 0.216 4.537 4.320 0.000 0.000 0.217 4225 A C 2.461 179.668 177.584 -0.628 0.000 1.175 4225 A CA 1.924 53.708 52.037 -0.421 0.000 0.627 4225 A CB -0.891 17.730 19.000 -0.631 0.000 0.815 4225 A HN 1.025 nan 8.150 nan 0.000 0.443 4226 A N -1.127 121.255 122.820 -0.730 0.000 1.930 4226 A HA -0.142 4.178 4.320 0.000 0.000 0.217 4226 A C 2.119 179.600 177.584 -0.172 0.000 1.175 4226 A CA 1.521 53.344 52.037 -0.357 0.000 0.627 4226 A CB -0.396 18.480 19.000 -0.207 0.000 0.815 4226 A HN 0.477 nan 8.150 nan 0.000 0.443 4227 Q N -0.295 119.402 119.800 -0.172 0.000 2.084 4227 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 4227 Q C 2.053 177.956 176.000 -0.163 0.000 0.978 4227 Q CA 1.868 57.598 55.803 -0.123 0.000 0.844 4227 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 4227 Q HN 0.613 nan 8.270 nan 0.000 0.426 4228 K N 0.979 121.211 120.400 -0.280 0.000 2.097 4228 K HA 0.011 4.332 4.320 0.000 0.000 0.205 4228 K C 1.833 178.306 176.600 -0.210 0.000 1.050 4228 K CA 1.206 57.279 56.287 -0.357 0.000 0.938 4228 K CB -0.448 31.578 32.500 -0.790 0.000 0.718 4228 K HN 0.122 nan 8.250 nan 0.000 0.442 4229 A N 0.618 123.345 122.820 -0.155 0.000 1.933 4229 A HA -0.211 4.110 4.320 0.000 0.000 0.218 4229 A C 2.079 179.647 177.584 -0.026 0.000 1.175 4229 A CA 1.693 53.706 52.037 -0.039 0.000 0.628 4229 A CB -0.516 18.525 19.000 0.068 0.000 0.814 4229 A HN 0.510 nan 8.150 nan 0.000 0.444 4230 Q N -0.633 119.144 119.800 -0.039 0.000 2.079 4230 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 4230 Q C 1.980 177.961 176.000 -0.031 0.000 0.974 4230 Q CA 1.602 57.390 55.803 -0.025 0.000 0.840 4230 Q CB -0.179 28.543 28.738 -0.026 0.000 0.898 4230 Q HN 0.774 nan 8.270 nan 0.000 0.430 4231 E N 0.526 120.694 120.200 -0.053 0.000 2.106 4231 E HA -0.157 4.193 4.350 0.000 0.000 0.192 4231 E C 2.045 178.624 176.600 -0.036 0.000 0.984 4231 E CA 0.739 57.110 56.400 -0.048 0.000 0.806 4231 E CB -0.027 29.632 29.700 -0.069 0.000 0.750 4231 E HN 0.307 nan 8.360 nan 0.000 0.458 4232 L N 0.568 121.766 121.223 -0.042 0.000 2.056 4232 L HA -0.192 4.148 4.340 0.000 0.000 0.207 4232 L C 2.436 179.305 176.870 -0.003 0.000 1.078 4232 L CA 0.893 55.721 54.840 -0.020 0.000 0.749 4232 L CB -0.327 41.721 42.059 -0.019 0.000 0.901 4232 L HN 0.169 nan 8.230 nan 0.000 0.433 4233 L N -0.445 120.776 121.223 -0.002 0.000 2.056 4233 L HA -0.205 4.135 4.340 0.000 0.000 0.207 4233 L C 2.598 179.470 176.870 0.003 0.000 1.078 4233 L CA 1.335 56.178 54.840 0.006 0.000 0.749 4233 L CB -0.429 41.634 42.059 0.007 0.000 0.901 4233 L HN 0.206 nan 8.230 nan 0.000 0.433 4234 K N -0.730 119.669 120.400 -0.003 0.000 2.148 4234 K HA -0.098 4.222 4.320 0.000 0.000 0.204 4234 K C 2.051 178.649 176.600 -0.002 0.000 1.050 4234 K CA 1.531 57.816 56.287 -0.003 0.000 0.942 4234 K CB -0.170 32.326 32.500 -0.007 0.000 0.724 4234 K HN 0.276 nan 8.250 nan 0.000 0.446 4235 T N 1.943 116.496 114.554 -0.003 0.000 2.777 4235 T HA -0.072 4.278 4.350 0.000 0.000 0.266 4235 T C 1.860 176.561 174.700 0.003 0.000 1.040 4235 T CA 1.263 63.362 62.100 -0.001 0.000 1.141 4235 T CB -0.127 68.739 68.868 -0.002 0.000 0.868 4235 T HN 0.385 nan 8.240 nan 0.000 0.444 4236 I N -0.324 120.250 120.570 0.008 0.000 3.578 4236 I HA 0.451 4.621 4.170 0.000 0.000 0.295 4236 I C 1.036 177.158 176.117 0.009 0.000 1.280 4236 I CA -0.554 60.753 61.300 0.011 0.000 1.347 4236 I CB -0.458 37.557 38.000 0.024 0.000 1.051 4236 I HN -0.055 nan 8.210 nan 0.000 0.460 4237 A N 1.578 124.402 122.820 0.007 0.000 2.548 4237 A HA 0.101 4.421 4.320 0.000 0.000 0.247 4237 A C 0.161 177.747 177.584 0.004 0.000 1.067 4237 A CA -0.015 52.025 52.037 0.006 0.000 0.757 4237 A CB -0.280 18.722 19.000 0.003 0.000 0.996 4237 A HN 0.642 nan 8.150 nan 0.000 0.504 4238 C N 3.611 122.913 119.300 0.004 0.000 2.265 4238 C HA 0.474 4.934 4.460 0.000 0.000 0.332 4238 C C 0.493 175.484 174.990 0.001 0.000 1.248 4238 C CA -0.585 58.434 59.018 0.002 0.000 1.727 4238 C CB -0.799 26.942 27.740 0.002 0.000 2.348 4238 C HN 0.930 nan 8.230 nan 0.000 0.519 4239 E N 3.841 124.041 120.200 -0.000 0.000 2.316 4239 E HA 0.498 4.848 4.350 0.000 0.000 0.275 4239 E C -0.294 176.305 176.600 -0.001 0.000 1.029 4239 E CA -0.201 56.199 56.400 -0.001 0.000 0.871 4239 E CB 0.860 30.560 29.700 -0.001 0.000 1.022 4239 E HN 0.727 nan 8.360 nan 0.000 0.418 4240 V N 0.975 120.888 119.914 -0.001 0.000 3.102 4240 V HA 0.733 4.853 4.120 0.000 0.000 0.312 4240 V C 0.362 176.455 176.094 -0.002 0.000 1.135 4240 V CA -0.784 61.514 62.300 -0.002 0.000 1.022 4240 V CB 1.533 33.355 31.823 -0.002 0.000 1.056 4240 V HN 0.714 nan 8.190 nan 0.000 0.436 4241 G N 0.520 109.318 108.800 -0.003 0.000 2.343 4241 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 4241 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 4241 G C 0.986 175.884 174.900 -0.003 0.000 1.277 4241 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 4241 G HN 1.658 nan 8.290 nan 0.000 0.502 4242 A N 2.473 125.292 122.820 -0.002 0.000 1.978 4242 A HA -0.099 4.221 4.320 0.000 0.000 0.220 4242 A C 2.068 179.651 177.584 -0.003 0.000 1.170 4242 A CA 1.969 54.005 52.037 -0.002 0.000 0.636 4242 A CB -0.091 18.907 19.000 -0.002 0.000 0.810 4242 A HN 0.764 nan 8.150 nan 0.000 0.448 4243 Q N -0.226 119.572 119.800 -0.002 0.000 2.175 4243 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 4243 Q C -0.413 175.585 176.000 -0.003 0.000 0.837 4243 Q CA 0.165 55.967 55.803 -0.002 0.000 1.032 4243 Q CB -0.678 28.059 28.738 -0.002 0.000 1.137 4243 Q HN 0.430 nan 8.270 nan 0.000 0.483 4244 D N 0.891 121.289 120.400 -0.003 0.000 2.346 4244 D HA 0.044 4.684 4.640 0.000 0.000 0.260 4244 D C 0.997 177.294 176.300 -0.004 0.000 1.252 4244 D CA -0.070 53.928 54.000 -0.003 0.000 0.895 4244 D CB 0.900 41.698 40.800 -0.004 0.000 1.097 4244 D HN 0.078 nan 8.370 nan 0.000 0.489 4245 K N 3.621 124.019 120.400 -0.004 0.000 2.052 4245 K HA -0.304 4.016 4.320 0.000 0.000 0.215 4245 K C 1.553 178.149 176.600 -0.006 0.000 1.053 4245 K CA 2.195 58.479 56.287 -0.005 0.000 0.934 4245 K CB -0.209 32.288 32.500 -0.004 0.000 0.717 4245 K HN 0.677 nan 8.250 nan 0.000 0.450 4246 E N -0.534 119.662 120.200 -0.007 0.000 2.021 4246 E HA -0.227 4.123 4.350 0.000 0.000 0.200 4246 E C 2.010 178.605 176.600 -0.009 0.000 1.015 4246 E CA 1.768 58.163 56.400 -0.008 0.000 0.824 4246 E CB -0.299 29.396 29.700 -0.008 0.000 0.762 4246 E HN 0.345 nan 8.360 nan 0.000 0.454 4247 I N 0.551 121.117 120.570 -0.007 0.000 2.614 4247 I HA -0.189 3.981 4.170 0.000 0.000 0.258 4247 I C 1.946 178.059 176.117 -0.006 0.000 1.189 4247 I CA 0.624 61.920 61.300 -0.007 0.000 1.462 4247 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 4247 I HN 0.213 nan 8.210 nan 0.000 0.442 4248 L N 0.031 121.251 121.223 -0.006 0.000 2.093 4248 L HA -0.171 4.169 4.340 0.000 0.000 0.208 4248 L C 2.653 179.519 176.870 -0.007 0.000 1.085 4248 L CA 2.371 57.207 54.840 -0.006 0.000 0.755 4248 L CB -1.408 40.648 42.059 -0.005 0.000 0.904 4248 L HN 0.476 nan 8.230 nan 0.000 0.435 4249 T N -4.831 109.717 114.554 -0.009 0.000 3.014 4249 T HA -0.080 4.270 4.350 0.000 0.000 0.263 4249 T C 1.910 176.601 174.700 -0.014 0.000 1.078 4249 T CA 0.525 62.618 62.100 -0.011 0.000 1.135 4249 T CB -0.101 68.760 68.868 -0.012 0.000 0.895 4249 T HN 0.188 nan 8.240 nan 0.000 0.480 4250 K N 0.521 120.912 120.400 -0.014 0.000 2.062 4250 K HA 0.117 4.437 4.320 0.000 0.000 0.205 4250 K C 2.137 178.729 176.600 -0.012 0.000 1.051 4250 K CA 0.826 57.103 56.287 -0.016 0.000 0.941 4250 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 4250 K HN 0.235 nan 8.250 nan 0.000 0.440 4251 I N 1.338 121.904 120.570 -0.007 0.000 2.202 4251 I HA -0.202 3.968 4.170 0.000 0.000 0.242 4251 I C 2.501 178.617 176.117 -0.002 0.000 1.091 4251 I CA 1.193 62.491 61.300 -0.003 0.000 1.368 4251 I CB -1.360 36.639 38.000 -0.002 0.000 1.058 4251 I HN 0.092 nan 8.210 nan 0.000 0.410 4252 A N 0.726 123.543 122.820 -0.004 0.000 1.873 4252 A HA -0.248 4.072 4.320 0.000 0.000 0.218 4252 A C 2.412 179.994 177.584 -0.004 0.000 1.193 4252 A CA 1.996 54.031 52.037 -0.004 0.000 0.629 4252 A CB -0.624 18.372 19.000 -0.006 0.000 0.826 4252 A HN 0.354 nan 8.150 nan 0.000 0.447 4253 M N -0.326 119.268 119.600 -0.010 0.000 2.099 4253 M HA -0.132 4.348 4.480 0.000 0.000 0.262 4253 M C 2.437 178.731 176.300 -0.011 0.000 1.067 4253 M CA 2.031 57.321 55.300 -0.016 0.000 1.124 4253 M CB -0.681 31.900 32.600 -0.032 0.000 1.353 4253 M HN 0.718 nan 8.290 nan 0.000 0.410 4254 T N -2.757 111.792 114.554 -0.008 0.000 2.867 4254 T HA -0.098 4.252 4.350 0.000 0.000 0.268 4254 T C 1.888 176.606 174.700 0.030 0.000 1.057 4254 T CA 1.642 63.747 62.100 0.009 0.000 1.136 4254 T CB -0.462 68.412 68.868 0.010 0.000 0.874 4254 T HN 0.286 nan 8.240 nan 0.000 0.466 4255 S N 0.975 116.686 115.700 0.019 0.000 2.355 4255 S HA 0.042 4.512 4.470 0.000 0.000 0.222 4255 S C 1.990 176.607 174.600 0.027 0.000 1.031 4255 S CA 0.862 59.075 58.200 0.022 0.000 0.993 4255 S CB -0.603 62.604 63.200 0.012 0.000 0.859 4255 S HN 0.589 nan 8.310 nan 0.000 0.453 4256 I N 1.719 122.302 120.570 0.022 0.000 2.361 4256 I HA -0.108 4.062 4.170 0.000 0.000 0.251 4256 I C 1.220 177.364 176.117 0.045 0.000 1.133 4256 I CA 0.873 62.188 61.300 0.025 0.000 1.413 4256 I CB -0.909 37.100 38.000 0.015 0.000 1.073 4256 I HN 0.427 nan 8.210 nan 0.000 0.424 4257 T N -0.543 114.049 114.554 0.064 0.000 2.932 4257 T HA 0.315 4.665 4.350 0.000 0.000 0.312 4257 T C 1.169 175.947 174.700 0.130 0.000 1.071 4257 T CA 0.099 62.276 62.100 0.127 0.000 1.128 4257 T CB 1.273 70.259 68.868 0.196 0.000 0.984 4257 T HN 0.604 nan 8.240 nan 0.000 0.549 4258 G N 1.322 110.208 108.800 0.143 0.000 2.176 4258 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 4258 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 4258 G C -0.039 174.886 174.900 0.043 0.000 0.979 4258 G CA 0.352 45.494 45.100 0.070 0.000 0.641 4258 G HN 0.913 nan 8.290 nan 0.000 0.530 4259 K N -0.461 119.969 120.400 0.051 0.000 2.185 4259 K HA 0.681 5.001 4.320 0.000 0.000 0.240 4259 K C 1.585 178.207 176.600 0.037 0.000 0.983 4259 K CA 0.124 56.433 56.287 0.036 0.000 0.873 4259 K CB 0.842 33.361 32.500 0.032 0.000 1.118 4259 K HN 0.195 nan 8.250 nan 0.000 0.441 4260 G N 0.199 109.017 108.800 0.029 0.000 2.432 4260 G HA2 -0.226 3.735 3.960 0.000 0.000 0.219 4260 G HA3 -0.226 3.735 3.960 0.000 0.000 0.219 4260 G C 1.179 176.096 174.900 0.029 0.000 1.135 4260 G CA 1.024 46.141 45.100 0.028 0.000 0.767 4260 G HN 0.577 nan 8.290 nan 0.000 0.550 4261 A N 0.503 123.339 122.820 0.027 0.000 2.172 4261 A HA 0.081 4.401 4.320 0.000 0.000 0.216 4261 A C 1.988 179.586 177.584 0.024 0.000 1.154 4261 A CA 1.653 53.703 52.037 0.023 0.000 0.701 4261 A CB -0.338 18.674 19.000 0.019 0.000 0.789 4261 A HN 0.507 nan 8.150 nan 0.000 0.465 4262 E N 1.189 121.409 120.200 0.034 0.000 2.171 4262 E HA -0.297 4.053 4.350 0.000 0.000 0.197 4262 E C 1.880 178.496 176.600 0.026 0.000 0.997 4262 E CA 1.672 58.094 56.400 0.037 0.000 0.810 4262 E CB -0.202 29.539 29.700 0.069 0.000 0.738 4262 E HN 0.802 nan 8.360 nan 0.000 0.467 4263 K N -0.460 119.957 120.400 0.028 0.000 2.218 4263 K HA -0.122 4.198 4.320 0.000 0.000 0.205 4263 K C 1.239 177.847 176.600 0.012 0.000 1.046 4263 K CA 1.493 57.792 56.287 0.021 0.000 0.933 4263 K CB -0.017 32.496 32.500 0.022 0.000 0.728 4263 K HN 0.105 nan 8.250 nan 0.000 0.454 4264 A N 1.804 124.630 122.820 0.011 0.000 2.606 4264 A HA 0.136 4.456 4.320 0.000 0.000 0.290 4264 A C 1.368 178.953 177.584 0.002 0.000 1.174 4264 A CA -0.543 51.498 52.037 0.006 0.000 0.958 4264 A CB -0.015 18.990 19.000 0.008 0.000 1.194 4264 A HN 0.423 nan 8.150 nan 0.000 0.526 4265 K N 0.153 120.553 120.400 0.000 0.000 2.281 4265 K HA -0.188 4.132 4.320 0.000 0.000 0.203 4265 K C 0.863 177.457 176.600 -0.010 0.000 1.046 4265 K CA 1.870 58.155 56.287 -0.004 0.000 0.938 4265 K CB -0.096 32.399 32.500 -0.009 0.000 0.737 4265 K HN 0.317 nan 8.250 nan 0.000 0.458 4266 E N 1.501 121.695 120.200 -0.011 0.000 2.047 4266 E HA -0.137 4.213 4.350 0.000 0.000 0.191 4266 E C 1.916 178.511 176.600 -0.008 0.000 0.987 4266 E CA 1.305 57.697 56.400 -0.013 0.000 0.799 4266 E CB -0.050 29.642 29.700 -0.013 0.000 0.752 4266 E HN 0.267 nan 8.360 nan 0.000 0.449 4267 K N 0.212 120.609 120.400 -0.005 0.000 2.097 4267 K HA -0.067 4.253 4.320 0.000 0.000 0.205 4267 K C 1.658 178.256 176.600 -0.003 0.000 1.050 4267 K CA 0.722 57.007 56.287 -0.003 0.000 0.938 4267 K CB -0.201 32.299 32.500 0.000 0.000 0.718 4267 K HN -0.008 nan 8.250 nan 0.000 0.442 4268 L N 0.518 121.740 121.223 -0.003 0.000 2.056 4268 L HA 0.014 4.354 4.340 0.000 0.000 0.207 4268 L C 2.284 179.151 176.870 -0.005 0.000 1.078 4268 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 4268 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 4268 L HN 0.270 nan 8.230 nan 0.000 0.433 4269 A N -0.972 121.844 122.820 -0.006 0.000 1.933 4269 A HA -0.258 4.062 4.320 0.000 0.000 0.218 4269 A C 2.355 179.934 177.584 -0.008 0.000 1.175 4269 A CA 1.800 53.832 52.037 -0.008 0.000 0.628 4269 A CB -0.544 18.450 19.000 -0.011 0.000 0.814 4269 A HN 0.501 nan 8.150 nan 0.000 0.444 4270 E N -0.226 119.970 120.200 -0.008 0.000 2.077 4270 E HA -0.160 4.190 4.350 0.000 0.000 0.193 4270 E C 1.875 178.470 176.600 -0.007 0.000 0.989 4270 E CA 1.232 57.627 56.400 -0.007 0.000 0.800 4270 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 4270 E HN 0.663 nan 8.360 nan 0.000 0.452 4271 I N 0.342 120.907 120.570 -0.007 0.000 2.226 4271 I HA -0.265 3.905 4.170 0.000 0.000 0.245 4271 I C 2.117 178.228 176.117 -0.011 0.000 1.100 4271 I CA 0.738 62.033 61.300 -0.009 0.000 1.374 4271 I CB -0.073 37.921 38.000 -0.009 0.000 1.057 4271 I HN 0.200 nan 8.210 nan 0.000 0.413 4272 I N -0.451 120.114 120.570 -0.009 0.000 2.406 4272 I HA -0.161 4.009 4.170 0.000 0.000 0.249 4272 I C 2.295 178.407 176.117 -0.009 0.000 1.122 4272 I CA 1.073 62.367 61.300 -0.009 0.000 1.431 4272 I CB -0.303 37.693 38.000 -0.007 0.000 1.087 4272 I HN -0.072 nan 8.210 nan 0.000 0.424 4273 V N 0.231 120.140 119.914 -0.008 0.000 2.358 4273 V HA -0.245 3.875 4.120 0.000 0.000 0.246 4273 V C 2.501 178.591 176.094 -0.007 0.000 1.047 4273 V CA 1.864 64.160 62.300 -0.007 0.000 1.035 4273 V CB -0.523 31.296 31.823 -0.006 0.000 0.658 4273 V HN 0.401 nan 