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_G DATA FIRST_RESID 3079 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 3079 V HA 0.000 nan 4.120 nan 0.000 0.244 3079 V C 0.000 176.084 176.094 -0.017 0.000 1.182 3079 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 3079 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 3080 L N 2.408 123.619 121.223 -0.021 0.000 2.325 3080 L HA 0.621 4.961 4.340 0.000 0.000 0.278 3080 L C -2.351 174.504 176.870 -0.024 0.000 1.023 3080 L CA -1.585 53.239 54.840 -0.026 0.000 0.811 3080 L CB 1.048 43.087 42.059 -0.035 0.000 1.249 3080 L HN 0.158 nan 8.230 nan 0.000 0.431 3081 P HA 0.046 nan 4.420 nan 0.000 0.265 3081 P C -0.583 176.703 177.300 -0.024 0.000 1.193 3081 P CA -0.301 62.787 63.100 -0.021 0.000 0.765 3081 P CB 0.493 32.181 31.700 -0.019 0.000 0.823 3082 E N 2.920 123.108 120.200 -0.020 0.000 2.376 3082 E HA 0.040 4.391 4.350 0.000 0.000 0.266 3082 E C 0.507 177.094 176.600 -0.020 0.000 1.009 3082 E CA 0.620 57.008 56.400 -0.021 0.000 0.902 3082 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 3082 E HN 0.395 nan 8.360 nan 0.000 0.439 3083 N N 1.953 120.638 118.700 -0.025 0.000 2.990 3083 N HA -0.199 4.541 4.740 0.000 0.000 0.163 3083 N C -0.159 175.331 175.510 -0.034 0.000 1.452 3083 N CA 0.654 53.691 53.050 -0.022 0.000 1.624 3083 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 3083 N HN 0.583 nan 8.380 nan 0.000 0.695 3084 M N 2.842 122.416 119.600 -0.043 0.000 2.248 3084 M HA 0.066 4.546 4.480 0.000 0.000 0.345 3084 M C -0.452 175.789 176.300 -0.098 0.000 1.243 3084 M CA 0.666 55.930 55.300 -0.061 0.000 1.090 3084 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 3084 M HN -0.122 nan 8.290 nan 0.000 0.450 3085 K N 5.196 125.519 120.400 -0.129 0.000 2.259 3085 K HA 0.538 4.858 4.320 0.000 0.000 0.252 3085 K C -1.123 175.275 176.600 -0.336 0.000 0.936 3085 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 3085 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 3085 K HN 0.770 nan 8.250 nan 0.000 0.427 3086 R N 2.144 122.332 120.500 -0.519 0.000 2.604 3086 R HA 0.422 4.762 4.340 0.000 0.000 0.281 3086 R C -1.483 174.466 176.300 -0.584 0.000 1.020 3086 R CA -0.529 55.322 56.100 -0.414 0.000 0.899 3086 R CB 1.207 31.389 30.300 -0.198 0.000 1.205 3086 R HN 0.601 nan 8.270 nan 0.000 0.450 3087 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 3087 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 3087 Y C 0.154 176.058 175.900 0.007 0.000 0.990 3087 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 3087 Y CB 2.376 40.852 38.460 0.027 0.000 1.259 3087 Y HN 0.409 nan 8.280 nan 0.000 0.461 3088 M N 0.857 120.554 119.600 0.162 0.000 2.520 3088 M HA 0.772 5.252 4.480 0.000 0.000 0.280 3088 M C 0.052 176.394 176.300 0.070 0.000 1.232 3088 M CA -0.181 55.171 55.300 0.087 0.000 0.892 3088 M CB 1.224 33.852 32.600 0.046 0.000 1.728 3088 M HN 0.898 nan 8.290 nan 0.000 0.475 3089 G N 2.712 111.538 108.800 0.045 0.000 2.622 3089 