8.190 nan 0.000 0.452 4274 E N 0.824 121.020 120.200 -0.007 0.000 2.072 4274 E HA -0.143 4.207 4.350 0.000 0.000 0.191 4274 E C 2.133 178.727 176.600 -0.009 0.000 0.985 4274 E CA 1.597 57.992 56.400 -0.007 0.000 0.801 4274 E CB -0.462 29.233 29.700 -0.008 0.000 0.750 4274 E HN 0.489 nan 8.360 nan 0.000 0.452 4275 A N 0.078 122.891 122.820 -0.012 0.000 1.877 4275 A HA -0.145 4.175 4.320 0.000 0.000 0.216 4275 A C 2.511 180.087 177.584 -0.013 0.000 1.186 4275 A CA 1.746 53.774 52.037 -0.016 0.000 0.620 4275 A CB -0.849 18.140 19.000 -0.019 0.000 0.822 4275 A HN 0.205 nan 8.150 nan 0.000 0.443 4276 V N -0.514 119.393 119.914 -0.010 0.000 2.307 4276 V HA -0.197 3.923 4.120 0.000 0.000 0.245 4276 V C 2.816 178.907 176.094 -0.006 0.000 1.045 4276 V CA 2.273 64.569 62.300 -0.008 0.000 1.024 4276 V CB -0.714 31.104 31.823 -0.007 0.000 0.651 4276 V HN 0.668 nan 8.190 nan 0.000 0.449 4277 S N -0.093 115.605 115.700 -0.004 0.000 2.370 4277 S HA -0.207 4.263 4.470 0.000 0.000 0.226 4277 S C 2.119 176.720 174.600 0.002 0.000 1.033 4277 S CA 1.705 59.904 58.200 -0.001 0.000 1.011 4277 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 4277 S HN 0.616 nan 8.310 nan 0.000 0.457 4278 A N 0.716 123.537 122.820 0.000 0.000 1.933 4278 A HA -0.007 4.313 4.320 0.000 0.000 0.218 4278 A C 2.320 179.907 177.584 0.005 0.000 1.175 4278 A CA 1.862 53.902 52.037 0.004 0.000 0.628 4278 A CB -0.788 18.210 19.000 -0.003 0.000 0.814 4278 A HN 0.987 nan 8.150 nan 0.000 0.444 4279 V N -3.841 116.072 119.914 -0.002 0.000 3.307 4279 V HA 0.090 4.210 4.120 0.000 0.000 0.253 4279 V C 1.996 178.088 176.094 -0.003 0.000 1.149 4279 V CA 1.160 63.458 62.300 -0.004 0.000 1.112 4279 V CB -0.248 31.568 31.823 -0.011 0.000 0.777 4279 V HN 0.171 nan 8.190 nan 0.000 0.464 4280 V N 0.500 120.413 119.914 -0.003 0.000 2.453 4280 V HA -0.032 4.088 4.120 0.000 0.000 0.247 4280 V C 1.626 177.719 176.094 -0.002 0.000 1.048 4280 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 4280 V CB -0.276 31.545 31.823 -0.003 0.000 0.672 4280 V HN 0.810 nan 8.190 nan 0.000 0.457 4281 D N -0.617 119.784 120.400 0.001 0.000 4.438 4281 D HA -0.218 4.422 4.640 0.000 0.000 0.158 4281 D C 0.600 176.898 176.300 -0.004 0.000 0.686 4281 D CA 1.945 55.945 54.000 0.000 0.000 1.183 4281 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 4281 D HN 0.574 nan 8.370 nan 0.000 0.521 4282 D N 1.462 121.858 120.400 -0.007 0.000 2.384 4282 D HA 0.262 4.902 4.640 0.000 0.000 0.244 4282 D C -0.302 175.994 176.300 -0.006 0.000 1.251 4282 D CA 0.307 54.302 54.000 -0.008 0.000 0.961 4282 D CB 0.421 41.215 40.800 -0.010 0.000 1.116 4282 D HN 0.219 nan 8.370 nan 0.000 0.484 4283 E N -0.134 120.062 120.200 -0.006 0.000 2.400 4283 E HA 0.565 4.915 4.350 0.000 0.000 0.232 4283 E C -0.261 176.336 176.600 -0.005 0.000 0.988 4283 E CA -0.657 55.740 56.400 -0.005 0.000 0.823 4283 E CB 0.779 30.476 29.700 -0.004 0.000 1.246 4283 E HN 0.497 nan 8.360 nan 0.000 0.441 4284 G N 1.735 110.532 108.800 -0.005 0.000 2.339 4284 G HA2 0.211 4.171 3.960 0.000 0.000 0.302 4284 G HA3 0.211 4.171 3.960 0.000 0.000 0.302 4284 G C -1.781 173.117 174.900 -0.004 0.000 1.425 4284 G CA -0.815 44.283 45.100 -0.005 0.000 0.899 4284 G HN 0.063 nan 8.290 nan 0.000 0.619 4285 K N 0.312 120.710 120.400 -0.005 0.000 2.550 4285 K HA 0.543 4.863 4.320 0.000 0.000 0.252 4285 K C -1.344 175.253 176.600 -0.005 0.000 0.943 4285 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 4285 K CB 2.196 34.693 32.500 -0.005 0.000 1.289 4285 K HN 0.601 nan 8.250 nan 0.000 0.435 4286 V N 3.324 123.235 119.914 -0.005 0.000 2.370 4286 V HA 0.261 4.381 4.120 0.000 0.000 0.279 4286 V C -0.310 175.780 176.094 -0.006 0.000 1.029 4286 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 4286 V CB 1.370 33.190 31.823 -0.005 0.000 0.984 4286 V HN 0.624 nan 8.190 nan 0.000 0.451 4287 D N 3.812 124.208 120.400 -0.007 0.000 2.453 4287 D HA 0.305 4.945 4.640 0.000 0.000 0.238 4287 D C 0.864 177.158 176.300 -0.010 0.000 1.088 4287 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 4287 D CB 1.597 42.392 40.800 -0.009 0.000 1.076 4287 D HN 0.423 nan 8.370 nan 0.000 0.533 4288 K N 1.964 122.358 120.400 -0.010 0.000 2.360 4288 K HA -0.150 4.170 4.320 0.000 0.000 0.201 4288 K C 0.906 177.498 176.600 -0.014 0.000 1.046 4288 K CA 0.810 57.091 56.287 -0.011 0.000 0.945 4288 K CB 0.242 32.736 32.500 -0.009 0.000 0.750 4288 K HN 0.344 nan 8.250 nan 0.000 0.464 4289 D N 0.783 121.174 120.400 -0.014 0.000 2.310 4289 D HA -0.081 4.559 4.640 0.000 0.000 0.212 4289 D C 1.259 177.546 176.300 -0.022 0.000 0.965 4289 D CA 0.641 54.631 54.000 -0.017 0.000 0.879 4289 D CB 0.137 40.928 40.800 -0.015 0.000 0.921 4289 D HN 0.118 nan 8.370 nan 0.000 0.510 4290 L N -0.155 121.055 121.223 -0.021 0.000 2.554 4290 L HA 0.157 4.497 4.340 0.000 0.000 0.226 4290 L C 0.349 177.201 176.870 -0.029 0.000 1.137 4290 L CA 0.204 55.029 54.840 -0.024 0.000 0.863 4290 L CB 0.077 42.124 42.059 -0.019 0.000 0.985 4290 L HN 0.021 nan 8.230 nan 0.000 0.451 4291 I N 0.652 121.205 120.570 -0.028 0.000 2.390 4291 I HA 0.171 4.341 4.170 0.000 0.000 0.283 4291 I C 0.108 176.204 176.117 -0.035 0.000 1.016 4291 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 4291 I CB 1.416 39.401 38.000 -0.025 0.000 1.293 4291 I HN -0.033 nan 8.210 nan 0.000 0.458 4292 K N 6.815 127.188 120.400 -0.046 0.000 2.276 4292 K HA 0.400 4.720 4.320 0.000 0.000 0.283 4292 K C -0.646 175.924 176.600 -0.049 0.000 1.044 4292 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 4292 K CB 0.875 33.337 32.500 -0.064 0.000 1.012 4292 K HN 0.456 nan 8.250 nan 0.000 0.472 4293 I N 4.325 124.871 120.570 -0.039 0.000 2.307 4293 I HA 0.155 4.325 4.170 0.000 0.000 0.287 4293 I C -0.139 175.958 176.117 -0.033 0.000 1.054 4293 I CA -0.550 60.730 61.300 -0.034 0.000 1.218 4293 I CB 0.684 38.670 38.000 -0.024 0.000 1.398 4293 I HN 0.674 nan 8.210 nan 0.000 0.475 4294 E N 7.301 127.477 120.200 -0.040 0.000 2.216 4294 E HA 0.473 4.823 4.350 0.000 0.000 0.279 4294 E C -0.733 175.857 176.600 -0.016 0.000 0.997 4294 E CA -0.588 55.793 56.400 -0.030 0.000 0.817 4294 E CB 1.045 30.718 29.700 -0.046 0.000 1.096 4294 E HN 0.542 nan 8.360 nan 0.000 0.393 4295 K N 2.884 123.280 120.400 -0.007 0.000 2.541 4295 K HA 0.562 4.882 4.320 0.000 0.000 0.250 4295 K C -1.029 175.574 176.600 0.005 0.000 0.950 4295 K CA -1.086 55.199 56.287 -0.002 0.000 0.805 4295 K CB 1.510 34.004 32.500 -0.010 0.000 1.166 4295 K HN 0.092 nan 8.250 nan 0.000 0.430 4296 K N 2.043 122.452 120.400 0.015 0.000 2.578 4296 K HA 0.197 4.517 4.320 0.000 0.000 0.250 4296 K C -0.895 175.717 176.600 0.019 0.000 0.955 4296 K CA -0.652 55.648 56.287 0.022 0.000 0.825 4296 K CB 2.045 34.570 32.500 0.042 0.000 1.151 4296 K HN 0.776 nan 8.250 nan 0.000 0.432 4297 S N 1.278 116.986 115.700 0.012 0.000 2.568 4297 S HA 0.503 4.973 4.470 0.000 0.000 0.282 4297 S C 0.358 174.969 174.600 0.019 0.000 1.338 4297 S CA 1.270 59.478 58.200 0.014 0.000 1.045 4297 S CB 0.152 63.359 63.200 0.011 0.000 0.873 4297 S HN 0.873 nan 8.310 nan 0.000 0.516 4298 G N 1.675 110.487 108.800 0.020 0.000 2.465 4298 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 4298 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 4298 G C -0.085 174.828 174.900 0.021 0.000 1.340 4298 G CA -0.050 45.062 45.100 0.020 0.000 0.884 4298 G HN 2.157 nan 8.290 nan 0.000 0.650 4299 A N -0.571 122.260 122.820 0.019 0.000 5.953 4299 A HA 0.393 4.713 4.320 0.000 0.000 0.267 4299 A C 1.121 178.716 177.584 0.018 0.000 2.116 4299 A CA 1.934 53.982 52.037 0.018 0.000 0.711 4299 A CB -1.621 17.392 19.000 0.022 0.000 1.100 4299 A HN 2.723 nan 8.150 nan 0.000 0.364 4300 S N -2.790 112.921 115.700 0.018 0.000 2.811 4300 S HA 0.703 5.173 4.470 0.000 0.000 0.311 4300 S C 1.121 175.732 174.600 0.018 0.000 1.152 4300 S CA 0.148 58.358 58.200 0.017 0.000 0.864 4300 S CB 1.307 64.516 63.200 0.015 0.000 1.226 4300 S HN 1.564 nan 8.310 nan 0.000 0.541 4301 I N 1.304 121.884 120.570 0.016 0.000 2.614 4301 I HA -0.093 4.077 4.170 0.000 0.000 0.258 4301 I C 0.876 177.001 176.117 0.014 0.000 1.189 4301 I CA 1.275 62.584 61.300 0.015 0.000 1.462 4301 I CB -0.086 37.922 38.000 0.015 0.000 1.092 4301 I HN 0.585 nan 8.210 nan 0.000 0.442 4302 D N 1.026 121.434 120.400 0.013 0.000 2.178 4302 D HA -0.181 4.459 4.640 0.000 0.000 0.201 4302 D C 1.437 177.745 176.300 0.014 0.000 0.980 4302 D CA 1.305 55.312 54.000 0.012 0.000 0.842 4302 D CB -0.248 40.559 40.800 0.011 0.000 0.948 4302 D HN 0.480 nan 8.370 nan 0.000 0.472 4303 D N -0.525 119.886 120.400 0.017 0.000 2.347 4303 D HA -0.022 4.618 4.640 0.000 0.000 0.215 4303 D C 0.264 176.579 176.300 0.025 0.000 0.976 4303 D CA 0.452 54.465 54.000 0.022 0.000 0.884 4303 D CB -0.002 40.813 40.800 0.025 0.000 0.915 4303 D HN -0.026 nan 8.370 nan 0.000 0.526 4304 T N 1.099 115.664 114.554 0.019 0.000 2.933 4304 T HA 0.170 4.520 4.350 0.000 0.000 0.306 4304 T C 0.122 174.829 174.700 0.012 0.000 1.045 4304 T CA 0.526 62.635 62.100 0.015 0.000 1.143 4304 T CB 0.653 69.527 68.868 0.010 0.000 1.003 4304 T HN 0.038 nan 8.240 nan 0.000 0.540 4305 E N 1.793 121.998 120.200 0.009 0.000 2.390 4305 E HA 0.521 4.871 4.350 0.000 0.000 0.280 4305 E C -1.948 174.644 176.600 -0.013 0.000 0.992 4305 E CA -0.800 55.602 56.400 0.004 0.000 0.790 4305 E CB 1.039 30.750 29.700 0.019 0.000 1.248 4305 E HN 0.349 nan 8.360 nan 0.000 0.447 4306 L N 3.624 124.837 121.223 -0.017 0.000 2.292 4306 L HA 0.599 4.940 4.340 0.000 0.000 0.284 4306 L C -1.140 175.706 176.870 -0.040 0.000 1.065 4306 L CA -0.218 54.602 54.840 -0.033 0.000 0.806 4306 L CB 0.833 42.877 42.059 -0.026 0.000 1.175 4306 L HN 0.577 nan 8.230 nan 0.000 0.431 4307 I N 5.552 126.079 120.570 -0.071 0.000 2.382 4307 I HA 0.304 4.474 4.170 0.000 0.000 0.285 4307 I C -0.135 175.935 176.117 -0.078 0.000 1.007 4307 I CA -0.493 60.758 61.300 -0.083 0.000 1.142 4307 I CB 1.186 39.086 38.000 -0.168 0.000 1.289 4307 I HN 0.315 nan 8.210 nan 0.000 0.453 4308 K N 5.804 126.174 120.400 -0.049 0.000 2.081 4308 K HA 0.516 4.836 4.320 0.000 0.000 0.230 4308 K C 0.459 177.030 176.600 -0.048 0.000 1.199 4308 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 4308 K CB -0.211 32.269 32.500 -0.032 0.000 1.386 4308 K HN 0.968 nan 8.250 nan 0.000 0.280 4309 G N -0.696 108.063 108.800 -0.068 0.000 2.455 4309 G HA2 0.121 4.081 3.960 0.000 0.000 0.223 4309 G HA3 0.121 4.081 3.960 0.000 0.000 0.223 4309 G C -1.637 173.197 174.900 -0.110 0.000 1.226 4309 G CA -0.721 44.336 45.100 -0.072 0.000 0.948 4309 G HN 0.086 nan 8.290 nan 0.000 0.478 4310 V N 0.445 120.284 119.914 -0.125 0.000 2.588 4310 V HA 0.636 4.756 4.120 0.000 0.000 0.304 4310 V C -0.805 175.176 176.094 -0.189 0.000 1.042 4310 V CA -0.627 61.581 62.300 -0.154 0.000 0.877 4310 V CB 1.559 33.290 31.823 -0.153 0.000 0.996 4310 V HN 0.608 nan 8.190 nan 0.000 0.425 4311 L N 5.209 126.287 121.223 -0.242 0.000 2.255 4311 L HA 0.490 4.830 4.340 0.000 0.000 0.289 4311 L C -0.091 176.733 176.870 -0.077 0.000 1.046 4311 L CA 0.166 54.840 54.840 -0.277 0.000 0.816 4311 L CB 1.473 43.244 42.059 -0.480 0.000 1.197 4311 L HN 0.438 nan 8.230 nan 0.000 0.427 4312 V N 2.685 122.622 119.914 0.038 0.000 2.394 4312 V HA 0.237 4.357 4.120 0.000 0.000 0.282 4312 V C 0.119 176.293 176.094 0.133 0.000 1.031 4312 V CA -0.784 61.556 62.300 0.066 0.000 0.881 4312 V CB 1.570 33.449 31.823 0.095 0.000 0.982 4312 V HN 0.781 nan 8.190 nan 0.000 0.451 4313 D N 3.772 124.227 120.400 0.091 0.000 3.085 4313 D HA 0.176 4.816 4.640 0.000 0.000 0.243 4313 D C 0.118 176.472 176.300 0.090 0.000 1.232 4313 D CA -0.255 53.800 54.000 0.092 0.000 0.913 4313 D CB 0.137 40.973 40.800 0.060 0.000 1.108 4313 D HN 0.268 nan 8.370 nan 0.000 0.468 4314 K N 0.458 120.928 120.400 0.117 0.000 2.409 4314 K HA 0.421 4.741 4.320 0.000 0.000 0.252 4314 K C 0.352 177.008 176.600 0.093 0.000 1.036 4314 K CA -0.651 55.700 56.287 0.107 0.000 0.871 4314 K CB 2.263 34.850 32.500 0.146 0.000 1.374 4314 K HN 0.308 nan 8.250 nan 0.000 0.459 4315 E N 0.733 120.970 120.200 0.062 0.000 2.378 4315 E HA 0.394 4.744 4.350 0.000 0.000 0.265 4315 E C -0.683 175.925 176.600 0.014 0.000 0.932 4315 E CA -0.906 55.515 56.400 0.035 0.000 0.795 4315 E CB 1.244 30.957 29.700 0.021 0.000 1.296 4315 E HN 0.217 nan 8.360 nan 0.000 0.438 4316 R N 1.245 121.744 120.500 -0.002 0.000 2.296 4316 R HA 0.107 4.447 4.340 0.000 0.000 0.323 4316 R C 1.362 177.653 176.300 -0.015 0.000 1.067 4316 R CA 0.223 56.310 56.100 -0.022 0.000 0.946 4316 R CB 0.460 30.745 30.300 -0.023 0.000 0.991 4316 R HN 0.559 nan 8.270 nan 0.000 0.448 4317 V N -0.044 119.857 119.914 -0.022 0.000 2.720 4317 V HA -0.075 4.045 4.120 0.000 0.000 0.256 4317 V C 0.904 176.999 176.094 0.002 0.000 1.082 4317 V CA 1.078 63.371 62.300 -0.011 0.000 1.101 4317 V CB -0.224 31.588 31.823 -0.019 0.000 0.693 4317 V HN 0.524 nan 8.190 nan 0.000 0.479 4318 S N -1.004 114.696 115.700 0.000 0.000 2.526 4318 S HA 0.774 5.244 4.470 0.000 0.000 0.293 4318 S C 0.843 175.443 174.600 -0.000 0.000 1.092 4318 S CA -0.120 58.087 58.200 0.012 0.000 0.980 4318 S CB 1.874 65.090 63.200 0.026 0.000 1.048 4318 S HN 0.711 nan 8.310 nan 0.000 0.483 4319 A N 3.264 126.083 122.820 -0.001 0.000 2.070 4319 A HA -0.043 4.277 4.320 0.000 0.000 0.220 4319 A C 1.776 179.352 177.584 -0.013 0.000 1.159 4319 A CA 1.259 53.290 52.037 -0.009 0.000 0.656 4319 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 4319 A HN 0.899 nan 8.150 nan 0.000 0.453 4320 Q N -1.030 118.763 119.800 -0.012 0.000 2.424 4320 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 4320 Q C 0.212 176.206 176.000 -0.010 0.000 0.933 4320 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 4320 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 4320 Q HN 0.658 nan 8.270 nan 0.000 0.511 4321 M N 1.516 121.110 119.600 -0.010 0.000 2.250 4321 M HA 0.222 4.702 4.480 0.000 0.000 0.344 4321 M C -2.138 174.153 176.300 -0.014 0.000 1.150 4321 M CA -2.023 53.269 55.300 -0.013 0.000 1.147 4321 M CB 0.388 32.977 32.600 -0.020 0.000 1.498 4321 M HN -0.192 nan 8.290 nan 0.000 0.461 4322 P HA -0.021 nan 4.420 nan 0.000 0.269 4322 P C -0.156 177.135 177.300 -0.014 0.000 1.211 4322 P CA 0.055 63.148 63.100 -0.012 0.000 0.781 4322 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 4323 K N 1.031 121.423 120.400 -0.013 0.000 2.379 4323 K HA 0.056 4.376 4.320 0.000 0.000 0.194 4323 K C 0.485 177.078 176.600 -0.012 0.000 1.031 4323 K CA 0.807 57.084 56.287 -0.016 0.000 1.037 4323 K CB 0.143 32.631 32.500 -0.019 0.000 0.824 4323 K HN 0.577 nan 8.250 nan 0.000 0.516 4324 K N -0.781 119.616 120.400 -0.005 0.000 2.557 4324 K HA 0.381 4.701 4.320 0.000 0.000 0.257 4324 K C -1.260 175.345 176.600 0.008 0.000 0.933 4324 K CA -0.733 55.557 56.287 0.005 0.000 0.820 4324 K CB 1.983 34.484 32.500 0.002 0.000 1.330 4324 K HN -0.285 nan 8.250 nan 0.000 0.432 4325 V N 2.046 121.971 119.914 0.019 0.000 2.483 4325 V HA 0.429 4.550 4.120 0.000 0.000 0.297 4325 V C -0.283 175.827 176.094 0.027 0.000 1.027 4325 V CA -0.527 61.785 62.300 0.019 0.000 0.855 4325 V CB 1.837 33.670 31.823 0.017 0.000 0.995 4325 V HN 0.998 nan 8.190 nan 0.000 0.424 4326 T N 0.078 114.645 114.554 0.021 0.000 2.929 4326 T HA 0.541 4.891 4.350 0.000 0.000 0.284 4326 T C 0.124 174.836 174.700 0.021 0.000 1.014 4326 T CA -0.276 61.837 62.100 0.022 0.000 1.051 4326 T CB 1.297 70.175 68.868 0.016 0.000 1.028 4326 T HN 0.769 nan 8.240 nan 0.000 0.485 4327 D N 0.338 120.750 120.400 0.022 0.000 2.689 4327 D HA -0.153 4.487 4.640 0.000 0.000 0.237 4327 D C 0.301 176.616 176.300 0.026 0.000 1.148 4327 D CA 0.840 54.852 54.000 0.020 0.000 0.656 4327 D CB -1.252 39.557 40.800 0.015 0.000 1.050 4327 D HN 1.103 nan 8.370 nan 0.000 0.426 4328 A N 1.405 124.246 122.820 0.035 0.000 2.477 4328 A HA 0.377 4.697 4.320 0.000 0.000 0.246 4328 A C 0.542 178.153 177.584 0.046 0.000 1.078 4328 A CA 0.145 52.208 52.037 0.044 0.000 0.770 4328 A CB 0.595 19.633 19.000 0.064 0.000 1.011 4328 A HN 0.156 nan 8.150 nan 0.000 0.494 4329 K N 3.179 123.605 120.400 0.043 0.000 2.347 4329 K HA 0.399 4.720 4.320 0.000 0.000 0.262 4329 K C -0.940 175.695 176.600 0.058 0.000 1.052 4329 K CA 0.157 56.471 56.287 0.044 0.000 0.946 4329 K CB 0.927 33.445 32.500 0.031 0.000 1.220 4329 K HN 0.638 nan 8.250 nan 0.000 0.450 4330 I N 2.034 122.654 120.570 0.083 0.000 2.353 4330 I HA 0.286 4.457 4.170 0.000 0.000 0.293 4330 I C 0.274 176.460 176.117 0.114 0.000 0.992 4330 I CA -0.656 60.724 61.300 0.133 0.000 1.268 4330 I CB 1.587 39.707 38.000 0.199 0.000 1.387 4330 I HN 0.433 nan 8.210 nan 0.000 0.478 4331 A N 7.675 130.566 122.820 0.119 0.000 2.337 4331 A HA 0.840 5.160 4.320 0.000 0.000 0.329 4331 A C -0.778 176.892 177.584 0.143 0.000 1.146 4331 A CA -0.546 51.550 52.037 0.097 0.000 0.800 4331 A CB 0.934 19.968 19.000 0.057 0.000 1.220 4331 A HN 0.703 nan 8.150 nan 0.000 0.472 4332 L N 3.151 124.439 121.223 0.107 0.000 2.345 4332 L HA 0.419 4.759 4.340 0.000 0.000 0.274 4332 L C -0.980 175.933 176.870 0.072 0.000 0.999 4332 L CA -0.090 54.815 54.840 0.108 0.000 0.849 4332 L CB 1.026 43.130 42.059 0.075 0.000 1.220 4332 L HN 0.564 nan 8.230 nan 0.000 0.422 4333 L N 3.352 124.620 121.223 0.075 0.000 2.307 4333 L HA 0.381 4.721 4.340 0.000 0.000 0.284 4333 L C 0.721 177.620 176.870 0.049 0.000 1.023 4333 L CA -0.502 54.368 54.840 0.051 0.000 0.810 4333 L CB 1.761 43.845 42.059 0.043 0.000 1.231 4333 L HN 0.623 nan 8.230 nan 0.000 0.423 4334 N N 0.747 119.468 118.700 0.035 0.000 2.322 4334 N HA -0.021 4.719 4.740 0.000 0.000 0.181 4334 N C 0.444 175.969 175.510 0.025 0.000 1.088 4334 N CA -0.277 52.791 53.050 0.030 0.000 0.885 4334 N CB -0.304 38.197 38.487 0.023 0.000 1.013 4334 N HN 0.586 nan 8.380 nan 0.000 0.472 4335 C N 0.243 119.557 119.300 0.022 0.000 2.595 4335 C HA 0.849 5.309 4.460 0.000 0.000 0.384 4335 C C 0.949 175.950 174.990 0.019 0.000 1.289 4335 C CA -1.450 57.579 59.018 0.018 0.000 2.372 4335 C CB -0.178 27.571 27.740 0.015 0.000 2.593 4335 C HN 0.479 nan 8.230 nan 0.000 0.639 4336 A N 2.433 125.262 122.820 0.015 0.000 2.401 4336 A HA 0.596 4.916 4.320 0.000 0.000 0.259 4336 A C 0.040 177.631 177.584 0.012 0.000 1.103 4336 A CA -0.515 51.530 52.037 0.014 0.000 0.789 4336 A CB -0.162 18.845 19.000 0.011 0.000 1.035 4336 A HN 0.879 nan 8.150 nan 0.000 0.491 4337 I N 2.836 123.412 120.570 0.011 0.000 2.317 4337 I HA 0.266 4.436 4.170 0.000 0.000 0.286 4337 I C -0.285 175.837 176.117 0.009 0.000 1.119 4337 I CA -0.061 61.245 61.300 0.011 0.000 1.228 4337 I CB -0.209 37.798 38.000 0.011 0.000 1.476 4337 I HN 0.828 nan 8.210 nan 0.000 0.514 4338 E N 3.913 124.119 120.200 0.010 0.000 2.445 4338 E HA 0.544 4.894 4.350 0.000 0.000 0.273 4338 E C -0.693 175.916 176.600 0.016 0.000 0.961 4338 E CA -1.045 55.361 56.400 0.010 0.000 0.807 4338 E CB 1.127 30.830 29.700 0.004 0.000 1.362 4338 E HN 0.095 nan 8.360 nan 0.000 0.453 4339 I N 1.466 122.048 120.570 0.020 0.000 2.705 4339 I HA 0.071 4.241 4.170 0.000 0.000 0.291 4339 I C 0.209 176.337 176.117 0.019 0.000 1.146 4339 I CA 0.114 61.429 61.300 0.025 0.000 1.383 4339 I CB -0.732 37.287 38.000 0.032 0.000 1.454 4339 I HN 0.375 nan 8.210 nan 0.000 0.581 4340 K N 7.157 127.567 120.400 0.017 0.000 2.412 4340 K HA 0.143 4.463 4.320 0.000 0.000 0.281 4340 K C -0.034 176.576 176.600 0.017 0.000 1.027 4340 K CA 0.049 56.345 56.287 0.014 0.000 0.989 4340 K CB 0.407 32.914 32.500 0.012 0.000 0.935 4340 K HN 0.688 nan 8.250 nan 0.000 0.475 4341 E N 1.644 121.852 120.200 0.013 0.000 2.227 4341 E HA 0.251 4.601 4.350 0.000 0.000 0.268 4341 E C -0.746 175.861 176.600 0.010 0.000 0.907 4341 E CA -1.110 55.298 56.400 0.013 0.000 0.786 4341 E CB 1.371 31.076 29.700 0.008 0.000 1.191 4341 E HN 0.487 nan 8.360 nan 0.000 0.411 4342 T N 1.062 115.623 114.554 0.011 0.000 2.906 4342 T HA -0.038 4.312 4.350 0.000 0.000 0.320 4342 T C 0.729 175.433 174.700 0.006 0.000 1.088 4342 T CA 0.146 62.252 62.100 0.009 0.000 1.120 4342 T CB 0.512 69.386 68.868 0.011 0.000 1.000 4342 T HN 0.590 nan 8.240 nan 0.000 0.550 4343 E N 1.374 121.577 120.200 0.006 0.000 2.153 4343 E HA 0.020 4.370 4.350 0.000 0.000 0.194 4343 E C 1.270 177.872 176.600 0.003 0.000 0.988 4343 E CA 1.275 57.677 56.400 0.004 0.000 0.811 4343 E CB -0.333 29.370 29.700 0.004 0.000 0.746 4343 E HN 0.868 nan 8.360 nan 0.000 0.466 4344 T N -0.709 113.847 114.554 0.003 0.000 2.868 4344 T HA 0.095 4.445 4.350 0.000 0.000 0.292 4344 T C 0.207 174.907 174.700 0.000 0.000 1.028 4344 T CA -0.915 61.187 62.100 0.002 0.000 1.059 4344 T CB 1.072 69.942 68.868 0.004 0.000 0.991 4344 T HN -0.174 nan 8.240 nan 0.000 0.531 4345 D N 1.068 121.468 120.400 -0.001 0.000 2.382 4345 D HA 0.431 5.071 4.640 0.000 0.000 0.259 4345 D C -0.345 175.952 176.300 -0.005 0.000 1.224 4345 D CA 0.175 54.173 54.000 -0.004 0.000 0.894 4345 D CB -0.152 40.646 40.800 -0.005 0.000 1.127 4345 D HN 0.938 nan 8.370 nan 0.000 0.487 4346 A N 3.704 126.519 122.820 -0.009 0.000 2.587 4346 A HA 0.724 5.044 4.320 0.000 0.000 0.293 4346 A C -1.061 176.507 177.584 -0.026 0.000 1.087 4346 A CA -0.803 51.227 52.037 -0.012 0.000 0.692 4346 A CB 1.497 20.495 19.000 -0.003 0.000 1.291 4346 A HN 0.614 nan 8.150 nan 0.000 0.407 4347 E N 0.491 120.667 120.200 -0.040 0.000 2.392 4347 E HA 0.593 4.943 4.350 0.000 0.000 0.279 4347 E C -1.597 174.932 176.600 -0.118 0.000 0.964 4347 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 4347 E CB 1.088 30.749 29.700 -0.065 0.000 1.249 4347 E HN 0.317 nan 8.360 nan 0.000 0.449 4348 I N 1.796 122.241 120.570 -0.207 0.000 2.556 4348 I HA 0.101 4.271 4.170 0.000 0.000 0.284 4348 I C 0.174 176.088 176.117 -0.339 0.000 1.114 4348 I CA 0.001 61.046 61.300 -0.425 0.000 1.418 4348 I CB 0.291 37.861 38.000 -0.717 0.000 1.394 4348 I HN 0.343 nan 8.210 nan 0.000 0.552 4349 R N 7.057 127.388 120.500 -0.282 0.000 2.332 4349 R HA 0.381 4.721 4.340 0.000 0.000 0.306 4349 R C -0.675 175.591 176.300 -0.056 0.000 1.117 4349 R CA -0.861 55.169 56.100 -0.117 0.000 1.108 4349 R CB 0.382 30.666 30.300 -0.027 0.000 1.126 4349 R HN 0.418 nan 8.270 nan 0.000 0.548 4350 I N 2.691 123.213 120.570 -0.079 0.000 2.648 4350 I HA -0.049 4.121 4.170 0.000 0.000 0.284 4350 I C 1.707 177.867 176.117 0.071 0.000 1.153 4350 I CA 0.789 62.112 61.300 0.038 0.000 1.426 4350 I CB 0.641 38.646 38.000 0.008 0.000 1.381 4350 I HN 0.536 nan 8.210 nan 0.000 0.571 4351 T N -0.122 114.502 114.554 0.116 0.000 2.975 4351 T HA 0.218 4.568 4.350 0.000 0.000 0.261 4351 T C 0.241 174.978 174.700 0.062 0.000 0.984 4351 T CA -0.231 61.915 62.100 0.078 0.000 0.911 4351 T CB 0.748 69.665 68.868 0.081 0.000 1.127 4351 T HN 0.615 nan 8.240 nan 0.000 0.514 4352 D N 0.462 120.906 120.400 0.074 0.000 2.769 4352 D HA 0.275 4.915 4.640 0.000 0.000 0.219 4352 D C -2.559 173.777 176.300 0.059 0.000 1.245 4352 D CA -1.480 52.552 54.000 0.053 0.000 0.801 4352 D CB 2.540 43.365 40.800 0.041 0.000 1.598 4352 D HN -0.325 nan 8.370 nan 0.000 0.485 4353 P HA -0.134 nan 4.420 nan 0.000 0.218 4353 P C 0.949 178.275 177.300 0.043 0.000 1.146 4353 P CA 1.607 64.731 63.100 0.040 0.000 0.820 4353 P CB 0.303 32.019 31.700 0.027 0.000 0.778 4354 A N -0.621 122.221 122.820 0.037 0.000 1.873 4354 A HA -0.181 4.139 4.320 0.000 0.000 0.215 4354 A C 2.128 179.735 177.584 0.039 0.000 1.186 4354 A CA 1.724 53.779 52.037 0.029 0.000 0.616 4354 A CB -0.938 18.070 19.000 0.014 0.000 0.823 4354 A HN 0.027 nan 8.150 nan 0.000 0.442 4355 K N -0.524 119.912 120.400 0.059 0.000 2.152 4355 K HA -0.078 4.242 4.320 0.000 0.000 0.206 4355 K C 1.700 178.448 176.600 0.247 0.000 1.048 4355 K CA 0.961 57.307 56.287 0.097 0.000 0.933 4355 K CB -0.520 32.074 32.500 0.156 0.000 0.721 4355 K HN 0.398 nan 8.250 nan 0.000 0.447 4356 L N 0.165 121.505 121.223 0.195 0.000 2.043 4356 L HA -0.199 4.141 4.340 0.000 0.000 0.212 4356 L C 1.749 178.718 176.870 0.165 0.000 1.075 4356 L CA 1.823 56.771 54.840 0.179 0.000 0.752 4356 L CB -0.263 41.851 42.059 0.092 0.000 0.891 4356 L HN 0.215 nan 8.230 nan 0.000 0.432 4357 M N -1.286 118.379 119.600 0.108 0.000 2.236 4357 M HA -0.111 4.369 4.480 0.000 0.000 0.266 4357 M C 2.211 178.548 176.300 0.061 0.000 1.070 4357 M CA 1.278 56.623 55.300 0.074 0.000 1.137 4357 M CB -1.092 31.535 32.600 0.044 0.000 1.378 4357 M HN 0.395 nan 8.290 nan 0.000 0.426 4358 E N 0.067 120.283 120.200 0.026 0.000 2.085 4358 E HA -0.189 4.161 4.350 0.000 0.000 0.194 4358 E C 1.900 178.446 176.600 -0.090 0.000 0.994 4358 E CA 1.281 57.640 56.400 -0.068 0.000 0.801 4358 E CB -0.040 29.562 29.700 -0.164 0.000 0.743 4358 E HN 0.384 nan 8.360 nan 0.000 0.453 4359 F N 0.494 120.450 119.950 0.010 0.000 2.134 4359 F HA -0.141 4.387 4.527 0.000 0.000 0.299 4359 F C 2.213 178.021 175.800 0.014 0.000 1.097 4359 F CA 0.935 58.941 58.000 0.010 0.000 1.264 4359 F CB -0.068 38.937 39.000 0.009 0.000 1.001 4359 F HN 0.055 nan 8.300 nan 0.000 0.479 4360 I N -0.319 120.374 120.570 0.205 0.000 2.226 4360 I HA -0.232 3.938 4.170 0.000 0.000 0.245 4360 I C 2.254 178.427 176.117 0.093 0.000 1.100 4360 I CA 1.142 62.518 61.300 0.127 0.000 1.374 4360 I CB -0.371 37.687 38.000 0.096 0.000 1.057 4360 I HN 0.096 nan 8.210 nan 0.000 0.413 4361 E N 0.277 120.518 120.200 0.069 0.000 2.150 4361 E HA -0.257 4.093 4.350 0.000 0.000 0.193 4361 E C 2.018 178.636 176.600 0.030 0.000 0.985 4361 E CA 0.973 57.400 56.400 0.045 0.000 0.814 4361 E CB -0.201 29.513 29.700 0.023 0.000 0.752 4361 E HN 0.433 nan 8.360 nan 0.000 0.466 4362 Q N 1.202 121.012 119.800 0.017 0.000 2.084 4362 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 4362 Q C 1.826 177.844 176.000 0.029 0.000 0.978 4362 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 4362 Q CB 0.039 28.753 28.738 -0.041 0.000 0.898 4362 Q HN 0.095 nan 8.270 nan 0.000 0.426 4363 E N 0.219 120.459 120.200 0.067 0.000 2.150 4363 E HA -0.149 4.201 4.350 0.000 0.000 0.193 4363 E C 1.823 178.462 176.600 0.065 0.000 0.985 4363 E CA 0.885 57.327 56.400 0.070 0.000 0.814 4363 E CB 0.000 29.754 29.700 0.089 0.000 0.752 4363 E HN 0.487 nan 8.360 nan 0.000 0.466 4364 E N 0.925 121.174 120.200 0.082 0.000 2.072 4364 E HA -0.162 4.188 4.350 0.000 0.000 0.191 4364 E C 2.024 178.635 176.600 0.018 0.000 0.985 4364 E CA 0.738 57.213 56.400 0.125 0.000 0.801 4364 E CB -0.147 29.645 29.700 0.154 0.000 0.750 4364 E HN 0.222 nan 8.360 nan 0.000 0.452 4365 K N 0.507 120.899 120.400 -0.014 0.000 2.057 4365 K HA -0.092 4.228 4.320 0.000 0.000 0.207 4365 K C 2.282 178.821 176.600 -0.102 0.000 1.049 4365 K CA 1.075 57.318 56.287 -0.072 0.000 0.931 4365 K CB -0.044 32.431 32.500 -0.042 0.000 0.714 4365 K HN 0.014 nan 8.250 nan 0.000 0.440 4366 M N 0.428 119.995 119.600 -0.055 0.000 2.065 4366 M HA -0.212 4.268 4.480 0.000 0.000 0.259 4366 M C 2.214 178.467 176.300 -0.079 0.000 1.069 4366 M CA 1.389 56.660 55.300 -0.047 0.000 1.110 4366 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 4366 M HN 0.191 nan 8.290 nan 0.000 0.405 4367 L N 0.224 121.398 121.223 -0.082 0.000 2.109 4367 L HA -0.095 4.245 4.340 0.000 0.000 0.207 4367 L C 2.278 178.971 176.870 -0.296 0.000 1.086 4367 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 4367 L CB -0.619 41.475 42.059 0.058 0.000 0.910 4367 L HN 0.173 nan 8.230 nan 0.000 0.437 4368 K N -0.664 119.353 120.400 -0.638 0.000 2.063 4368 K HA -0.204 4.116 4.320 0.000 0.000 0.208 4368 K C 1.591 177.959 176.600 -0.386 0.000 1.048 4368 K CA 1.820 57.546 56.287 -0.934 0.000 0.928 4368 K CB -0.060 31.908 32.500 -0.886 0.000 0.713 4368 K HN 0.336 nan 8.250 nan 0.000 0.442 4369 D N 0.368 120.626 120.400 -0.237 0.000 2.144 4369 D HA -0.129 4.511 4.640 0.000 0.000 0.200 4369 D C 1.906 178.149 176.300 -0.096 0.000 0.978 4369 D CA 1.112 55.033 54.000 -0.132 0.000 0.833 4369 D CB -0.048 40.696 40.800 -0.092 0.000 0.961 4369 D HN 0.295 nan 8.370 nan 0.000 0.470 4370 M N 0.032 119.576 119.600 -0.093 0.000 2.080 4370 M HA -0.155 4.325 4.480 0.000 0.000 0.260 4370 M C 2.275 178.551 176.300 -0.040 0.000 1.068 4370 M CA 1.079 56.347 55.300 -0.053 0.000 1.109 4370 M CB -0.212 32.365 32.600 -0.038 0.000 1.342 4370 M HN -0.103 nan 8.290 nan 0.000 0.405 4371 V N 0.194 120.075 119.914 -0.054 0.000 2.427 4371 V HA -0.200 3.920 4.120 0.000 0.000 0.248 4371 V C 2.590 178.671 176.094 -0.022 0.000 1.051 4371 V CA 1.804 64.092 62.300 -0.019 0.000 1.048 4371 V CB -1.117 30.717 31.823 0.018 0.000 0.666 4371 V HN 0.521 nan 8.190 nan 0.000 0.456 4372 A N -0.429 122.360 122.820 -0.051 0.000 1.978 4372 A HA -0.199 4.121 4.320 0.000 0.000 0.220 4372 A C 2.189 179.758 177.584 -0.024 0.000 1.170 4372 A CA 1.616 53.630 52.037 -0.037 0.000 0.636 4372 