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 3089 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 3089 G C 0.642 175.556 174.900 0.022 0.000 1.226 3089 G CA 1.334 46.448 45.100 0.024 0.000 0.997 3089 G HN 1.189 nan 8.290 nan 0.000 0.551 3090 R N 0.363 120.873 120.500 0.016 0.000 2.096 3090 R HA -0.070 4.270 4.340 0.000 0.000 0.235 3090 R C 2.155 178.467 176.300 0.020 0.000 1.127 3090 R CA 2.199 58.304 56.100 0.009 0.000 0.968 3090 R CB -0.405 29.898 30.300 0.005 0.000 0.861 3090 R HN 0.612 nan 8.270 nan 0.000 0.440 3091 D N 0.044 120.474 120.400 0.050 0.000 2.183 3091 D HA -0.074 4.566 4.640 0.000 0.000 0.203 3091 D C 1.701 178.034 176.300 0.056 0.000 0.969 3091 D CA 1.224 55.267 54.000 0.071 0.000 0.842 3091 D CB -0.061 40.833 40.800 0.156 0.000 0.957 3091 D HN 0.374 nan 8.370 nan 0.000 0.484 3092 A N 1.228 124.107 122.820 0.099 0.000 1.877 3092 A HA -0.191 4.129 4.320 0.000 0.000 0.216 3092 A C 2.155 179.759 177.584 0.034 0.000 1.186 3092 A CA 1.177 53.274 52.037 0.100 0.000 0.620 3092 A CB -0.360 18.706 19.000 0.111 0.000 0.822 3092 A HN 0.067 nan 8.150 nan 0.000 0.443 3093 Q N -0.707 119.103 119.800 0.017 0.000 2.079 3093 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 3093 Q C 2.266 178.251 176.000 -0.026 0.000 0.974 3093 Q CA 1.606 57.407 55.803 -0.003 0.000 0.840 3093 Q CB -0.379 28.353 28.738 -0.010 0.000 0.898 3093 Q HN 0.758 nan 8.270 nan 0.000 0.430 3094 R N -0.158 120.321 120.500 -0.035 0.000 2.066 3094 R HA -0.060 4.280 4.340 0.000 0.000 0.232 3094 R C 2.156 178.395 176.300 -0.103 0.000 1.131 3094 R CA 1.095 57.161 56.100 -0.056 0.000 0.955 3094 R CB 0.049 30.322 30.300 -0.045 0.000 0.851 3094 R HN 0.135 nan 8.270 nan 0.000 0.432 3095 M N 0.763 120.276 119.600 -0.145 0.000 2.229 3095 M HA -0.104 4.376 4.480 0.000 0.000 0.264 3095 M C 1.646 177.785 176.300 -0.268 0.000 1.063 3095 M CA 1.411 56.568 55.300 -0.238 0.000 1.114 3095 M CB -1.095 31.249 32.600 -0.426 0.000 1.387 3095 M HN 0.293 nan 8.290 nan 0.000 0.420 3096 N N 0.223 118.842 118.700 -0.135 0.000 2.171 3096 N HA -0.058 4.682 4.740 0.000 0.000 0.184 3096 N C 1.834 177.265 175.510 -0.132 0.000 1.021 3096 N CA 1.050 54.029 53.050 -0.117 0.000 0.854 3096 N CB 0.083 38.576 38.487 0.009 0.000 0.994 3096 N HN 0.297 nan 8.380 nan 0.000 0.426 3097 I N 0.904 121.419 120.570 -0.091 0.000 2.286 3097 I HA -0.232 3.938 4.170 0.000 0.000 0.248 3097 I C 1.902 177.959 176.117 -0.099 0.000 1.115 3097 I CA 0.709 61.967 61.300 -0.070 0.000 1.392 3097 I CB -0.027 37.948 38.000 -0.042 0.000 1.065 3097 I HN 0.076 nan 8.210 nan 0.000 0.418 3098 L N 0.715 121.858 121.223 -0.133 0.000 2.005 3098 L HA -0.143 4.197 4.340 0.000 0.000 0.207 3098 L C 2.728 179.493 176.870 -0.176 0.000 1.072 3098 L CA 2.191 56.948 54.840 -0.138 0.000 0.744 3098 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 3098 L HN 0.190 nan 8.230 nan 0.000 0.433 3099 A N -0.578 122.065 122.820 -0.295 0.000 1.917 3099 A HA -0.169 4.151 4.320 0.000 0.000 0.219 3099 A C 2.398 