A CB -0.318 18.649 19.000 -0.056 0.000 0.810 4372 A HN 0.536 nan 8.150 nan 0.000 0.448 4373 E N -0.119 120.066 120.200 -0.025 0.000 2.107 4373 E HA -0.074 4.276 4.350 0.000 0.000 0.191 4373 E C 1.979 178.575 176.600 -0.007 0.000 0.982 4373 E CA 0.835 57.226 56.400 -0.015 0.000 0.809 4373 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 4373 E HN 0.741 nan 8.360 nan 0.000 0.459 4374 I N 1.350 121.917 120.570 -0.005 0.000 2.226 4374 I HA -0.247 3.923 4.170 0.000 0.000 0.245 4374 I C 2.635 178.755 176.117 0.004 0.000 1.100 4374 I CA 1.040 62.341 61.300 0.002 0.000 1.374 4374 I CB -0.257 37.746 38.000 0.004 0.000 1.057 4374 I HN -0.019 nan 8.210 nan 0.000 0.413 4375 K N 1.663 122.064 120.400 0.002 0.000 2.057 4375 K HA -0.141 4.179 4.320 0.000 0.000 0.207 4375 K C 2.125 178.727 176.600 0.003 0.000 1.049 4375 K CA 1.758 58.047 56.287 0.004 0.000 0.931 4375 K CB -0.241 32.262 32.500 0.005 0.000 0.714 4375 K HN 0.296 nan 8.250 nan 0.000 0.440 4376 A N 0.624 123.444 122.820 -0.000 0.000 2.019 4376 A HA -0.107 4.213 4.320 0.000 0.000 0.219 4376 A C 2.202 179.788 177.584 0.003 0.000 1.164 4376 A CA 1.962 53.999 52.037 -0.000 0.000 0.644 4376 A CB -0.468 18.530 19.000 -0.004 0.000 0.805 4376 A HN 0.380 nan 8.150 nan 0.000 0.449 4377 S N -1.721 113.982 115.700 0.005 0.000 2.419 4377 S HA 0.205 4.675 4.470 0.000 0.000 0.233 4377 S C 1.648 176.254 174.600 0.011 0.000 1.016 4377 S CA 1.304 59.509 58.200 0.008 0.000 0.974 4377 S CB -0.200 63.007 63.200 0.010 0.000 0.786 4377 S HN 1.675 nan 8.310 nan 0.000 0.492 4378 G N 0.668 109.474 108.800 0.010 0.000 2.179 4378 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 4378 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 4378 G C 0.135 175.043 174.900 0.014 0.000 0.990 4378 G CA -0.124 44.983 45.100 0.011 0.000 0.646 4378 G HN 0.859 nan 8.290 nan 0.000 0.517 4379 A N 0.510 123.338 122.820 0.014 0.000 2.425 4379 A HA 0.598 4.918 4.320 0.000 0.000 0.249 4379 A C 1.082 178.671 177.584 0.008 0.000 1.084 4379 A CA 1.036 53.083 52.037 0.016 0.000 0.781 4379 A CB 0.256 19.266 19.000 0.017 0.000 1.019 4379 A HN 1.217 nan 8.150 nan 0.000 0.490 4380 N N 0.049 118.753 118.700 0.007 0.000 2.067 4380 N HA 0.113 4.853 4.740 0.000 0.000 0.227 4380 N C -0.857 174.640 175.510 -0.022 0.000 1.348 4380 N CA 0.210 53.258 53.050 -0.004 0.000 0.879 4380 N CB 0.311 38.800 38.487 0.003 0.000 1.109 4380 N HN 0.260 nan 8.380 nan 0.000 0.501 4381 V N 1.621 121.523 119.914 -0.021 0.000 2.540 4381 V HA 0.619 4.739 4.120 0.000 0.000 0.302 4381 V C -1.262 174.777 176.094 -0.092 0.000 1.035 4381 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 4381 V CB 1.880 33.701 31.823 -0.002 0.000 0.992 4381 V HN 0.217 nan 8.190 nan 0.000 0.428 4382 L N 5.294 126.368 121.223 -0.247 0.000 2.438 4382 L HA 0.732 5.072 4.340 0.000 0.000 0.270 4382 L C -1.658 174.977 176.870 -0.391 0.000 0.972 4382 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 4382 L CB 1.729 43.734 42.059 -0.090 0.000 1.273 4382 L HN 0.466 nan 8.230 nan 0.000 0.405 4383 F N 4.558 124.518 119.950 0.017 0.000 2.449 4383 F HA 0.559 5.085 4.527 -0.000 0.000 0.342 4383 F C 0.006 175.814 175.800 0.013 0.000 1.127 4383 F CA -0.411 57.599 58.000 0.016 0.000 0.975 4383 F CB 1.701 40.711 39.000 0.016 0.000 1.146 4383 F HN 0.564 nan 8.300 nan 0.000 0.444 4384 C N 4.737 124.130 119.300 0.154 0.000 2.322 4384 C HA 0.276 4.736 4.460 0.000 0.000 0.324 4384 C C 1.523 176.570 174.990 0.096 0.000 1.284 4384 C CA -0.418 58.658 59.018 0.096 0.000 1.606 4384 C CB 0.979 28.749 27.740 0.049 0.000 2.251 4384 C HN 0.958 nan 8.230 nan 0.000 0.502 4385 Q N 3.106 122.950 119.800 0.074 0.000 2.119 4385 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 4385 Q C 0.819 176.844 176.000 0.042 0.000 0.972 4385 Q CA 1.589 57.425 55.803 0.055 0.000 0.847 4385 Q CB 0.171 28.933 28.738 0.038 0.000 0.903 4385 Q HN 0.756 nan 8.270 nan 0.000 0.433 4386 K N -1.070 119.352 120.400 0.036 0.000 2.520 4386 K HA 0.417 4.737 4.320 0.000 0.000 0.256 4386 K C 0.327 176.942 176.600 0.025 0.000 1.033 4386 K CA -0.183 56.120 56.287 0.026 0.000 1.007 4386 K CB 0.070 32.582 32.500 0.020 0.000 1.330 4386 K HN 0.102 nan 8.250 nan 0.000 0.507 4387 G N 0.352 109.161 108.800 0.017 0.000 2.569 4387 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 4387 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 4387 G C -0.486 174.417 174.900 0.006 0.000 1.216 4387 G CA -0.498 44.608 45.100 0.010 0.000 0.845 4387 G HN 0.367 nan 8.290 nan 0.000 0.568 4388 I N 0.919 121.488 120.570 -0.003 0.000 2.439 4388 I HA 0.150 4.320 4.170 0.000 0.000 0.285 4388 I C -0.410 175.688 176.117 -0.031 0.000 1.021 4388 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 4388 I CB 1.935 39.926 38.000 -0.014 0.000 1.242 4388 I HN 0.422 nan 8.210 nan 0.000 0.439 4389 D N 5.228 125.608 120.400 -0.034 0.000 2.455 4389 D HA -0.054 4.586 4.640 0.000 0.000 0.241 4389 D C 0.668 176.889 176.300 -0.130 0.000 1.138 4389 D CA 0.174 54.138 54.000 -0.061 0.000 0.877 4389 D CB 1.314 42.089 40.800 -0.041 0.000 1.187 4389 D HN 0.480 nan 8.370 nan 0.000 0.451 4390 D N 2.861 123.152 120.400 -0.182 0.000 2.172 4390 D HA -0.202 4.438 4.640 0.000 0.000 0.196 4390 D C 1.746 177.554 176.300 -0.820 0.000 0.999 4390 D CA 0.667 54.445 54.000 -0.370 0.000 0.856 4390 D CB 0.005 40.641 40.800 -0.274 0.000 0.934 4390 D HN 0.372 nan 8.370 nan 0.000 0.453 4391 L N 0.622 121.526 121.223 -0.532 0.000 2.083 4391 L HA -0.071 4.269 4.340 0.000 0.000 0.209 4391 L C 2.105 178.855 176.870 -0.199 0.000 1.083 4391 L CA 1.725 56.311 54.840 -0.423 0.000 0.752 4391 L CB -0.696 41.305 42.059 -0.095 0.000 0.899 4391 L HN -0.013 nan 8.230 nan 0.000 0.433 4392 A N -1.174 121.609 122.820 -0.061 0.000 1.930 4392 A HA -0.241 4.079 4.320 0.000 0.000 0.217 4392 A C 2.167 179.769 177.584 0.030 0.000 1.175 4392 A CA 1.694 53.776 52.037 0.074 0.000 0.627 4392 A CB -0.536 18.487 19.000 0.038 0.000 0.815 4392 A HN 0.651 nan 8.150 nan 0.000 0.443 4393 Q N -1.055 118.697 119.800 -0.081 0.000 2.170 4393 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 4393 Q C 1.786 177.814 176.000 0.047 0.000 0.976 4393 Q CA 1.562 57.346 55.803 -0.033 0.000 0.858 4393 Q CB -0.339 28.367 28.738 -0.053 0.000 0.907 4393 Q HN 0.891 nan 8.270 nan 0.000 0.433 4394 H N -1.342 117.669 119.070 -0.098 0.000 2.389 4394 H HA -0.124 4.432 4.556 0.000 0.000 0.299 4394 H C 1.306 176.519 175.328 -0.192 0.000 1.081 4394 H CA 1.029 56.961 56.048 -0.194 0.000 1.345 4394 H CB 0.109 29.670 29.762 -0.335 0.000 1.393 4394 H HN 0.305 nan 8.280 nan 0.000 0.520 4395 Y N 0.383 120.748 120.300 0.109 0.000 2.365 4395 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 4395 Y C 2.404 178.322 175.900 0.029 0.000 1.119 4395 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 4395 Y CB 0.117 38.597 38.460 0.033 0.000 1.026 4395 Y HN 0.072 nan 8.280 nan 0.000 0.549 4396 L N -0.616 120.707 121.223 0.166 0.000 2.083 4396 L HA -0.246 4.094 4.340 0.000 0.000 0.209 4396 L C 2.649 179.552 176.870 0.055 0.000 1.083 4396 L CA 1.069 55.959 54.840 0.083 0.000 0.752 4396 L CB -0.630 41.456 42.059 0.044 0.000 0.899 4396 L HN 0.240 nan 8.230 nan 0.000 0.433 4397 A N -0.165 122.687 122.820 0.053 0.000 1.969 4397 A HA -0.237 4.083 4.320 0.000 0.000 0.218 4397 A C 2.371 179.975 177.584 0.032 0.000 1.169 4397 A CA 1.694 53.750 52.037 0.031 0.000 0.635 4397 A CB -0.383 18.630 19.000 0.023 0.000 0.810 4397 A HN 0.322 nan 8.150 nan 0.000 0.445 4398 K N -0.365 120.069 120.400 0.058 0.000 2.097 4398 K HA -0.145 4.175 4.320 0.000 0.000 0.206 4398 K C 1.030 177.659 176.600 0.047 0.000 1.049 4398 K CA 1.512 57.835 56.287 0.060 0.000 0.933 4398 K CB -0.002 32.565 32.500 0.112 0.000 0.717 4398 K HN 0.353 nan 8.250 nan 0.000 0.442 4399 E N -0.760 119.469 120.200 0.048 0.000 2.474 4399 E HA 0.059 4.409 4.350 0.000 0.000 0.195 4399 E C 0.603 177.214 176.600 0.018 0.000 1.039 4399 E CA 0.629 57.047 56.400 0.031 0.000 0.881 4399 E CB 0.880 30.598 29.700 0.031 0.000 0.970 4399 E HN 0.540 nan 8.360 nan 0.000 0.486 4400 G N 2.117 110.927 108.800 0.016 0.000 2.176 4400 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 4400 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 4400 G C 0.231 175.129 174.900 -0.002 0.000 1.024 4400 G CA 0.107 45.211 45.100 0.005 0.000 0.755 4400 G HN 0.273 nan 8.290 nan 0.000 0.507 4401 I N 0.993 121.562 120.570 -0.002 0.000 2.352 4401 I HA 0.378 4.548 4.170 0.000 0.000 0.290 4401 I C 1.125 177.219 176.117 -0.037 0.000 1.036 4401 I CA -0.955 60.334 61.300 -0.017 0.000 1.336 4401 I CB 1.374 39.368 38.000 -0.011 0.000 1.407 4401 I HN 0.165 nan 8.210 nan 0.000 0.497 4402 V N 4.069 123.947 119.914 -0.061 0.000 2.546 4402 V HA 0.889 5.009 4.120 0.000 0.000 0.284 4402 V C 0.116 176.108 176.094 -0.170 0.000 1.050 4402 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 4402 V CB 1.118 32.889 31.823 -0.088 0.000 0.990 4402 V HN 0.830 nan 8.190 nan 0.000 0.474 4403 A N 3.710 126.425 122.820 -0.174 0.000 2.539 4403 A HA 1.020 5.340 4.320 0.000 0.000 0.296 4403 A C -0.356 177.101 177.584 -0.212 0.000 1.073 4403 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 4403 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 4403 A HN 2.417 nan 8.150 nan 0.000 0.405 4404 A N 1.526 124.195 122.820 -0.253 0.000 2.381 4404 A HA 0.741 5.061 4.320 0.000 0.000 0.299 4404 A C -0.092 177.499 177.584 0.012 0.000 1.049 4404 A CA -0.595 51.392 52.037 -0.083 0.000 0.715 4404 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 4404 A HN 1.276 nan 8.150 nan 0.000 0.428 4405 R N 2.018 122.536 120.500 0.029 0.000 2.602 4405 R HA 0.696 5.036 4.340 0.000 0.000 0.237 4405 R C 0.373 176.710 176.300 0.062 0.000 1.219 4405 R CA -0.153 55.972 56.100 0.042 0.000 1.121 4405 R CB 0.341 30.651 30.300 0.017 0.000 1.408 4405 R HN 1.067 nan 8.270 nan 0.000 0.559 4406 R N -1.199 119.331 120.500 0.049 0.000 3.502 4406 R HA -0.130 4.210 4.340 0.000 0.000 0.266 4406 R C -1.234 175.099 176.300 0.056 0.000 1.077 4406 R CA 0.706 56.833 56.100 0.044 0.000 0.718 4406 R CB -2.557 27.762 30.300 0.032 0.000 1.120 4406 R HN 0.291 nan 8.270 nan 0.000 0.457 4407 V N 1.284 121.244 119.914 0.077 0.000 2.614 4407 V HA 0.082 4.202 4.120 0.000 0.000 0.291 4407 V C 1.179 177.298 176.094 0.042 0.000 1.049 4407 V CA -0.177 62.172 62.300 0.081 0.000 1.038 4407 V CB 1.410 33.310 31.823 0.129 0.000 0.980 4407 V HN 0.329 nan 8.190 nan 0.000 0.481 4408 K N 3.073 123.487 120.400 0.024 0.000 2.448 4408 K HA 0.024 4.344 4.320 0.000 0.000 0.278 4408 K C 1.175 177.774 176.600 -0.001 0.000 1.009 4408 K CA -0.289 56.003 56.287 0.009 0.000 0.995 4408 K CB 0.525 33.025 32.500 0.001 0.000 0.917 4408 K HN 0.616 nan 8.250 nan 0.000 0.481 4409 K N 2.310 122.711 120.400 0.001 0.000 2.113 4409 K HA -0.188 4.132 4.320 0.000 0.000 0.208 4409 K C 1.853 178.443 176.600 -0.016 0.000 1.047 4409 K CA 2.127 58.412 56.287 -0.004 0.000 0.928 4409 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 4409 K HN 0.580 nan 8.250 nan 0.000 0.446 4410 S N 0.163 115.852 115.700 -0.018 0.000 2.370 4410 S HA -0.154 4.316 4.470 0.000 0.000 0.226 4410 S C 1.345 175.920 174.600 -0.042 0.000 1.033 4410 S CA 1.759 59.944 58.200 -0.026 0.000 1.011 4410 S CB -0.392 62.795 63.200 -0.022 0.000 0.852 4410 S HN 0.428 nan 8.310 nan 0.000 0.457 4411 D N 0.418 120.788 120.400 -0.050 0.000 2.234 4411 D HA 0.025 4.665 4.640 0.000 0.000 0.205 4411 D C 1.931 178.160 176.300 -0.118 0.000 0.962 4411 D CA 0.608 54.557 54.000 -0.085 0.000 0.855 4411 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 4411 D HN 0.390 nan 8.370 nan 0.000 0.500 4412 M N 0.750 120.302 119.600 -0.080 0.000 2.159 4412 M HA -0.098 4.382 4.480 0.000 0.000 0.263 4412 M C 1.828 178.089 176.300 -0.064 0.000 1.063 4412 M CA 1.233 56.490 55.300 -0.072 0.000 1.110 4412 M CB -0.725 31.863 32.600 -0.020 0.000 1.374 4412 M HN 0.072 nan 8.290 nan 0.000 0.411 4413 E N -0.073 120.096 120.200 -0.051 0.000 2.112 4413 E HA -0.127 4.224 4.350 0.000 0.000 0.190 4413 E C 2.017 178.584 176.600 -0.054 0.000 0.979 4413 E CA 0.791 57.166 56.400 -0.042 0.000 0.814 4413 E CB 0.015 29.697 29.700 -0.030 0.000 0.762 4413 E HN 0.492 nan 8.360 nan 0.000 0.460 4414 K N 0.574 120.931 120.400 -0.070 0.000 2.148 4414 K HA -0.075 4.245 4.320 0.000 0.000 0.204 4414 K C 2.100 178.642 176.600 -0.098 0.000 1.050 4414 K CA 0.749 56.989 56.287 -0.078 0.000 0.942 4414 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 4414 K HN 0.098 nan 8.250 nan 0.000 0.446 4415 L N 0.288 121.429 121.223 -0.136 0.000 2.072 4415 L HA -0.132 4.208 4.340 0.000 0.000 0.205 4415 L C 2.559 179.376 176.870 -0.088 0.000 1.079 4415 L CA 0.971 55.712 54.840 -0.164 0.000 0.752 4415 L CB -0.507 41.375 42.059 -0.295 0.000 0.906 4415 L HN 0.182 nan 8.230 nan 0.000 0.436 4416 A N 0.195 122.978 122.820 -0.062 0.000 1.902 4416 A HA -0.207 4.113 4.320 0.000 0.000 0.217 4416 A C 2.328 179.900 177.584 -0.020 0.000 1.181 4416 A CA 1.637 53.657 52.037 -0.027 0.000 0.623 4416 A CB -0.286 18.703 19.000 -0.019 0.000 0.818 4416 A HN 0.306 nan 8.150 nan 0.000 0.443 4417 K N -0.431 119.952 120.400 -0.028 0.000 2.031 4417 K HA 0.028 4.348 4.320 0.000 0.000 0.205 4417 K C 2.386 178.978 176.600 -0.013 0.000 1.049 4417 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 4417 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 4417 K HN 0.416 nan 8.250 nan 0.000 0.438 4418 A N 1.189 123.992 122.820 -0.028 0.000 1.855 4418 A HA -0.146 4.174 4.320 0.000 0.000 0.215 4418 A C 2.305 179.882 177.584 -0.011 0.000 1.191 4418 A CA 2.226 54.248 52.037 -0.025 0.000 0.613 4418 A CB -1.063 17.908 19.000 -0.049 0.000 0.829 4418 A HN 0.469 nan 8.150 nan 0.000 0.442 4419 T N -4.240 110.306 114.554 -0.015 0.000 3.043 4419 T HA 0.352 4.702 4.350 0.000 0.000 0.263 4419 T C 1.459 176.171 174.700 0.019 0.000 1.094 4419 T CA 1.238 63.340 62.100 0.004 0.000 1.127 4419 T CB -0.183 68.690 68.868 0.008 0.000 0.905 4419 T HN 1.814 nan 8.240 nan 0.000 0.490 4420 G N 1.439 110.248 108.800 0.016 0.000 2.143 4420 G HA2 -0.036 3.924 3.960 0.000 0.000 0.248 4420 G HA3 -0.036 3.924 3.960 0.000 0.000 0.248 4420 G C 0.258 175.171 174.900 0.022 0.000 0.991 4420 G CA 0.022 45.136 45.100 0.023 0.000 0.689 4420 G HN 1.208 nan 8.290 nan 0.000 0.522 4421 A N -0.385 122.447 122.820 0.019 0.000 2.445 4421 A HA 0.595 4.915 4.320 0.000 0.000 0.242 4421 A C 0.377 177.974 177.584 0.021 0.000 1.075 4421 A CA 0.611 52.664 52.037 0.028 0.000 0.777 4421 A CB 0.397 19.420 19.000 0.038 0.000 1.013 4421 A HN 0.912 nan 8.150 nan 0.000 0.493 4422 N N 1.425 120.140 118.700 0.025 0.000 2.417 4422 N HA 0.400 5.140 4.740 0.000 0.000 0.274 4422 N C -0.868 174.656 175.510 0.023 0.000 0.987 4422 N CA -0.373 52.688 53.050 0.019 0.000 0.912 4422 N CB 1.318 39.815 38.487 0.017 0.000 1.177 4422 N HN 0.334 nan 8.380 nan 0.000 0.490 4423 V N 4.056 123.982 119.914 0.019 0.000 2.540 4423 V HA 0.101 4.221 4.120 0.000 0.000 0.297 4423 V C 0.487 176.593 176.094 0.021 0.000 1.024 4423 V CA 0.150 62.464 62.300 0.022 0.000 1.105 4423 V CB -0.125 31.708 31.823 0.016 0.000 0.938 4423 V HN 0.591 nan 8.190 nan 0.000 0.482 4424 I N 4.284 124.869 120.570 0.025 0.000 2.740 4424 I HA 0.472 4.642 4.170 0.000 0.000 0.303 4424 I C 1.107 177.236 176.117 0.020 0.000 1.044 4424 I CA 0.323 61.635 61.300 0.020 0.000 1.064 4424 I CB 2.433 40.446 38.000 0.021 0.000 1.249 4424 I HN 0.784 nan 8.210 nan 0.000 0.433 4425 T N 2.353 116.916 114.554 0.015 0.000 2.904 4425 T HA 0.187 4.537 4.350 0.000 0.000 0.243 4425 T C 0.781 175.489 174.700 0.013 0.000 1.024 4425 T CA 0.282 62.391 62.100 0.014 0.000 1.158 4425 T CB -0.341 68.533 68.868 0.011 0.000 0.867 4425 T HN 0.429 nan 8.240 nan 0.000 0.429 4426 N N 0.634 119.340 118.700 0.010 0.000 2.456 4426 N HA 0.364 5.104 4.740 0.000 0.000 0.288 4426 N C 0.950 176.466 175.510 0.009 0.000 1.059 4426 N CA -0.584 52.471 53.050 0.008 0.000 0.946 4426 N CB 1.105 39.595 38.487 0.006 0.000 1.150 4426 N HN 0.288 nan 8.380 nan 0.000 0.479 4427 I N 2.206 122.780 120.570 0.007 0.000 2.264 4427 I HA -0.235 3.935 4.170 0.000 0.000 0.248 4427 I C 1.956 178.075 176.117 0.002 0.000 1.111 4427 I CA 0.899 62.202 61.300 0.005 0.000 1.382 4427 I CB 0.028 38.029 38.000 0.002 0.000 1.060 4427 I HN 0.451 nan 8.210 nan 0.000 0.418 4428 K N 0.407 120.807 120.400 0.000 0.000 2.211 4428 K HA -0.157 4.163 4.320 0.000 0.000 0.203 4428 K C 1.425 178.026 176.600 0.001 0.000 1.050 4428 K CA 1.216 57.502 56.287 -0.002 0.000 0.945 4428 K CB -0.322 32.176 32.500 -0.003 0.000 0.732 4428 K HN 0.335 nan 8.250 nan 0.000 0.451 4429 D N 0.585 120.987 120.400 0.004 0.000 2.249 4429 D HA -0.064 4.576 4.640 0.000 0.000 0.205 4429 D C 0.579 176.884 176.300 0.008 0.000 0.962 4429 D CA 0.033 54.036 54.000 0.006 0.000 0.860 4429 D CB -0.172 40.633 40.800 0.007 0.000 0.955 4429 D HN -0.014 nan 8.370 nan 0.000 0.505 4430 L N 1.579 122.808 121.223 0.010 0.000 2.628 4430 L HA 0.024 4.364 4.340 0.000 0.000 0.274 4430 L C 0.328 177.205 176.870 0.011 0.000 1.209 4430 L CA 0.236 55.084 54.840 0.013 0.000 0.930 4430 L CB 0.042 42.110 42.059 0.015 0.000 1.183 4430 L HN -0.056 nan 8.230 nan 0.000 0.492 4431 S N 3.354 119.062 115.700 0.013 0.000 2.704 4431 S HA 0.800 5.270 4.470 0.000 0.000 0.296 4431 S C 0.853 175.462 174.600 0.015 0.000 1.138 4431 S CA -0.388 57.819 58.200 0.011 0.000 0.875 4431 S CB 1.264 64.469 63.200 0.010 0.000 1.151 4431 S HN 0.812 nan 8.310 nan 0.000 0.500 4432 A N 0.517 123.345 122.820 0.014 0.000 1.978 4432 A HA -0.089 4.231 4.320 0.000 0.000 0.220 4432 A C 2.026 179.620 177.584 0.017 0.000 1.170 4432 A CA 1.376 53.422 52.037 0.016 0.000 0.636 4432 A CB -0.925 18.083 19.000 0.014 0.000 0.810 4432 A HN 0.738 nan 8.150 nan 0.000 0.448 4433 Q N 0.065 119.874 119.800 0.015 0.000 2.437 4433 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 4433 Q C 0.641 176.651 176.000 0.017 0.000 0.972 4433 Q CA 1.158 56.970 55.803 0.015 0.000 0.903 4433 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 4433 Q HN 0.682 nan 8.270 nan 0.000 0.486 4434 D N -0.280 120.131 120.400 0.019 0.000 2.346 4434 D HA 0.076 4.716 4.640 0.000 0.000 0.206 4434 D C 0.489 176.806 176.300 0.029 0.000 1.001 4434 D CA 0.092 54.105 54.000 0.022 0.000 0.871 4434 D CB 0.650 41.463 40.800 0.021 0.000 0.943 4434 D HN 0.198 nan 8.370 nan 0.000 0.518 4435 L N 1.034 122.274 121.223 0.030 0.000 2.380 4435 L HA 0.381 4.721 4.340 0.000 0.000 0.273 4435 L C 1.154 178.046 176.870 0.038 0.000 1.138 4435 L CA -0.452 54.410 54.840 0.037 0.000 0.832 4435 L CB 1.213 43.293 42.059 0.034 0.000 1.124 4435 L HN -0.144 nan 8.230 nan 0.000 0.454 4436 G N 1.209 110.036 108.800 0.046 0.000 2.491 4436 G HA2 0.456 4.416 3.960 0.000 0.000 0.327 4436 G HA3 0.456 4.416 3.960 0.000 0.000 0.327 4436 G C -1.187 173.740 174.900 0.045 0.000 1.189 4436 G CA -0.489 44.636 45.100 0.042 0.000 0.956 4436 G HN 0.533 nan 8.290 nan 0.000 0.491 4437 D N -0.172 120.251 120.400 0.038 0.000 2.248 4437 D HA 0.594 5.234 4.640 0.000 0.000 0.246 4437 D C -0.353 175.965 176.300 0.030 0.000 1.027 4437 D CA 0.029 54.049 54.000 0.033 0.000 0.853 4437 D CB 2.079 42.894 40.800 0.025 0.000 1.243 4437 D HN 0.553 nan 8.370 nan 0.000 0.462 4438 A N 0.586 123.428 122.820 0.037 0.000 2.398 4438 A HA 0.604 4.924 4.320 0.000 0.000 0.301 4438 A C 0.997 178.599 177.584 0.031 0.000 1.041 4438 A CA -0.485 51.573 52.037 0.036 0.000 0.711 4438 A CB 1.656 20.694 19.000 0.063 0.000 1.240 4438 A HN 0.515 nan 8.150 nan 0.000 0.420 4439 G N 0.653 109.464 108.800 0.019 0.000 2.422 4439 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 4439 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 4439 G C 0.326 175.243 174.900 0.029 0.000 1.146 4439 G CA 1.691 46.800 45.100 0.016 0.000 0.769 4439 G HN 1.137 nan 8.290 nan 0.000 0.547 4440 L N -0.072 121.177 121.223 0.043 0.000 2.505 4440 L HA 0.600 4.940 4.340 0.000 0.000 0.266 4440 L C -1.313 175.607 176.870 0.085 0.000 0.954 4440 L CA -0.753 54.121 54.840 0.056 0.000 0.852 4440 L CB 2.504 44.595 42.059 0.053 0.000 1.282 4440 L HN -0.143 nan 8.230 nan 0.000 0.403 4441 V N 4.486 124.453 119.914 0.089 0.000 2.350 4441 V HA 0.633 4.753 4.120 0.000 0.000 0.285 4441 V C -0.412 175.739 176.094 0.095 0.000 1.014 4441 V CA -0.420 61.954 62.300 0.124 0.000 0.831 4441 V CB 1.322 33.229 31.823 0.140 0.000 1.000 4441 V HN 0.823 nan 8.190 nan 0.000 0.433 4442 E N 3.214 123.480 120.200 0.110 0.000 2.308 4442 E HA 0.391 4.741 4.350 0.000 0.000 0.275 4442 E C -0.965 175.642 176.600 0.012 0.000 0.890 4442 E CA -0.681 55.747 56.400 0.047 0.000 0.754 4442 E CB 2.168 31.883 29.700 0.024 0.000 1.207 4442 E HN 0.734 nan 8.360 nan 0.000 0.426 4443 E N 4.136 124.321 120.200 -0.026 0.000 2.180 4443 E HA 0.216 4.566 4.350 0.000 0.000 0.283 4443 E C -0.896 175.612 176.600 -0.153 0.000 1.061 4443 E CA -0.151 56.212 56.400 -0.061 0.000 0.861 4443 E CB 0.640 30.321 29.700 -0.032 0.000 1.056 4443 E HN 0.335 nan 8.360 nan 0.000 0.407 4444 R N 3.681 124.009 120.500 -0.287 0.000 2.686 4444 R HA 0.396 4.736 4.340 0.000 0.000 0.283 4444 R C -0.802 175.323 176.300 -0.292 0.000 0.978 4444 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 4444 R CB 2.007 31.876 30.300 -0.718 0.000 1.192 4444 R HN 0.325 nan 8.270 nan 0.000 0.457 4445 K N 2.391 122.678 120.400 -0.188 0.000 2.213 4445 K HA 0.414 4.734 4.320 0.000 0.000 0.270 4445 K C -0.773 175.776 176.600 -0.085 0.000 1.002 4445 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 4445 K CB 1.274 33.736 32.500 -0.064 0.000 1.093 4445 K HN 0.296 nan 8.250 nan 0.000 0.454 4446 I N 1.945 122.492 120.570 -0.038 0.000 2.390 4446 I HA 0.086 4.256 4.170 0.000 0.000 0.283 4446 I C 0.044 176.170 176.117 0.015 0.000 1.016 4446 I CA -0.178 61.125 61.300 0.005 0.000 1.151 4446 I CB 1.676 39.718 38.000 0.070 0.000 1.293 4446 I HN 0.578 nan 8.210 nan 0.000 0.458 4447 S N 4.472 120.177 115.700 0.009 0.000 3.581 4447 S HA -0.193 4.277 4.470 0.000 0.000 0.354 4447 S C 1.361 175.965 174.600 0.005 0.000 1.059 4447 S CA 1.065 59.270 58.200 0.009 0.000 1.060 4447 S CB -1.329 61.881 63.200 0.016 0.000 0.908 4447 S HN 1.457 nan 8.310 nan 0.000 0.475 4448 G N 0.438 109.237 108.800 -0.002 0.000 2.358 4448 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 4448 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 4448 G C -0.365 174.532 174.900 -0.004 0.000 1.073 4448 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 4448 G HN 0.606 nan 8.290 nan 0.000 0.509 4449 D N 1.880 122.283 120.400 0.006 0.000 2.412 4449 D HA 0.386 5.026 4.640 0.000 0.000 0.257 4449 D C 0.475 176.780 176.300 0.008 0.000 1.217 4449 D CA 0.899 54.907 54.000 0.014 0.000 0.897 4449 D CB 1.407 42.224 40.800 0.028 0.000 1.132 4449 D HN 0.276 nan 8.370 nan 0.000 0.493 4450 S N 3.431 119.134 115.700 0.005 0.000 2.481 4450 S HA 0.368 4.838 4.470 0.000 0.000 0.276 4450 S C -0.142 174.475 174.600 0.028 0.000 1.247 4450 S CA -0.426 57.771 58.200 -0.005 0.000 1.053 4450 S CB 0.150 63.346 63.200 -0.005 0.000 0.925 4450 S HN 0.315 nan 8.310 nan 0.000 0.491 4451 M N 4.436 124.050 119.600 0.023 0.000 2.619 4451 M HA 0.534 5.014 4.480 0.000 0.000 0.297 4451 M C -1.068 175.304 176.300 0.121 0.000 1.229 4451 M CA -0.651 54.724 55.300 0.125 0.000 0.860 4451 M CB 2.150 34.921 32.600 0.285 0.000 1.741 4451 M HN 0.441 nan 8.290 nan 0.000 0.462 4452 I N 2.000 122.717 120.570 0.246 0.000 2.330 4452 I HA 0.337 4.507 4.170 0.000 0.000 0.289 4452 I C -1.260 175.149 176.117 0.488 0.000 1.001 4452 I CA -0.457 61.010 61.300 0.279 0.000 1.193 4452 I CB 0.894 39.057 38.000 0.273 0.000 1.345 4452 I HN 0.391 nan 8.210 nan 0.000 0.461 4453 F N 6.254 126.244 119.950 0.066 0.000 2.391 4453 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 4453 F C 0.227 176.061 175.800 0.058 0.000 1.122 4453 F CA -0.995 57.032 58.000 0.045 0.000 1.120 4453 F CB 1.311 40.328 39.000 0.028 0.000 1.142 4453 F HN 0.001 nan 8.300 nan 0.000 0.483 4454 V N 4.914 124.926 119.914 0.163 0.000 2.311 4454 V HA 0.363 4.483 4.120 0.000 0.000 0.275 4454 V C -0.247 175.870 176.094 0.039 0.000 1.022 4454 V CA -0.577 61.785 62.300 0.104 0.000 0.830 4454 V CB 0.697 32.552 31.823 0.054 0.000 1.012 4454 V HN 0.786 nan 8.190 nan 0.000 0.452 4455 E N 3.319 123.554 120.200 0.058 0.000 2.433 4455 E HA 0.679 5.030 4.350 0.000 0.000 0.273 4455 E C -0.819 175.793 176.600 0.020 0.000 0.950 4455 E CA -0.910 55.506 56.400 0.027 0.000 0.796 4455 E CB 1.755 31.487 29.700 0.053 0.000 1.330 4455 E HN 0.232 nan 8.360 nan 0.000 0.455 4456 E N -0.946 119.254 120.200 0.001 0.000 2.596 4456 E HA -0.141 4.209 4.350 0.000 0.000 0.272 4456 E C -0.704 175.880 176.600 -0.026 0.000 1.039 4456 E CA 0.477 56.870 56.400 -0.011 0.000 0.804 4456 E CB -2.405 27.296 29.700 0.001 0.000 1.373 4456 E HN 0.597 nan 8.360 nan 0.000 0.404 4457 C N 0.815 120.096 119.300 -0.031 0.000 2.679 4457 C HA 0.050 4.510 4.460 0.000 0.000 0.417 4457 C C 2.285 177.223 174.990 -0.086 0.000 1.302 4457 C CA 0.054 59.049 59.018 -0.039 0.000 1.973 4457 C CB 0.358 28.080 27.740 -0.029 0.000 2.715 4457 C HN 0.388 nan 8.230 nan 0.000 0.628 4458 K N 0.857 121.191 120.400 -0.110 0.000 1.973 4458 K HA -0.068 4.252 4.320 0.000 0.000 0.212 4458 K C 0.447 176.752 176.600 -0.491 0.000 1.047 4458 K CA 1.303 57.425 56.287 -0.276 0.000 0.937 4458 K CB -0.058 32.328 32.500 -0.191 0.000 0.721 4458 K HN 0.686 nan 8.250 nan 0.000 0.440 4459 H N 0.390 119.459 119.070 -0.002 0.000 2.380 4459 H HA 0.244 4.800 4.556 0.000 0.000 0.231 4459 H C -2.501 172.822 175.328 -0.009 0.000 1.415 4459 H CA -1.982 54.063 56.048 -0.005 0.000 1.433 4459 H CB 0.652 30.411 29.762 -0.004 0.000 1.544 4459 H HN 0.197 nan 8.280 nan 0.000 0.503 4460 P HA 0.138 nan 4.420 nan 0.000 0.275 4460 P C 0.380 177.695 177.300 0.024 0.000 1.227 4460 P CA -0.528 62.584 63.100 0.021 0.000 0.781 4460 P CB 1.844 33.538 31.700 -0.010 0.000 0.906 4461 K N 0.618 121.024 120.400 0.010 0.000 2.373 4461 K HA 0.460 4.780 4.320 0.000 0.000 0.202 4461 K C 0.185 176.778 176.600 -0.012 0.000 1.025 4461 K CA 0.042 56.330 56.287 0.003 0.000 1.115 4461 K CB 0.531 33.032 32.500 0.001 0.000 0.858 4461 K HN 0.574 nan 8.250 nan 0.000 0.525 4462 A N -0.204 122.604 122.820 -0.020 0.000 2.520 4462 A HA 0.716 5.036 4.320 0.000 0.000 0.298 4462 A C -1.612 175.948 177.584 -0.041 0.000 1.051 4462 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 4462 A CB 1.776 20.750 19.000 -0.043 0.000 1.281 4462 A HN -0.051 nan 8.150 nan 0.000 0.402 4463 V N 0.867 120.753 119.914 -0.046 0.000 3.007 4463 V HA 0.852 4.972 4.120 0.000 0.000 0.311 4463 V C -0.802 175.252 176.094 -0.068 0.000 1.120 4463 V CA -0.153 62.114 62.300 -0.054 0.000 0.980 4463 V CB 2.661 34.459 31.823 -0.041 0.000 1.033 4463 V HN 1.084 nan 8.190 nan 0.000 0.429 4464 T N 6.603 121.104 114.554 -0.089 0.000 2.848 4464 T HA 0.498 4.848 4.350 0.000 0.000 0.285 4464 T C -0.607 174.031 174.700 -0.103 0.000 0.995 4464 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 4464 T CB 1.328 70.100 68.868 -0.159 0.000 0.976 4464 T HN 0.751 nan 8.240 nan 0.000 0.441 4465 M N 4.538 124.089 119.600 -0.081 0.000 2.114 4465 M HA 0.571 5.051 4.480 0.000 0.000 0.332 4465 M C -1.559 174.704 176.300 -0.060 0.000 1.014 4465 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 4465 M CB 0.726 33.302 32.600 -0.040 0.000 1.551 4465 M HN 0.493 nan 8.290 nan 0.000 0.427 4466 L N 7.516 128.704 121.223 -0.058 0.000 2.257 4466 L HA 0.561 4.901 4.340 0.000 0.000 0.290 4466 L C -1.410 175.457 176.870 -0.005 0.000 1.044 4466 L CA 0.025 54.845 54.840 -0.034 0.000 0.810 4466 L CB 0.682 42.725 42.059 -0.027 0.000 1.193 4466 L HN 0.697 nan 8.230 nan 0.000 0.425 4467 I N 5.895 126.465 120.570 -0.001 0.000 2.336 4467 I HA 0.495 4.665 4.170 0.000 0.000 0.292 4467 I C 0.060 176.186 176.117 0.015 0.000 0.991 4467 I CA -0.666 60.638 61.300 0.006 0.000 1.227 4467 I CB 0.803 38.803 38.000 0.000 0.000 1.366 4467 I HN 0.551 nan 8.210 nan 0.000 0.466 4468 R N 3.960 124.471 120.500 0.019 0.000 2.902 4468 R HA 0.912 5.252 4.340 0.000 0.000 0.258 4468 R C -0.272 176.040 176.300 0.019 0.000 1.071 4468 R CA -1.064 55.050 56.100 0.022 0.000 1.024 4468 R CB 1.942 32.259 30.300 0.027 0.000 1.184 4468 R HN 0.859 nan 8.270 nan 0.000 0.492 4469 G N -1.107 107.705 108.800 0.021 0.000 2.328 4469 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 4469 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 4469 G C -0.003 174.911 174.900 0.023 0.000 1.435 4469 G CA -0.079 45.034 45.100 0.022 0.000 0.865 4469 G HN 0.390 nan 8.290 nan 0.000 0.601 4470 T N -0.812 113.757 114.554 0.025 0.000 2.995 4470 T HA 0.305 4.655 4.350 0.000 0.000 0.269 4470 T C 0.830 175.550 174.700 0.033 0.000 1.091 4470 T CA 2.312 64.428 62.100 