179.870 177.584 -0.188 0.000 1.182 3099 A CA 1.956 53.789 52.037 -0.341 0.000 0.633 3099 A CB -1.417 17.133 19.000 -0.750 0.000 0.819 3099 A HN 0.463 nan 8.150 nan 0.000 0.448 3100 G N -0.902 107.806 108.800 -0.154 0.000 2.404 3100 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 3100 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 3100 G C 1.751 176.609 174.900 -0.071 0.000 1.174 3100 G CA 1.019 46.068 45.100 -0.086 0.000 0.780 3100 G HN 0.566 nan 8.290 nan 0.000 0.537 3101 R N 0.014 120.470 120.500 -0.074 0.000 2.092 3101 R HA 0.068 4.408 4.340 0.000 0.000 0.231 3101 R C 2.541 178.806 176.300 -0.059 0.000 1.119 3101 R CA 0.912 56.975 56.100 -0.061 0.000 0.970 3101 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 3101 R HN 0.424 nan 8.270 nan 0.000 0.440 3102 I N 0.731 121.259 120.570 -0.070 0.000 2.208 3102 I HA -0.311 3.859 4.170 0.000 0.000 0.245 3102 I C 2.043 178.132 176.117 -0.047 0.000 1.097 3102 I CA 0.923 62.187 61.300 -0.059 0.000 1.363 3102 I CB -0.211 37.747 38.000 -0.070 0.000 1.051 3102 I HN 0.212 nan 8.210 nan 0.000 0.413 3103 I N 1.026 121.567 120.570 -0.049 0.000 2.179 3103 I HA -0.276 3.894 4.170 0.000 0.000 0.242 3103 I C 2.857 178.954 176.117 -0.033 0.000 1.088 3103 I CA 1.768 63.047 61.300 -0.035 0.000 1.357 3103 I CB -1.530 36.451 38.000 -0.032 0.000 1.051 3103 I HN 0.192 nan 8.210 nan 0.000 0.409 3104 A N 0.282 123.079 122.820 -0.039 0.000 1.933 3104 A HA -0.186 4.134 4.320 0.000 0.000 0.218 3104 A C 2.159 179.721 177.584 -0.036 0.000 1.175 3104 A CA 1.371 53.385 52.037 -0.038 0.000 0.628 3104 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 3104 A HN 0.369 nan 8.150 nan 0.000 0.444 3105 E N -0.458 119.720 120.200 -0.037 0.000 2.106 3105 E HA -0.106 4.244 4.350 0.000 0.000 0.192 3105 E C 2.085 178.668 176.600 -0.029 0.000 0.984 3105 E CA 1.614 57.993 56.400 -0.033 0.000 0.806 3105 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 3105 E HN 0.601 nan 8.360 nan 0.000 0.458 3106 T N 1.047 115.585 114.554 -0.027 0.000 2.770 3106 T HA -0.091 4.259 4.350 0.000 0.000 0.263 3106 T C 2.124 176.812 174.700 -0.020 0.000 1.039 3106 T CA 1.638 63.725 62.100 -0.022 0.000 1.142 3106 T CB -0.111 68.746 68.868 -0.018 0.000 0.868 3106 T HN 0.200 nan 8.240 nan 0.000 0.435 3107 V N 1.879 121.780 119.914 -0.022 0.000 2.788 3107 V HA 0.050 4.170 4.120 0.000 0.000 0.251 3107 V C 2.345 178.425 176.094 -0.023 0.000 1.068 3107 V CA 1.125 63.413 62.300 -0.020 0.000 1.090 3107 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 3107 V HN 0.464 nan 8.190 nan 0.000 0.467 3108 R N 2.719 123.202 120.500 -0.028 0.000 2.193 3108 R HA -0.078 4.262 4.340 0.000 0.000 0.229 3108 R C 2.009 178.291 176.300 -0.030 0.000 1.110 3108 R CA 1.666 57.748 56.100 -0.031 0.000 0.988 3108 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 3108 R HN 0.681 nan 8.270 nan 0.000 0.458 3109 S N 0.186 115.869 115.700 -0.027 0.000 2.555 3109 S HA -0.077 4.393 4.470 0.000 0.000 0.230 3109 S C 1.693 176.277 174.600 -0.026 0.000 0.978 3109 S CA 0.785 58.969 58.200 -0.027 0.000 0.934 3109 S CB 0.061 63.247 63.200 -0.024 0.000 0.766 3109 S HN 0.588 nan 8.310 nan 0.000 0.533 3110 T N -1.170 113.370 114.554 -0.024 0.000 3.014 3110 T HA 0.328 4.678 4.350 0.000 0.000 0.250 3110 T C 0.391 175.077 174.700 -0.024 0.000 1.060 3110 T CA -0.452 61.636 62.100 -0.021 0.000 1.040 3110 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 3110 T HN 0.266 nan 8.240 nan 0.000 0.497 3111 L N 2.759 123.966 121.223 -0.028 0.000 2.410 3111 L HA 0.557 4.897 4.340 0.000 0.000 0.273 3111 L C 0.636 177.482 176.870 -0.040 0.000 1.152 3111 L CA 1.557 56.379 54.840 -0.030 0.000 0.855 3111 L CB -0.371 41.669 42.059 -0.031 0.000 1.129 3111 L HN 0.735 nan 8.230 nan 0.000 0.463 3112 G N 3.938 112.714 108.800 -0.040 0.000 2.662 3112 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 3112 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 3112 G C -2.146 172.706 174.900 -0.079 0.000 1.271 3112 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 3112 G HN 0.488 nan 8.290 nan 0.000 0.608 3113 P HA -0.024 nan 4.420 nan 0.000 0.217 3113 P C 1.444 178.651 177.300 -0.154 0.000 1.148 3113 P CA 1.490 64.478 63.100 -0.187 0.000 0.828 3113 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 3114 K N -1.011 119.300 120.400 -0.150 0.000 2.410 3114 K HA 0.243 4.563 4.320 0.000 0.000 0.200 3114 K C 1.035 177.594 176.600 -0.069 0.000 1.023 3114 K CA -0.182 56.042 56.287 -0.105 0.000 1.149 3114 K CB -0.128 32.306 32.500 -0.111 0.000 0.859 3114 K HN 0.040 nan 8.250 nan 0.000 0.514 3115 G N 0.532 109.295 108.800 -0.061 0.000 2.527 3115 G HA2 0.200 4.160 3.960 0.000 0.000 0.248 3115 G HA3 0.200 4.160 3.960 0.000 0.000 0.248 3115 G C -0.020 174.861 174.900 -0.032 0.000 1.231 3115 G CA -0.421 44.654 45.100 -0.042 0.000 0.838 3115 G HN -0.054 nan 8.290 nan 0.000 0.570 3116 M N 0.155 119.739 119.600 -0.026 0.000 2.531 3116 M HA 0.427 4.907 4.480 0.000 0.000 0.262 3116 M C -0.609 175.682 176.300 -0.015 0.000 1.168 3116 M CA -0.546 54.742 55.300 -0.020 0.000 0.926 3116 M CB 1.384 33.971 32.600 -0.021 0.000 1.445 3116 M HN 0.351 nan 8.290 nan 0.000 0.531 3117 D N 0.331 120.724 120.400 -0.013 0.000 2.374 3117 D HA 0.505 5.145 4.640 0.000 0.000 0.239 3117 D C -0.624 175.669 176.300 -0.011 0.000 0.991 3117 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 3117 D CB 1.382 42.179 40.800 -0.005 0.000 1.284 3117 D HN 0.100 nan 8.370 nan 0.000 0.512 3118 K N 0.682 121.078 120.400 -0.007 0.000 2.259 3118 K HA 0.503 4.823 4.320 0.000 0.000 0.249 3118 K C -0.678 175.918 176.600 -0.007 0.000 0.942 3118 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 3118 K CB 2.320 34.817 32.500 -0.004 0.000 1.155 3118 K HN 0.438 nan 8.250 nan 0.000 0.428 3119 M N 3.626 123.219 119.600 -0.012 0.000 2.046 3119 M HA 0.287 4.767 4.480 0.000 0.000 0.309 3119 M C -1.682 174.615 176.300 -0.004 0.000 0.935 3119 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 3119 M CB 0.532 33.111 32.600 -0.035 0.000 1.474 3119 M HN 0.348 nan 8.290 nan 0.000 0.415 3120 L N 6.000 127.228 121.223 0.009 0.000 2.280 3120 L HA 0.529 4.869 4.340 0.000 0.000 0.287 3120 L C -0.859 176.024 176.870 0.021 0.000 1.023 3120 L CA -0.332 54.516 54.840 0.013 0.000 0.819 3120 L CB 1.758 43.826 42.059 0.016 0.000 1.212 3120 L HN 0.408 nan 8.230 nan 0.000 0.420 3121 V N 2.829 122.752 119.914 0.015 0.000 2.378 3121 V HA 0.342 4.462 4.120 0.000 0.000 0.288 3121 V C -0.152 175.953 176.094 0.017 0.000 1.016 3121 V CA -0.959 61.353 62.300 0.019 0.000 0.840 3121 V CB 1.397 33.228 31.823 0.013 0.000 0.994 3121 V HN 0.798 nan 8.190 nan 0.000 0.431 3122 D N 3.554 123.966 120.400 0.021 0.000 2.380 3122 D HA -0.008 4.632 4.640 0.000 0.000 0.254 3122 D C 1.042 177.351 176.300 0.014 0.000 1.288 3122 D CA -0.218 53.792 54.000 0.017 0.000 1.008 3122 D CB 0.480 41.290 40.800 0.017 0.000 1.099 3122 D HN 0.562 nan 8.370 nan 0.000 0.537 3123 D N -0.885 119.522 120.400 0.012 0.000 2.371 3123 D HA -0.121 4.519 4.640 0.000 0.000 0.221 3123 D C 1.595 177.901 176.300 0.011 0.000 0.986 3123 D CA 0.494 54.501 54.000 0.011 0.000 0.899 3123 D CB -0.165 40.640 40.800 0.010 0.000 0.902 3123 D HN 0.390 nan 8.370 nan 0.000 0.530 3124 L N -0.943 120.287 121.223 0.012 0.000 2.590 3124 L HA 0.322 4.662 4.340 0.000 0.000 0.227 3124 L C 1.749 178.628 176.870 0.015 0.000 1.099 3124 L CA 0.494 55.341 54.840 0.012 0.000 0.872 3124 L CB 0.339 42.406 42.059 0.012 0.000 1.088 3124 L HN 0.287 nan 8.230 nan 0.000 0.479 3125 G N -0.231 108.579 108.800 0.017 0.000 2.201 3125 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 3125 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 3125 G C 0.061 174.979 174.900 0.030 0.000 0.994 3125 G CA -0.063 45.049 45.100 0.020 0.000 0.644 3125 G HN 0.305 nan 8.290 nan 0.000 0.508 3126 D N 1.282 121.701 120.400 0.032 0.000 2.434 3126 D HA 0.376 5.016 4.640 0.000 0.000 0.252 3126 D C 0.523 176.860 176.300 0.062 0.000 1.185 3126 D CA 0.240 54.267 54.000 0.044 0.000 0.886 3126 D CB 1.086 41.905 40.800 0.031 0.000 1.148 3126 D HN 0.230 nan 8.370 nan 0.000 0.483 3127 V N 4.885 124.863 119.914 0.107 0.000 2.370 3127 V HA 0.260 4.380 4.120 0.000 0.000 0.279 3127 V C 0.230 176.466 176.094 0.237 0.000 1.029 3127 V CA -0.833 61.547 62.300 0.134 0.000 0.870 3127 V CB 1.618 33.502 31.823 0.103 0.000 0.984 3127 V HN 0.327 nan 8.190 nan 0.000 0.451 3128 V N 6.019 126.013 119.914 0.134 0.000 2.357 3128 V HA 0.422 4.542 4.120 0.000 0.000 0.284 3128 V C -0.161 175.997 176.094 0.107 0.000 1.018 3128 V CA -0.507 61.875 62.300 0.137 0.000 0.841 3128 V CB 1.802 33.668 31.823 0.071 0.000 0.991 3128 V HN 0.606 nan 8.190 nan 0.000 0.437 3129 V N 4.670 124.689 119.914 0.173 0.000 2.350 3129 V HA 0.710 4.830 4.120 0.000 0.000 0.285 3129 V C 0.074 176.217 176.094 0.083 0.000 1.014 3129 V CA 0.027 62.371 62.300 0.075 0.000 0.831 3129 V CB 1.552 33.364 31.823 -0.018 0.000 1.000 3129 V HN 0.979 nan 8.190 nan 0.000 0.433 3130 T N 2.717 117.297 114.554 0.043 0.000 