0.026 0.000 1.128 4470 T CB -0.248 68.634 68.868 0.025 0.000 0.891 4470 T HN 0.764 nan 8.240 nan 0.000 0.492 4471 T N 0.091 114.670 114.554 0.041 0.000 2.889 4471 T HA 0.305 4.655 4.350 0.000 0.000 0.315 4471 T C 0.260 174.988 174.700 0.047 0.000 1.291 4471 T CA -0.652 61.484 62.100 0.059 0.000 1.028 4471 T CB 2.102 71.025 68.868 0.091 0.000 1.235 4471 T HN -0.020 nan 8.240 nan 0.000 0.491 4472 E N 0.941 121.155 120.200 0.023 0.000 2.049 4472 E HA -0.219 4.132 4.350 0.000 0.000 0.198 4472 E C 1.384 177.928 176.600 -0.093 0.000 1.007 4472 E CA 2.219 58.580 56.400 -0.066 0.000 0.809 4472 E CB -0.230 29.378 29.700 -0.154 0.000 0.749 4472 E HN 0.742 nan 8.360 nan 0.000 0.450 4473 H N -1.155 117.919 119.070 0.007 0.000 2.456 4473 H HA -0.031 4.525 4.556 -0.000 0.000 0.296 4473 H C 1.990 177.322 175.328 0.006 0.000 1.079 4473 H CA 1.254 57.306 56.048 0.006 0.000 1.322 4473 H CB 0.048 29.813 29.762 0.005 0.000 1.388 4473 H HN 0.041 nan 8.280 nan 0.000 0.538 4474 V N 1.193 121.178 119.914 0.117 0.000 2.323 4474 V HA -0.197 3.923 4.120 0.000 0.000 0.244 4474 V C 2.301 178.418 176.094 0.039 0.000 1.041 4474 V CA 1.874 64.214 62.300 0.067 0.000 1.025 4474 V CB -0.440 31.415 31.823 0.053 0.000 0.656 4474 V HN 0.546 nan 8.190 nan 0.000 0.451 4475 I N -1.943 118.641 120.570 0.024 0.000 2.830 4475 I HA -0.070 4.100 4.170 0.000 0.000 0.263 4475 I C 2.078 178.195 176.117 0.001 0.000 1.230 4475 I CA 1.407 62.712 61.300 0.010 0.000 1.480 4475 I CB -0.525 37.477 38.000 0.003 0.000 1.095 4475 I HN 0.294 nan 8.210 nan 0.000 0.455 4476 E N 1.480 121.678 120.200 -0.004 0.000 2.076 4476 E HA -0.202 4.148 4.350 0.000 0.000 0.190 4476 E C 2.045 178.651 176.600 0.010 0.000 0.979 4476 E CA 1.060 57.454 56.400 -0.011 0.000 0.807 4476 E CB -0.010 29.669 29.700 -0.037 0.000 0.761 4476 E HN 0.615 nan 8.360 nan 0.000 0.454 4477 E N 0.719 120.936 120.200 0.027 0.000 2.106 4477 E HA -0.159 4.191 4.350 0.000 0.000 0.192 4477 E C 2.060 178.672 176.600 0.020 0.000 0.984 4477 E CA 0.902 57.320 56.400 0.029 0.000 0.806 4477 E CB 0.238 29.961 29.700 0.039 0.000 0.750 4477 E HN 0.022 nan 8.360 nan 0.000 0.458 4478 V N 1.234 121.159 119.914 0.018 0.000 2.343 4478 V HA -0.250 3.870 4.120 0.000 0.000 0.247 4478 V C 2.464 178.562 176.094 0.007 0.000 1.051 4478 V CA 1.737 64.045 62.300 0.013 0.000 1.036 4478 V CB -0.733 31.097 31.823 0.012 0.000 0.654 4478 V HN 0.437 nan 8.190 nan 0.000 0.451 4479 A N -0.280 122.542 122.820 0.003 0.000 1.933 4479 A HA -0.199 4.121 4.320 0.000 0.000 0.218 4479 A C 2.358 179.942 177.584 -0.001 0.000 1.175 4479 A CA 1.476 53.512 52.037 -0.002 0.000 0.628 4479 A CB -0.416 18.580 19.000 -0.007 0.000 0.814 4479 A HN 0.384 nan 8.150 nan 0.000 0.444 4480 R N -0.543 119.959 120.500 0.004 0.000 2.090 4480 R HA 0.039 4.379 4.340 0.000 0.000 0.228 4480 R C 2.423 178.727 176.300 0.006 0.000 1.110 4480 R CA 1.280 57.383 56.100 0.005 0.000 0.973 4480 R CB -1.087 29.218 30.300 0.009 0.000 0.869 4480 R HN 0.524 nan 8.270 nan 0.000 0.440 4481 A N 0.974 123.799 122.820 0.009 0.000 1.902 4481 A HA -0.128 4.192 4.320 0.000 0.000 0.217 4481 A C 2.271 179.859 177.584 0.007 0.000 1.181 4481 A CA 1.934 53.977 52.037 0.011 0.000 0.623 4481 A CB -0.610 18.398 19.000 0.014 0.000 0.818 4481 A HN 0.211 nan 8.150 nan 0.000 0.443 4482 V N -2.406 117.510 119.914 0.003 0.000 2.719 4482 V HA -0.112 4.008 4.120 0.000 0.000 0.252 4482 V C 1.926 178.018 176.094 -0.003 0.000 1.065 4482 V CA 2.044 64.344 62.300 -0.000 0.000 1.086 4482 V CB -0.628 31.192 31.823 -0.003 0.000 0.700 4482 V HN 0.542 nan 8.190 nan 0.000 0.467 4483 D N 1.080 121.479 120.400 -0.003 0.000 2.097 4483 D HA -0.241 4.399 4.640 0.000 0.000 0.195 4483 D C 1.681 177.980 176.300 -0.002 0.000 0.989 4483 D CA 2.059 56.056 54.000 -0.004 0.000 0.827 4483 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 4483 D HN 0.509 nan 8.370 nan 0.000 0.456 4484 D N 0.336 120.737 120.400 0.001 0.000 2.144 4484 D HA -0.067 4.573 4.640 0.000 0.000 0.200 4484 D C 2.011 178.312 176.300 0.002 0.000 0.978 4484 D CA 1.133 55.134 54.000 0.003 0.000 0.833 4484 D CB -0.441 40.362 40.800 0.005 0.000 0.961 4484 D HN 0.266 nan 8.370 nan 0.000 0.470 4485 A N 0.664 123.486 122.820 0.002 0.000 1.908 4485 A HA -0.153 4.167 4.320 0.000 0.000 0.218 4485 A C 2.508 180.091 177.584 -0.001 0.000 1.181 4485 A CA 1.294 53.332 52.037 0.001 0.000 0.627 4485 A CB -0.786 18.215 19.000 0.001 0.000 0.818 4485 A HN 0.151 nan 8.150 nan 0.000 0.445 4486 V N -0.111 119.801 119.914 -0.003 0.000 2.427 4486 V HA -0.165 3.955 4.120 0.000 0.000 0.248 4486 V C 2.803 178.894 176.094 -0.004 0.000 1.051 4486 V CA 1.860 64.157 62.300 -0.005 0.000 1.048 4486 V CB -1.415 30.403 31.823 -0.008 0.000 0.666 4486 V HN 0.626 nan 8.190 nan 0.000 0.456 4487 G N 0.583 109.381 108.800 -0.003 0.000 2.446 4487 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 4487 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 4487 G C 1.701 176.600 174.900 -0.001 0.000 1.168 4487 G CA 1.632 46.731 45.100 -0.002 0.000 0.771 4487 G HN 0.601 nan 8.290 nan 0.000 0.551 4488 V N -1.537 118.377 119.914 0.000 0.000 2.719 4488 V HA 0.029 4.149 4.120 0.000 0.000 0.252 4488 V C 2.612 178.706 176.094 0.000 0.000 1.065 4488 V CA 1.212 63.513 62.300 0.001 0.000 1.086 4488 V CB -0.301 31.524 31.823 0.003 0.000 0.700 4488 V HN 0.130 nan 8.190 nan 0.000 0.467 4489 V N 2.092 122.005 119.914 -0.001 0.000 2.358 4489 V HA -0.031 4.089 4.120 0.000 0.000 0.246 4489 V C 2.918 179.011 176.094 -0.003 0.000 1.047 4489 V CA 2.247 64.546 62.300 -0.002 0.000 1.035 4489 V CB -1.333 30.488 31.823 -0.004 0.000 0.658 4489 V HN 0.613 nan 8.190 nan 0.000 0.452 4490 G N -1.265 107.533 108.800 -0.003 0.000 2.422 4490 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 4490 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 4490 G C 1.707 176.606 174.900 -0.002 0.000 1.146 4490 G CA 1.292 46.390 45.100 -0.003 0.000 0.769 4490 G HN 0.536 nan 8.290 nan 0.000 0.547 4491 C N 0.249 119.548 119.300 -0.001 0.000 2.440 4491 C HA 0.024 4.484 4.460 0.000 0.000 0.278 4491 C C 3.147 178.137 174.990 -0.000 0.000 1.295 4491 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 4491 C CB -0.809 26.932 27.740 0.001 0.000 1.987 4491 C HN 0.405 nan 8.230 nan 0.000 0.492 4492 T N 0.710 115.264 114.554 -0.001 0.000 3.043 4492 T HA 0.112 4.463 4.350 0.000 0.000 0.263 4492 T C 1.567 176.266 174.700 -0.001 0.000 1.094 4492 T CA 0.738 62.837 62.100 -0.001 0.000 1.127 4492 T CB -0.122 68.745 68.868 -0.001 0.000 0.905 4492 T HN 0.468 nan 8.240 nan 0.000 0.490 4493 I N 0.764 121.333 120.570 -0.002 0.000 2.333 4493 I HA -0.048 4.122 4.170 0.000 0.000 0.246 4493 I C 2.455 178.571 176.117 -0.002 0.000 1.106 4493 I CA 1.211 62.510 61.300 -0.002 0.000 1.411 4493 I CB -0.117 37.882 38.000 -0.003 0.000 1.082 4493 I HN 0.254 nan 8.210 nan 0.000 0.420 4494 E N 0.062 120.261 120.200 -0.002 0.000 2.122 4494 E HA -0.056 4.294 4.350 0.000 0.000 0.190 4494 E C -0.072 176.527 176.600 -0.001 0.000 0.977 4494 E CA 0.660 57.058 56.400 -0.002 0.000 0.820 4494 E CB 0.269 29.968 29.700 -0.002 0.000 0.770 4494 E HN 0.347 nan 8.360 nan 0.000 0.462 4495 D N 0.163 120.562 120.400 -0.001 0.000 2.446 4495 D HA 0.128 4.768 4.640 0.000 0.000 0.251 4495 D C -0.087 176.213 176.300 -0.000 0.000 1.137 4495 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 4495 D CB 1.438 42.238 40.800 0.000 0.000 1.071 4495 D HN 0.092 nan 8.370 nan 0.000 0.528 4496 G N 2.258 111.057 108.800 -0.001 0.000 3.340 4496 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 4496 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 4496 G C 0.615 175.514 174.900 -0.000 0.000 1.327 4496 G CA -0.146 44.954 45.100 -0.001 0.000 1.170 4496 G HN 0.080 nan 8.290 nan 0.000 0.520 4497 R N 0.354 120.854 120.500 0.000 0.000 2.494 4497 R HA 0.569 4.909 4.340 0.000 0.000 0.305 4497 R C -0.100 176.201 176.300 0.002 0.000 0.959 4497 R CA -0.643 55.458 56.100 0.001 0.000 0.864 4497 R CB 1.753 32.054 30.300 0.001 0.000 1.159 4497 R HN 0.388 nan 8.270 nan 0.000 0.446 4498 I N -1.267 119.305 120.570 0.003 0.000 3.002 4498 I HA 0.809 4.979 4.170 0.000 0.000 0.310 4498 I C -0.183 175.938 176.117 0.007 0.000 1.087 4498 I CA -1.302 60.001 61.300 0.005 0.000 1.017 4498 I CB 2.445 40.447 38.000 0.004 0.000 1.226 4498 I HN 0.301 nan 8.210 nan 0.000 0.443 4499 V N -0.298 119.622 119.914 0.010 0.000 3.078 4499 V HA 0.673 4.793 4.120 0.000 0.000 0.311 4499 V C 0.094 176.199 176.094 0.018 0.000 1.138 4499 V CA -0.582 61.727 62.300 0.015 0.000 1.007 4499 V CB 1.179 33.012 31.823 0.017 0.000 1.045 4499 V HN 1.026 nan 8.190 nan 0.000 0.432 4500 S N 1.505 117.220 115.700 0.024 0.000 2.562 4500 S HA 0.647 5.117 4.470 0.000 0.000 0.281 4500 S C 0.558 175.179 174.600 0.034 0.000 1.333 4500 S CA 0.170 58.388 58.200 0.029 0.000 1.052 4500 S CB 0.845 64.066 63.200 0.035 0.000 0.884 4500 S HN 1.792 nan 8.310 nan 0.000 0.506 4501 G N 0.366 109.187 108.800 0.035 0.000 2.630 4501 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 4501 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 4501 G C 0.913 175.839 174.900 0.043 0.000 1.434 4501 G CA -0.551 44.572 45.100 0.037 0.000 1.057 4501 G HN 2.030 nan 8.290 nan 0.000 0.570 4502 G N -1.993 106.834 108.800 0.045 0.000 2.179 4502 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 4502 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 4502 G C 1.467 176.382 174.900 0.025 0.000 1.010 4502 G CA 1.177 46.303 45.100 0.044 0.000 0.736 4502 G HN 2.472 nan 8.290 nan 0.000 0.513 4503 G N -1.359 107.448 108.800 0.012 0.000 2.162 4503 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 4503 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 4503 G C 1.467 176.358 174.900 -0.015 0.000 0.976 4503 G CA 1.687 46.781 45.100 -0.011 0.000 0.655 4503 G HN 1.952 nan 8.290 nan 0.000 0.533 4504 S N 0.034 115.752 115.700 0.029 0.000 2.370 4504 S HA -0.164 4.306 4.470 0.000 0.000 0.226 4504 S C 2.795 177.427 174.600 0.053 0.000 1.033 4504 S CA 2.765 61.015 58.200 0.083 0.000 1.011 4504 S CB -0.553 62.732 63.200 0.142 0.000 0.852 4504 S HN 1.320 nan 8.310 nan 0.000 0.457 4505 T N 0.102 114.676 114.554 0.033 0.000 2.595 4505 T HA -0.089 4.261 4.350 0.000 0.000 0.264 4505 T C 1.605 176.293 174.700 -0.021 0.000 1.058 4505 T CA 1.595 63.708 62.100 0.022 0.000 1.166 4505 T CB -1.020 67.857 68.868 0.014 0.000 0.863 4505 T HN 0.349 nan 8.240 nan 0.000 0.415 4506 E N 0.900 121.074 120.200 -0.042 0.000 2.171 4506 E HA -0.069 4.281 4.350 0.000 0.000 0.197 4506 E C 2.275 178.811 176.600 -0.107 0.000 0.997 4506 E CA 0.850 57.209 56.400 -0.068 0.000 0.810 4506 E CB -0.828 28.826 29.700 -0.076 0.000 0.738 4506 E HN 0.436 nan 8.360 nan 0.000 0.467 4507 V N 0.408 120.219 119.914 -0.172 0.000 2.379 4507 V HA -0.216 3.904 4.120 0.000 0.000 0.245 4507 V C 2.279 178.148 176.094 -0.375 0.000 1.044 4507 V CA 1.840 63.952 62.300 -0.314 0.000 1.036 4507 V CB -0.427 31.101 31.823 -0.492 0.000 0.664 4507 V HN 0.223 nan 8.190 nan 0.000 0.453 4508 E N 0.427 120.438 120.200 -0.315 0.000 2.085 4508 E HA -0.225 4.125 4.350 0.000 0.000 0.194 4508 E C 1.878 178.487 176.600 0.016 0.000 0.994 4508 E CA 1.472 57.875 56.400 0.005 0.000 0.801 4508 E CB -0.337 29.474 29.700 0.186 0.000 0.743 4508 E HN 0.364 nan 8.360 nan 0.000 0.453 4509 L N 0.582 121.801 121.223 -0.008 0.000 2.056 4509 L HA -0.108 4.232 4.340 0.000 0.000 0.207 4509 L C 2.555 179.444 176.870 0.032 0.000 1.078 4509 L CA 2.020 56.873 54.840 0.021 0.000 0.749 4509 L CB -1.155 40.922 42.059 0.029 0.000 0.901 4509 L HN 0.311 nan 8.230 nan 0.000 0.433 4510 S N -1.907 113.789 115.700 -0.007 0.000 2.423 4510 S HA -0.165 4.305 4.470 0.000 0.000 0.231 4510 S C 1.954 176.566 174.600 0.021 0.000 1.014 4510 S CA 0.839 59.042 58.200 0.005 0.000 0.965 4510 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 4510 S HN 0.253 nan 8.310 nan 0.000 0.495 4511 M N 1.538 121.142 119.600 0.007 0.000 2.064 4511 M HA 0.065 4.545 4.480 0.000 0.000 0.260 4511 M C 2.180 178.518 176.300 0.065 0.000 1.073 4511 M CA 1.411 56.734 55.300 0.039 0.000 1.124 4511 M CB -0.935 31.703 32.600 0.062 0.000 1.326 4511 M HN 0.257 nan 8.290 nan 0.000 0.410 4512 K N 0.614 121.055 120.400 0.067 0.000 2.217 4512 K HA 0.065 4.385 4.320 0.000 0.000 0.202 4512 K C 2.023 178.687 176.600 0.108 0.000 1.051 4512 K CA 0.870 57.202 56.287 0.075 0.000 0.952 4512 K CB -0.481 32.049 32.500 0.050 0.000 0.736 4512 K HN 0.389 nan 8.250 nan 0.000 0.453 4513 L N 0.149 121.438 121.223 0.110 0.000 2.313 4513 L HA -0.030 4.310 4.340 0.000 0.000 0.214 4513 L C 2.384 179.376 176.870 0.203 0.000 1.119 4513 L CA 0.644 55.592 54.840 0.180 0.000 0.809 4513 L CB -0.183 41.982 42.059 0.177 0.000 0.933 4513 L HN 0.097 nan 8.230 nan 0.000 0.449 4514 R N 0.106 120.686 120.500 0.134 0.000 2.090 4514 R HA -0.124 4.216 4.340 0.000 0.000 0.228 4514 R C 2.052 178.407 176.300 0.092 0.000 1.110 4514 R CA 1.166 57.328 56.100 0.102 0.000 0.973 4514 R CB -0.077 30.265 30.300 0.070 0.000 0.869 4514 R HN 0.421 nan 8.270 nan 0.000 0.440 4515 E N -0.465 119.797 120.200 0.103 0.000 2.107 4515 E HA -0.194 4.156 4.350 0.000 0.000 0.191 4515 E C 1.549 178.215 176.600 0.110 0.000 0.982 4515 E CA 0.800 57.254 56.400 0.089 0.000 0.809 4515 E CB -0.087 29.664 29.700 0.085 0.000 0.756 4515 E HN 0.298 nan 8.360 nan 0.000 0.459 4516 Y N 1.583 121.897 120.300 0.023 0.000 2.224 4516 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 4516 Y C 2.181 178.091 175.900 0.017 0.000 1.146 4516 Y CA 1.290 59.400 58.100 0.017 0.000 1.182 4516 Y CB -0.423 38.045 38.460 0.014 0.000 0.983 4516 Y HN -0.011 nan 8.280 nan 0.000 0.524 4517 A N 0.378 123.191 122.820 -0.012 0.000 1.883 4517 A HA -0.187 4.133 4.320 0.000 0.000 0.217 4517 A C 2.131 179.657 177.584 -0.096 0.000 1.186 4517 A CA 1.910 53.903 52.037 -0.073 0.000 0.624 4517 A CB -0.634 18.389 19.000 0.039 0.000 0.822 4517 A HN 0.517 nan 8.150 nan 0.000 0.444 4518 E N -0.468 119.706 120.200 -0.044 0.000 2.110 4518 E HA -0.139 4.211 4.350 0.000 0.000 0.193 4518 E C 2.163 178.724 176.600 -0.066 0.000 0.988 4518 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 4518 E CB -0.692 29.005 29.700 -0.006 0.000 0.745 4518 E HN 0.599 nan 8.360 nan 0.000 0.458 4519 G N 1.474 110.218 108.800 -0.094 0.000 2.402 4519 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 4519 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 4519 G C 1.607 176.412 174.900 -0.157 0.000 1.162 4519 G CA 0.338 45.374 45.100 -0.106 0.000 0.777 4519 G HN 0.116 nan 8.290 nan 0.000 0.539 4520 I N 0.339 120.751 120.570 -0.263 0.000 2.202 4520 I HA -0.011 4.159 4.170 0.000 0.000 0.242 4520 I C 1.706 177.742 176.117 -0.135 0.000 1.091 4520 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 4520 I CB -1.169 36.619 38.000 -0.354 0.000 1.058 4520 I HN 0.324 nan 8.210 nan 0.000 0.410 4521 S N -1.227 114.407 115.700 -0.110 0.000 3.513 4521 S HA -0.105 4.365 4.470 0.000 0.000 0.636 4521 S C 0.714 175.282 174.600 -0.055 0.000 2.452 4521 S CA 1.397 59.559 58.200 -0.065 0.000 2.644 4521 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 4521 S HN 1.473 nan 8.310 nan 0.000 1.787 4522 G N 0.745 109.522 108.800 -0.037 0.000 2.575 4522 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 4522 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 4522 G C 0.089 174.975 174.900 -0.023 0.000 1.264 4522 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 4522 G HN 1.196 nan 8.290 nan 0.000 0.568 4523 R N 0.564 121.052 120.500 -0.019 0.000 2.240 4523 R HA 0.249 4.589 4.340 0.000 0.000 0.203 4523 R C 2.411 178.702 176.300 -0.013 0.000 1.011 4523 R CA 1.552 57.645 56.100 -0.012 0.000 1.007 4523 R CB -0.311 29.985 30.300 -0.008 0.000 0.911 4523 R HN 0.620 nan 8.270 nan 0.000 0.468 4524 E N 0.398 120.584 120.200 -0.024 0.000 2.153 4524 E HA -0.182 4.168 4.350 0.000 0.000 0.194 4524 E C 1.703 178.293 176.600 -0.017 0.000 0.988 4524 E CA 0.840 57.225 56.400 -0.025 0.000 0.811 4524 E CB -0.089 29.586 29.700 -0.043 0.000 0.746 4524 E HN 0.191 nan 8.360 nan 0.000 0.466 4525 Q N 0.575 120.358 119.800 -0.029 0.000 2.170 4525 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 4525 Q C 1.989 178.003 176.000 0.024 0.000 0.976 4525 Q CA 1.093 56.884 55.803 -0.019 0.000 0.858 4525 Q CB -0.062 28.658 28.738 -0.030 0.000 0.907 4525 Q HN 0.385 nan 8.270 nan 0.000 0.433 4526 L N 0.039 121.277 121.223 0.024 0.000 2.056 4526 L HA -0.124 4.216 4.340 0.000 0.000 0.207 4526 L C 2.626 179.546 176.870 0.083 0.000 1.078 4526 L CA 1.146 56.012 54.840 0.043 0.000 0.749 4526 L CB -0.681 41.393 42.059 0.025 0.000 0.901 4526 L HN 0.156 nan 8.230 nan 0.000 0.433 4527 A N -0.390 122.474 122.820 0.073 0.000 1.898 4527 A HA -0.105 4.215 4.320 0.000 0.000 0.216 4527 A C 2.316 180.079 177.584 0.298 0.000 1.181 4527 A CA 1.445 53.555 52.037 0.122 0.000 0.620 4527 A CB -0.706 18.281 19.000 -0.022 0.000 0.819 4527 A HN 0.179 nan 8.150 nan 0.000 0.442 4528 V N 0.022 120.057 119.914 0.202 0.000 2.427 4528 V HA -0.202 3.918 4.120 0.000 0.000 0.248 4528 V C 2.651 178.894 176.094 0.249 0.000 1.051 4528 V CA 2.243 64.683 62.300 0.233 0.000 1.048 4528 V CB -0.785 31.124 31.823 0.144 0.000 0.666 4528 V HN 0.615 nan 8.190 nan 0.000 0.456 4529 R N 1.176 121.780 120.500 0.173 0.000 2.081 4529 R HA -0.079 4.261 4.340 0.000 0.000 0.235 4529 R C 2.146 178.537 176.300 0.151 0.000 1.131 4529 R CA 1.893 58.076 56.100 0.138 0.000 0.960 4529 R CB -0.929 29.424 30.300 0.088 0.000 0.856 4529 R HN 0.439 nan 8.270 nan 0.000 0.436 4530 A N -0.471 122.465 122.820 0.192 0.000 1.902 4530 A HA -0.125 4.195 4.320 0.000 0.000 0.217 4530 A C 2.176 179.858 177.584 0.163 0.000 1.181 4530 A CA 1.363 53.513 52.037 0.190 0.000 0.623 4530 A CB -0.849 18.309 19.000 0.264 0.000 0.818 4530 A HN 0.485 nan 8.150 nan 0.000 0.443 4531 F N 0.932 120.931 119.950 0.081 0.000 2.075 4531 F HA -0.091 4.436 4.527 0.000 0.000 0.297 4531 F C 2.558 178.310 175.800 -0.080 0.000 1.113 4531 F CA 1.494 59.413 58.000 -0.135 0.000 1.218 4531 F CB -0.345 38.594 39.000 -0.102 0.000 0.984 4531 F HN 0.250 nan 8.300 nan 0.000 0.472 4532 A N -0.141 122.819 122.820 0.233 0.000 1.940 4532 A HA -0.212 4.108 4.320 0.000 0.000 0.219 4532 A C 1.878 179.454 177.584 -0.014 0.000 1.176 4532 A CA 2.110 54.222 52.037 0.126 0.000 0.631 4532 A CB -0.953 18.142 19.000 0.158 0.000 0.814 4532 A HN 0.472 nan 8.150 nan 0.000 0.446 4533 D N -0.197 120.197 120.400 -0.010 0.000 2.183 4533 D HA 0.068 4.708 4.640 0.000 0.000 0.203 4533 D C 2.170 178.414 176.300 -0.093 0.000 0.969 4533 D CA 1.222 55.200 54.000 -0.036 0.000 0.842 4533 D CB -0.390 40.407 40.800 -0.004 0.000 0.957 4533 D HN 0.414 nan 8.370 nan 0.000 0.484 4534 A N 0.730 123.456 122.820 -0.156 0.000 1.972 4534 A HA -0.119 4.201 4.320 0.000 0.000 0.219 4534 A C 2.241 179.682 177.584 -0.239 0.000 1.169 4534 A CA 0.793 52.700 52.037 -0.216 0.000 0.635 4534 A CB -0.729 18.072 19.000 -0.333 0.000 0.810 4534 A HN 0.235 nan 8.150 nan 0.000 0.446 4535 L N -0.418 120.644 121.223 -0.269 0.000 2.275 4535 L HA -0.121 4.219 4.340 0.000 0.000 0.215 4535 L C 1.960 178.745 176.870 -0.142 0.000 1.119 4535 L CA 0.732 55.438 54.840 -0.223 0.000 0.790 4535 L CB -0.466 41.471 42.059 -0.203 0.000 0.919 4535 L HN 0.315 nan 8.230 nan 0.000 0.443 4536 E N -0.227 119.903 120.200 -0.117 0.000 2.478 4536 E HA -0.115 4.235 4.350 0.000 0.000 0.198 4536 E C 2.180 178.733 176.600 -0.079 0.000 1.046 4536 E CA 0.515 56.863 56.400 -0.088 0.000 0.870 4536 E CB -0.077 29.581 29.700 -0.070 0.000 0.818 4536 E HN 0.294 nan 8.360 nan 0.000 0.527 4537 V N 0.978 120.838 119.914 -0.090 0.000 2.594 4537 V HA -0.204 3.916 4.120 0.000 0.000 0.253 4537 V C 1.819 177.872 176.094 -0.068 0.000 1.069 4537 V CA 0.958 63.213 62.300 -0.076 0.000 1.082 4537 V CB -0.190 31.582 31.823 -0.084 0.000 0.680 4537 V HN 0.132 nan 8.190 nan 0.000 0.469 4538 I N 0.550 121.076 120.570 -0.074 0.000 2.193 4538 I HA -0.017 4.153 4.170 0.000 0.000 0.240 4538 I C 0.197 176.283 176.117 -0.052 0.000 1.084 4538 I CA 1.368 62.630 61.300 -0.062 0.000 1.365 4538 I CB -2.824 35.138 38.000 -0.064 0.000 1.064 4538 I HN 0.319 nan 8.210 nan 0.000 0.410 4539 P HA -0.170 nan 4.420 nan 0.000 0.216 4539 P C 1.850 179.124 177.300 -0.042 0.000 1.150 4539 P CA 1.571 64.644 63.100 -0.045 0.000 0.843 4539 P CB -0.162 31.508 31.700 -0.050 0.000 0.787 4540 R N -0.226 120.247 120.500 -0.046 0.000 2.073 4540 R HA -0.108 4.232 4.340 0.000 0.000 0.234 4540 R C 1.951 178.227 176.300 -0.041 0.000 1.134 4540 R CA 2.335 58.410 56.100 -0.042 0.000 0.952 4540 R CB -0.847 29.427 30.300 -0.043 0.000 0.850 4540 R HN 0.242 nan 8.270 nan 0.000 0.433 4541 T N -0.950 113.578 114.554 -0.044 0.000 3.043 4541 T HA -0.055 4.295 4.350 0.000 0.000 0.263 4541 T C 1.778 176.450 174.700 -0.046 0.000 1.094 4541 T CA 0.541 62.615 62.100 -0.044 0.000 1.127 4541 T CB -0.095 68.746 68.868 -0.044 0.000 0.905 4541 T HN 0.174 nan 8.240 nan 0.000 0.490 4542 L N 1.876 123.071 121.223 -0.047 0.000 2.027 4542 L HA 0.278 4.618 4.340 0.000 0.000 0.206 4542 L C 2.770 179.606 176.870 -0.056 0.000 1.074 4542 L CA 1.890 56.699 54.840 -0.052 0.000 0.745 4542 L CB -1.167 40.865 42.059 -0.046 0.000 0.898 4542 L HN 0.314 nan 8.230 nan 0.000 0.433 4543 A N -1.096 121.696 122.820 -0.046 0.000 1.929 4543 A HA -0.190 4.130 4.320 0.000 0.000 0.216 4543 A C 2.297 179.856 177.584 -0.043 0.000 1.176 4543 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 4543 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 4543 A HN 0.595 nan 8.150 nan 0.000 0.444 4544 E N 0.160 120.336 120.200 -0.040 0.000 2.038 4544 E HA -0.250 4.100 4.350 0.000 0.000 0.195 4544 E C 1.585 178.160 176.600 -0.040 0.000 1.000 4544 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 4544 E CB -0.154 29.526 29.700 -0.034 0.000 0.750 4544 E HN 0.536 nan 8.360 nan 0.000 0.448 4545 N N 0.207 118.879 118.700 -0.046 0.000 2.309 4545 N HA -0.092 4.648 4.740 0.000 0.000 0.182 4545 N C 1.413 176.887 175.510 -0.060 0.000 1.018 4545 N CA 1.107 54.127 53.050 -0.050 0.000 0.876 4545 N CB -0.295 38.160 38.487 -0.053 0.000 0.972 4545 N HN 0.235 nan 8.380 nan 0.000 0.434 4546 A N 0.029 122.807 122.820 -0.069 0.000 2.119 4546 A HA 0.266 4.586 4.320 0.000 0.000 0.217 4546 A C 1.533 179.080 177.584 -0.061 0.000 1.153 4546 A CA 1.150 53.137 52.037 -0.082 0.000 0.692 4546 A CB -0.512 18.432 19.000 -0.094 0.000 0.799 4546 A HN 0.335 nan 8.150 nan 0.000 0.458 4547 G N -1.599 107.173 108.800 -0.047 0.000 2.137 4547 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 4547 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 4547 G C -0.021 174.861 174.900 -0.030 0.000 1.002 4547 G CA 0.351 45.430 45.100 -0.036 0.000 0.702 4547 G HN 0.459 nan 8.290 nan 0.000 0.515 4548 L N 0.073 121.276 121.223 -0.033 0.000 2.352 4548 L HA 0.479 4.819 4.340 0.000 0.000 0.269 4548 L C 0.475 177.332 176.870 -0.022 0.000 1.034 4548 L CA -1.110 53.715 54.840 -0.026 0.000 0.806 4548 L CB 0.964 43.007 42.059 -0.028 0.000 1.244 4548 L HN 0.090 nan 8.230 nan 0.000 0.447 4549 D N 1.110 121.500 120.400 -0.017 0.000 2.363 4549 D HA 0.060 4.700 4.640 0.000 0.000 0.263 4549 D C 0.785 177.075 176.300 -0.016 0.000 1.258 4549 D CA 0.221 54.212 54.000 -0.015 0.000 0.907 4549 D CB 1.716 42.510 40.800 -0.011 0.000 1.107 4549 D HN 0.649 nan 8.370 nan 0.000 0.495 4550 A N 5.419 128.228 122.820 -0.019 0.000 1.917 4550 A HA -0.205 4.115 4.320 0.000 0.000 0.219 4550 A C 2.107 179.680 177.584 -0.018 0.000 1.182 4550 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 4550 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 4550 A HN 0.704 nan 8.150 nan 0.000 0.448 4551 I N -0.330 120.232 120.570 -0.014 0.000 2.193 4551 I HA -0.105 4.065 4.170 0.000 0.000 0.240 4551 I C 2.378 178.490 176.117 -0.009 0.000 1.084 4551 I CA 1.135 62.428 61.300 -0.011 0.000 1.365 4551 I CB -1.614 36.381 38.000 -0.009 0.000 1.064 4551 I HN 0.310 nan 8.210 nan 0.000 0.410 4552 E N 0.717 120.912 120.200 -0.007 0.000 2.110 4552 E HA -0.145 4.205 4.350 0.000 0.000 0.193 4552 E C 2.303 178.902 176.600 -0.003 0.000 0.988 4552 E CA 0.916 57.314 56.400 -0.004 0.000 0.804 4552 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 4552 E HN 0.347 nan 8.360 nan 0.000 0.458 4553 I N 0.605 121.172 120.570 -0.006 0.000 2.163 4553 I HA -0.225 3.945 4.170 0.000 0.000 0.240 4553 I C 2.326 178.440 176.117 -0.005 0.000 1.081 4553 I CA 0.779 62.076 61.300 -0.005 0.000 1.353 4553 I CB -0.956 37.038 38.000 -0.011 0.000 1.054 4553 I HN 0.119 nan 8.210 nan 0.000 0.407 4554 L N 0.110 121.327 121.223 -0.010 0.000 2.083 4554 L HA -0.151 4.189 4.340 0.000 0.000 0.209 4554 L C 2.549 179.414 176.870 -0.007 0.000 1.083 4554 L CA 1.314 56.145 54.840 -0.014 0.000 0.752 4554 L CB -0.983 41.064 42.059 -0.020 0.000 0.899 4554 L HN 0.002 nan 8.230 nan 0.000 0.433 4555 V N -1.227 118.685 119.914 -0.003 0.000 2.323 4555 V HA -0.223 3.897 4.120 0.000 0.000 0.244 4555 V C 2.504 178.604 176.094 0.010 0.000 1.041 4555 V CA 1.319 63.621 62.300 0.003 0.000 1.025 4555 V CB -0.381 31.443 31.823 0.003 0.000 0.656 4555 V HN 0.285 nan 8.190 nan 0.000 0.451 4556 K N -0.082 120.325 120.400 0.010 0.000 2.148 4556 K HA -0.050 4.270 4.320 0.000 0.000 0.204 4556 K C 1.887 178.503 176.600 0.026 0.000 1.050 4556 K CA 0.953 57.250 56.287 0.016 0.000 0.942 4556 K CB -0.530 31.978 32.500 0.013 0.000 0.724 4556 K HN 0.305 nan 8.250 nan 0.000 0.446 4557 V N 0.550 120.479 119.914 0.025 0.000 2.323 4557 V HA -0.168 3.952 4.120 0.000 0.000 0.244 4557 V C 2.139 178.271 176.094 0.063 0.000 1.041 4557 V CA 1.536 63.860 62.300 0.040 0.000 1.025 4557 V CB -0.305 31.532 31.823 0.023 0.000 0.656 4557 V HN 0.244 nan 8.190 nan 0.000 0.451 4558 R N 0.091 120.611 120.500 0.034 0.000 2.096 4558 R HA -0.103 4.237 4.340 0.000 0.000 0.235 4558 R C 2.418 178.764 176.300 0.077 0.000 1.127 4558 R CA 1.423 57.547 56.100 0.040 0.000 0.968 4558 R CB -0.546 29.755 30.300 0.001 0.000 0.861 4558 R HN 0.534 nan 8.270 nan 0.000 0.440 4559 A N 1.251 124.102 122.820 0.052 0.000 1.877 4559 A HA -0.101 4.219 4.320 0.000 0.000 0.216 4559 A C 2.364 179.980 177.584 0.053 0.000 1.186 4559 A CA 1.674 53.739 52.037 0.046 0.000 0.620 4559 A CB -0.587 18.430 19.000 0.029 0.000 0.822 4559 A HN 0.387 nan 8.150 nan 0.000 0.443 4560 A N -1.201 121.652 122.820 0.056 0.000 1.930 4560 A HA -0.144 4.176 4.320 0.000 0.000 0.217 4560 A C 1.992 179.608 177.584 0.053 0.000 1.175 4560 A CA 2.012 54.077 52.037 0.046 0.000 0.627 4560 A CB -0.833 18.193 19.000 0.044 0.000 0.815 4560 A HN 0.774 nan 8.150 nan 0.000 0.443 4561 H N -0.250 118.824 119.070 0.006 0.000 2.321 4561 H HA 0.045 4.601 4.556 0.000 0.000 0.300 4561 H C 2.206 177.539 175.328 0.008 0.000 1.087 4561 H CA 1.978 58.030 56.048 0.007 0.000 1.319 4561 H CB -0.136 29.630 29.762 0.006 0.000 1.379 4561 H HN 0.400 nan 8.280 nan 0.000 0.501 4562 A N -0.786 122.122 122.820 0.147 0.000 1.930 4562 A HA -0.141 4.179 4.320 0.000 0.000 0.217 4562 A C 2.528 180.124 177.584 0.019 0.000 1.175 4562 A CA 1.752 53.843 52.037 0.090 0.000 0.627 4562 A CB -0.905 18.150 19.000 0.091 0.000 0.815 4562 A HN 0.497 nan 8.150 nan 0.000 0.443 4563 S N -0.412 115.295 115.700 0.011 0.000 2.341 4563 S HA -0.088 4.383 4.470 0.000 0.000 0.216 4563 S C 1.856 176.441 174.600 -0.025 0.000 1.034 4563 S CA 1.255 59.454 58.200 -0.002 0.000 0.964 4563 S CB -0.348 62.856 63.200 0.006 0.000 0.882 4563 S HN 0.610 nan 8.310 nan 0.000 0.469 4564 N N 0.735 119.411 118.700 -0.039 0.000 2.368 4564 N HA 0.291 5.032 4.740 0.000 0.000 0.176 4564 N C 1.011 176.462 175.510 -0.097 0.000 1.021 4564 N CA 1.003 54.021 53.050 -0.053 0.000 0.888 4564 N CB 0.233 38.696 38.487 -0.039 0.000 0.995 4564 N HN 0.598 nan 8.380 nan 0.000 0.437 4565 G N 0.766 109.456 108.800 -0.183 0.000 2.373 4565 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 4565 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 4565 G C -0.197 174.413 174.900 -0.483 0.000 1.267 4565 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 4565 G HN 0.320 nan 8.290 nan 0.000 0.497 4566 N N -0.714 117.735 118.700 -0.418 0.000 2.412 4566 N HA 0.121 4.861 4.740 0.000 0.000 0.184 4566 N C 1.272 176.748 175.510 -0.057 0.000 1.101 4566 N CA 1.042 53.950 53.050 -0.236 0.000 0.881 4566 N CB 0.327 38.807 38.487 -0.011 0.000 0.969 4566 N HN 0.369 nan 8.380 nan 0.000 0.459 4567 K N -0.289 120.068 120.400 -0.072 0.000 2.358 4567 K HA 0.286 4.606 4.320 0.000 0.000 0.200 4567 K C -0.421 176.161 176.600 -0.031 0.000 1.030 4567 K CA -0.007 56.261 56.287 -0.032 0.000 1.097 4567 K CB 0.312 32.795 32.500 -0.027 0.000 0.862 4567 K HN 0.202 nan 8.250 nan 0.000 0.534 4568 C N 1.187 120.457 119.300 -0.051 0.000 3.206 4568 C HA 0.724 5.184 4.460 0.000 0.000 0.206 4568 C C 0.501 175.477 174.990 -0.024 0.000 1.836 4568 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 4568 C CB -0.605 27.107 27.740 -0.047 0.000 2.405 4568 C HN 0.424 nan 8.230 nan 0.000 0.516 4569 A N 0.058 122.882 122.820 0.007 0.000 3.963 4569 A HA 0.966 5.286 4.320 0.000 0.000 0.283 4569 A C 0.048 177.675 177.584 0.071 0.000 1.085 4569 A CA 0.332 52.401 52.037 0.053 0.000 0.591 4569 A CB -0.171 18.886 19.000 0.095 0.000 1.632 4569 A HN 2.013 nan 8.150 nan 0.000 0.761 4570 G N -2.005 106.855 108.800 0.100 0.000 2.787 4570 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 4570 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 4570 G C -0.700 174.233 174.900 0.054 0.000 1.437 4570 G CA -0.016 45.128 45.100 0.073 0.000 0.872 4570 G HN 2.092 nan 8.290 nan 0.000 0.566 4571 L N 1.030 122.278 121.223 0.042 0.000 2.276 4571 L HA 0.601 4.941 4.340 0.000 0.000 0.286 4571 L C 0.591 177.494 176.870 0.054 0.000 1.061 4571 L CA -0.668 54.193 54.840 0.034 0.000 0.807 4571 L CB 1.273 43.338 42.059 0.011 0.000 1.177 4571 L HN 0.698 nan 8.230 nan 0.000 0.429 4572 N N 4.233 122.973 118.700 0.066 0.000 2.699 4572 N HA 0.109 4.849 4.740 0.000 0.000 0.232 4572 N C 0.925 176.484 175.510 0.082 0.000 1.027 4572 N CA -0.127 52.994 53.050 0.119 0.000 0.920 4572 N CB 1.136 39.700 38.487 0.129 0.000 1.148 4572 N HN 0.703 nan 8.380 nan 0.000 0.509 4573 V N 1.617 121.535 119.914 0.007 0.000 2.913 4573 V HA -0.075 4.045 4.120 0.000 0.000 0.260 4573 V C 1.514 177.524 176.094 -0.141 0.000 1.098 4573 V CA 1.014 63.248 62.300 -0.110 0.000 1.121 4573 V CB -1.131 30.560 31.823 -0.220 0.000 0.714 4573 V HN 0.408 nan 8.190 nan 0.000 0.487 4574 F N 2.696 122.646 119.950 -0.001 0.000 2.134 4574 F HA -0.097 4.430 4.527 0.000 0.000 0.299 4574 F C 2.772 178.571 175.800 -0.001 0.000 1.097 4574 F CA 2.153 60.153 58.000 -0.001 0.000 1.264 4574 F CB -0.655 38.344 39.000 -0.001 0.000 1.001 4574 F HN 0.385 nan 8.300 nan 0.000 0.479 4575 T N -3.698 110.964 114.554 0.181 0.000 3.044 4575 T HA 0.374 4.724 4.350 0.000 0.000 0.250 4575 T C 1.496 176.227 174.700 0.051 0.000 1.081 4575 T CA 0.416 62.573 62.100 0.095 0.000 1.040 4575 T CB 0.181 69.095 68.868 0.077 0.000 0.962 4575 T HN 0.427 nan 8.240 nan 0.000 0.506 4576 G N 0.958 109.781 108.800 0.037 0.000 2.248 4576 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 4576 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 4576 G C 0.054 174.961 174.900 0.012 0.000 1.082 4576 G CA -0.228 44.877 45.100 0.007 0.000 0.863 4576 G HN 1.396 nan 8.290 nan 0.000 0.495 4577 A N -1.637 121.197 122.820 0.023 0.000 2.612 4577 A HA 0.891 5.211 4.320 0.000 0.000 0.293 4577 A C 0.039 177.640 177.584 0.029 0.000 1.075 4577 A CA 0.121 52.171 52.037 0.022 0.000 0.680 4577 A CB 1.531 20.545 19.000 0.023 0.000 1.279 4577 A HN 1.804 nan 8.150 nan 0.000 0.411 4578 V N 1.674 121.603 119.914 0.025 0.000 2.673 4578 V HA 0.434 4.554 4.120 0.000 0.000 0.303 4578 V C -0.043 176.071 176.094 0.032 0.000 1.046 4578 V CA 0.952 63.270 62.300 0.030 0.000 1.126 4578 V CB 0.458 32.298 31.823 0.029 0.000 0.934 4578 V HN 0.918 nan 8.190 nan 0.000 0.487 4579 E N 3.866 124.088 120.200 0.038 0.000 2.390 4579 E HA 0.383 4.733 4.350 0.000 0.000 0.242 4579 E C -1.477 175.141 176.600 0.031 0.000 0.907 4579 E CA -0.668 55.752 56.400 0.033 0.000 0.884 4579 E CB 0.844 30.568 29.700 0.040 0.000 1.788 4579 E HN 0.719 nan 8.360 nan 0.000 0.427 4580 D N 1.313 121.727 120.400 0.024 0.000 2.460 4580 D HA 0.186 4.826 4.640 0.000 0.000 0.232 4580 D C 0.800 177.112 176.300 0.020 0.000 1.079 4580 D CA -0.278 53.732 54.000 0.017 0.000 0.864 4580 D CB 0.676 41.480 40.800 0.006 0.000 1.048 4580 D HN 0.186 nan 8.370 nan 0.000 0.523 4581 M N 1.828 121.445 119.600 0.029 0.000 2.132 4581 M HA -0.120 4.360 4.480 0.000 0.000 0.263 4581 M C 2.339 178.650 176.300 0.017 0.000 1.065 4581 M CA 0.697 56.016 55.300 0.031 0.000 1.122 4581 M CB -1.200 31.425 32.600 0.043 0.000 1.365 4581 M HN 0.554 nan 8.290 nan 0.000 0.411 4582 C N 0.765 120.073 119.300 0.013 0.000 2.436 4582 C HA -0.186 4.274 4.460 0.000 0.000 0.277 4582 C C 2.686 177.675 174.990 -0.001 0.000 1.241 4582 C CA 1.689 60.710 59.018 0.005 0.000 1.721 4582 C CB -0.863 26.878 27.740 0.001 0.000 2.043 4582 C HN 0.582 nan 8.230 nan 0.000 0.472 4583 E N 1.068 121.267 120.200 -0.002 0.000 2.150 4583 E HA -0.108 4.242 4.350 0.000 0.000 0.193 4583 E C 1.658 178.253 176.600 -0.009 0.000 0.985 4583 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 4583 E CB -0.467 29.229 29.700 -0.005 0.000 0.752 4583 E HN 0.645 nan 8.360 nan 0.000 0.466 4584 N N -0.228 118.468 118.700 -0.007 0.000 2.521 4584 N HA 0.035 4.775 4.740 0.000 0.000 0.188 4584 N C 0.661 176.155 175.510 -0.026 0.000 1.146 4584 N CA 0.963 54.003 53.050 -0.017 0.000 0.893 4584 N CB 0.469 38.950 38.487 -0.011 0.000 0.975 4584 N HN 0.306 nan 8.380 nan 0.000 0.451 4585 G N -0.135 108.654 108.800 -0.018 0.000 2.153 4585 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 4585 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 4585 G C -0.089 174.801 174.900 -0.017 0.000 0.994 4585 G CA 0.200 45.288 45.100 -0.019 0.000 0.698 4585 G HN 0.202 nan 8.290 nan 0.000 0.521 4586 V N 1.440 121.351 119.914 -0.006 0.000 2.267 4586 V HA 0.514 4.634 4.120 0.000 0.000 0.254 4586 V C 0.750 176.854 176.094 0.016 0.000 1.144 4586 V CA 0.077 62.382 62.300 0.008 0.000 0.992 4586 V CB 0.549 32.389 31.823 0.029 0.000 1.199 4586 V HN 1.035 nan 8.190 nan 0.000 0.493 4587 V N 1.794 121.714 119.914 0.011 0.000 3.007 4587 V HA 0.911 5.031 4.120 0.000 0.000 0.311 4587 V C -0.697 175.404 176.094 0.012 0.000 1.120 4587 V CA -0.743 61.564 62.300 0.012 0.000 0.980 4587 V CB 2.509 34.336 31.823 0.007 0.000 1.033 4587 V HN 0.688 nan 8.190 nan 0.000 0.429 4588 E N 1.722 121.929 120.200 0.012 0.000 2.393 4588 E HA 0.646 4.996 4.350 0.000 0.000 0.273 4588 E C -3.273 173.332 176.600 0.008 0.000 0.918 4588 E CA -2.369 54.038 56.400 0.011 0.000 0.773 4588 E CB 2.050 31.758 29.700 0.013 0.000 1.275 4588 E HN 0.457 nan 8.360 nan 0.000 0.451 4589 P HA -0.020 nan 4.420 nan 0.000 0.266 4589 P C 0.804 178.107 177.300 0.005 0.000 1.195 4589 P CA -0.259 62.844 63.100 0.005 0.000 0.768 4589 P CB 0.453 32.155 31.700 0.003 0.000 0.838 4590 L N 4.439 125.665 121.223 0.005 0.000 2.046 4590 L HA -0.134 4.206 4.340 0.000 0.000 0.208 4590 L C 2.402 179.274 176.870 0.005 0.000 1.077 4590 L CA 1.790 56.633 54.840 0.005 0.000 0.747 4590 L CB -0.848 41.214 42.059 0.004 0.000 0.896 4590 L HN 0.294 nan 8.230 nan 0.000 0.432 4591 R N -0.969 119.533 120.500 0.004 0.000 2.117 4591 R HA -0.177 4.163 4.340 0.000 0.000 0.243 4591 R C 2.026 178.328 176.300 0.004 0.000 1.143 4591 R CA 1.992 58.094 56.100 0.003 0.000 0.968 4591 R CB -0.400 29.901 30.300 0.003 0.000 0.863 4591 R HN 0.378 nan 8.270 nan 0.000 0.444 4592 V N 1.286 121.202 119.914 0.004 0.000 2.332 4592 V HA -0.254 3.866 4.120 0.000 0.000 0.248 4592 V C 2.285 178.380 176.094 0.002 0.000 1.055 4592 V CA 1.851 64.152 62.300 0.003 0.000 1.038 4592 V CB -0.347 31.478 31.823 0.003 0.000 0.651 4592 V HN 0.310 nan 8.190 nan 0.000 0.450 4593 K N 0.231 120.633 120.400 0.003 0.000 2.186 4593 K HA -0.035 4.285 4.320 0.000 0.000 0.202 4593 K C 2.263 178.867 176.600 0.007 0.000 1.052 4593 K CA 1.653 57.942 56.287 0.003 0.000 0.965 4593 K CB -0.675 31.828 32.500 0.005 0.000 0.746 4593 K HN 0.718 nan 8.250 nan 0.000 0.457 4594 T N -1.210 113.348 114.554 0.008 0.000 2.978 4594 T HA -0.083 4.267 4.350 0.000 0.000 0.262 4594 T C 2.016 176.724 174.700 0.012 0.000 1.063 4594 T CA 0.699 62.805 62.100 0.010 0.000 1.140 4594 T CB 0.036 68.908 68.868 0.007 0.000 0.886 4594 T HN -0.047 nan 8.240 nan 0.000 0.470 4595 Q N 1.826 121.631 119.800 0.009 0.000 2.123 4595 Q HA 0.261 4.601 4.340 0.000 0.000 0.199 4595 Q C 2.408 178.415 176.000 0.011 0.000 0.966 4595 Q CA 1.608 57.416 55.803 0.009 0.000 0.845 4595 Q CB -0.924 27.818 28.738 0.006 0.000 0.907 4595 Q HN 0.624 nan 8.270 nan 0.000 0.439 4596 A N 0.573 123.397 122.820 0.007 0.000 1.883 4596 A HA -0.174 4.146 4.320 0.000 0.000 0.217 4596 A C 1.952 179.543 177.584 0.011 0.000 1.186 4596 A CA 1.589 53.627 52.037 0.002 0.000 0.624 4596 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 4596 A HN 0.451 nan 8.150 nan 0.000 0.444 4597 I N -0.135 120.451 120.570 0.025 0.000 2.179 4597 I HA -0.263 3.907 4.170 0.000 0.000 0.242 4597 I C 2.660 178.819 176.117 0.069 0.000 1.088 4597 I CA 1.660 62.997 61.300 0.063 0.000 1.357 4597 I CB -1.633 36.413 38.000 0.077 0.000 1.051 4597 I HN 0.493 nan 8.210 nan 0.000 0.409 4598 Q N 0.203 120.029 119.800 0.043 0.000 1.993 4598 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 4598 Q C 2.465 178.489 176.000 0.040 0.000 0.984 4598 Q CA 2.202 58.028 55.803 0.037 0.000 0.837 4598 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 4598 Q HN 0.376 nan 8.270 nan 0.000 0.423 4599 S N 0.504 116.222 115.700 0.030 0.000 2.383 4599 S HA -0.131 4.339 4.470 0.000 0.000 0.227 4599 S C 1.986 176.604 174.600 0.031 0.000 1.026 4599 S CA 0.929 59.145 58.200 0.027 0.000 0.981 4599 S CB -0.264 62.947 63.200 0.017 0.000 0.818 4599 S HN 0.477 nan 8.310 nan 0.000 0.472 4600 A N 1.629 124.466 122.820 0.028 0.000 1.873 4600 A HA 0.155 4.475 4.320 0.000 0.000 0.215 4600 A C 2.363 179.978 177.584 0.051 0.000 1.186 4600 A CA 1.648 53.699 52.037 0.022 0.000 0.616 4600 A CB -1.134 17.861 19.000 -0.007 0.000 0.823 4600 A HN 0.505 nan 8.150 nan 0.000 0.442 4601 A N -0.528 122.345 122.820 0.090 0.000 1.898 4601 A HA -0.119 4.201 4.320 0.000 0.000 0.216 4601 A C 1.943 179.602 177.584 0.125 0.000 1.181 4601 A CA 1.674 53.801 52.037 0.150 0.000 0.620 4601 A CB -0.369 18.747 19.000 0.195 0.000 0.819 4601 A HN 0.453 nan 8.150 nan 0.000 0.442 4602 E N 0.133 120.385 120.200 0.085 0.000 2.107 4602 E HA -0.055 4.295 4.350 0.000 0.000 0.191 4602 E C 2.242 178.881 176.600 0.065 0.000 0.982 4602 E CA 1.242 57.684 56.400 0.070 0.000 0.809 4602 E CB -0.422 29.308 29.700 0.049 0.000 0.756 4602 E HN 0.538 nan 8.360 nan 0.000 0.459 4603 S N 0.426 116.160 115.700 0.057 0.000 2.406 4603 S HA -0.055 4.415 4.470 0.000 0.000 0.228 4603 S C 2.039 176.675 174.600 0.060 0.000 1.020 4603 S CA 1.066 59.296 58.200 0.049 0.000 0.965 4603 S CB -0.108 63.113 63.200 0.036 0.000 0.798 4603 S HN 0.255 nan 8.310 nan 0.000 0.488 4604 T N 1.847 116.448 114.554 0.078 0.000 2.777 4604 T HA -0.085 4.265 4.350 0.000 0.000 0.266 4604 T C 1.847 176.623 174.700 0.128 0.000 1.040 4604 T CA 1.045 63.206 62.100 0.103 0.000 1.141 4604 T CB -0.252 68.694 68.868 0.131 0.000 0.868 4604 T HN 0.356 nan 8.240 nan 0.000 0.444 4605 E N 0.964 121.247 120.200 0.138 0.000 2.110 4605 E HA -0.155 4.195 4.350 0.000 0.000 0.193 4605 E C 2.167 178.812 176.600 0.074 0.000 0.988 4605 E CA 0.869 57.338 56.400 0.115 0.000 0.804 4605 E CB -0.268 29.497 29.700 0.107 0.000 0.745 4605 E HN 0.331 nan 8.360 nan 0.000 0.458 4606 M N 0.937 120.577 119.600 0.065 0.000 2.067 4606 M HA -0.164 4.316 4.480 0.000 0.000 0.260 4606 M C 2.495 178.824 176.300 0.049 0.000 1.069 4606 M CA 1.145 56.476 55.300 0.051 0.000 1.117 4606 M CB -0.862 31.765 32.600 0.046 0.000 1.334 4606 M HN 0.276 nan 8.290 nan 0.000 0.407 4607 L N 0.675 121.929 121.223 0.052 0.000 2.013 4607 L HA -0.264 4.076 4.340 0.000 0.000 0.212 4607 L C 2.284 179.180 176.870 0.043 0.000 1.073 4607 L CA 1.461 56.329 54.840 0.048 0.000 0.753 4607 L CB -0.393 41.692 42.059 0.044 0.000 0.890 4607 L HN 0.356 nan 8.230 nan 0.000 0.432 4608 L N -0.643 120.609 121.223 0.049 0.000 2.201 4608 L HA -0.191 4.149 4.340 0.000 0.000 0.212 4608 L C 2.720 179.602 176.870 0.021 0.000 1.105 4608 L CA 0.912 55.772 54.840 0.033 0.000 0.775 4608 L CB -0.522 41.562 42.059 0.042 0.000 0.913 4608 L HN 0.315 nan 8.230 nan 0.000 0.440 4609 R N 0.188 120.707 120.500 0.031 0.000 2.193 4609 R HA -0.017 4.323 4.340 0.000 0.000 0.213 4609 R C 0.627 176.944 176.300 0.028 0.000 1.055 4609 R CA 0.275 56.392 56.100 0.029 0.000 0.995 4609 R CB 0.306 30.627 30.300 0.034 0.000 0.893 4609 R HN 0.104 nan 8.270 nan 0.000 0.459 4610 I N 3.084 123.673 120.570 0.033 0.000 2.471 4610 I HA -0.021 4.149 4.170 0.000 0.000 0.286 4610 I C 0.188 176.326 176.117 0.035 0.000 1.079 4610 I CA 0.307 61.629 61.300 0.037 0.000 1.398 4610 I CB 1.125 39.153 38.000 0.047 0.000 1.403 4610 I HN 0.219 nan 8.210 nan 0.000 0.530 4611 D N 2.694 123.115 120.400 0.034 0.000 2.540 4611 D HA 0.152 4.792 4.640 0.000 0.000 0.229 4611 D C -0.207 176.119 176.300 0.045 0.000 1.250 4611 D CA -0.137 53.883 54.000 0.033 0.000 0.817 4611 D CB 0.461 41.272 40.800 0.018 0.000 1.060 4611 D HN 0.360 nan 8.370 nan 0.000 0.508 4612 D N 0.209 120.640 120.400 0.050 0.000 2.738 4612 D HA 0.265 4.905 4.640 0.000 0.000 0.218 4612 D C -1.647 174.685 176.300 0.054 0.000 1.345 4612 D CA -0.440 53.591 54.000 0.051 0.000 0.943 4612 D CB 1.997 42.815 40.800 0.031 0.000 1.514 4612 D HN -0.163 nan 8.370 nan 0.000 0.585 4613 V N 4.355 124.314 119.914 0.075 0.000 2.444 4613 V HA 0.554 4.674 4.120 0.000 0.000 0.294 4613 V C -0.135 175.975 176.094 0.026 0.000 1.022 4613 V CA -0.666 61.674 62.300 0.065 0.000 0.850 4613 V CB 1.544 33.432 31.823 0.108 0.000 0.992 4613 V HN 0.416 nan 8.190 nan 0.000 0.426 4614 I N 4.220 124.787 120.570 -0.005 0.000 2.382 4614 I HA 0.681 4.851 4.170 0.000 0.000 0.285 4614 I C 0.367 176.460 176.117 -0.040 0.000 1.007 4614 I CA -0.248 61.030 61.300 -0.037 0.000 1.142 4614 I CB 1.835 39.816 38.000 -0.031 0.000 1.289 4614 I HN 0.645 nan 8.210 nan 0.000 0.453 4615 A N 5.394 128.177 122.820 -0.061 0.000 2.394 4615 A HA 0.862 5.182 4.320 0.000 0.000 0.333 4615 A C 0.341 177.896 177.584 -0.049 0.000 1.397 4615 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 4615 A CB 0.224 19.184 19.000 -0.067 0.000 1.147 4615 A HN 0.752 nan 8.150 nan 0.000 0.505 4616 A N 2.011 124.810 122.820 -0.035 0.000 2.425 4616 A HA 0.501 4.821 4.320 0.000 0.000 0.242 4616 A C 0.584 178.155 177.584 -0.022 0.000 1.077 4616 A CA -0.067 51.953 52.037 -0.029 0.000 0.781 4616 A CB 0.115 19.102 19.000 -0.021 0.000 1.020 4616 A HN 0.861 nan 8.150 nan 0.000 0.494 4617 E N 0.000 120.188 120.200 -0.020 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 -0.013 0.000 0.976 4617 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 4617 E HN 0.000 nan 8.360 nan 0.000 0.440