2.792 3130 T HA 0.334 4.684 4.350 0.000 0.000 0.303 3130 T C 0.150 174.861 174.700 0.017 0.000 1.310 3130 T CA -0.342 61.778 62.100 0.034 0.000 1.007 3130 T CB 2.140 71.028 68.868 0.032 0.000 1.335 3130 T HN 0.560 nan 8.240 nan 0.000 0.504 3131 N N 0.285 118.994 118.700 0.014 0.000 2.257 3131 N HA 0.118 4.858 4.740 0.000 0.000 0.200 3131 N C -0.805 174.707 175.510 0.004 0.000 1.163 3131 N CA 0.083 53.136 53.050 0.006 0.000 0.891 3131 N CB 0.463 38.953 38.487 0.005 0.000 1.067 3131 N HN 0.610 nan 8.380 nan 0.000 0.497 3132 D N -0.010 120.395 120.400 0.008 0.000 2.401 3132 D HA 0.157 4.797 4.640 0.000 0.000 0.254 3132 D C 1.369 177.671 176.300 0.003 0.000 1.192 3132 D CA 0.211 54.214 54.000 0.005 0.000 0.885 3132 D CB 1.116 41.921 40.800 0.008 0.000 1.147 3132 D HN 0.250 nan 8.370 nan 0.000 0.478 3133 G N 1.625 110.424 108.800 -0.001 0.000 2.421 3133 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 3133 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 3133 G C 1.537 176.436 174.900 -0.001 0.000 1.171 3133 G CA 0.326 45.424 45.100 -0.003 0.000 0.775 3133 G HN 0.461 nan 8.290 nan 0.000 0.543 3134 V N 0.827 120.741 119.914 0.000 0.000 2.490 3134 V HA -0.129 3.991 4.120 0.000 0.000 0.250 3134 V C 2.925 179.021 176.094 0.005 0.000 1.061 3134 V CA 2.878 65.180 62.300 0.002 0.000 1.064 3134 V CB -0.615 31.210 31.823 0.002 0.000 0.670 3134 V HN 0.403 nan 8.190 nan 0.000 0.461 3135 T N 0.536 115.093 114.554 0.006 0.000 2.812 3135 T HA -0.045 4.305 4.350 0.000 0.000 0.264 3135 T C 1.759 176.465 174.700 0.009 0.000 1.042 3135 T CA 1.912 64.017 62.100 0.008 0.000 1.140 3135 T CB -0.261 68.613 68.868 0.010 0.000 0.870 3135 T HN 0.474 nan 8.240 nan 0.000 0.445 3136 I N 0.652 121.227 120.570 0.008 0.000 2.264 3136 I HA -0.149 4.021 4.170 0.000 0.000 0.248 3136 I C 2.013 178.134 176.117 0.007 0.000 1.111 3136 I CA 0.915 62.219 61.300 0.007 0.000 1.382 3136 I CB -0.271 37.731 38.000 0.003 0.000 1.060 3136 I HN 0.163 nan 8.210 nan 0.000 0.418 3137 L N 0.230 121.456 121.223 0.005 0.000 2.156 3137 L HA -0.100 4.240 4.340 0.000 0.000 0.208 3137 L C 2.523 179.399 176.870 0.009 0.000 1.095 3137 L CA 1.616 56.460 54.840 0.006 0.000 0.770 3137 L CB -0.765 41.297 42.059 0.004 0.000 0.914 3137 L HN 0.095 nan 8.230 nan 0.000 0.439 3138 R N -0.850 119.655 120.500 0.009 0.000 2.075 3138 R HA -0.097 4.243 4.340 0.000 0.000 0.232 3138 R C 2.033 178.340 176.300 0.011 0.000 1.126 3138 R CA 0.956 57.062 56.100 0.010 0.000 0.963 3138 R CB -0.111 30.194 30.300 0.009 0.000 0.858 3138 R HN 0.319 nan 8.270 nan 0.000 0.435 3139 E N 0.874 121.081 120.200 0.012 0.000 2.086 3139 E HA -0.060 4.290 4.350 0.000 0.000 0.190 3139 E C 1.223 177.831 176.600 0.013 0.000 0.975 3139 E CA 0.502 56.910 56.400 0.013 0.000 0.813 3139 E CB -0.125 29.584 29.700 0.015 0.000 0.768 3139 E HN 0.355 nan 8.360 nan 0.000 0.457 3140 M N -0.037 119.570 119.600 0.012 0.000 2.240 3140 M HA 0.091 4.571 4.480 0.000 0.000 0.317 3140 M C 0.509 176.818 176.300 0.014 0.000 1.087 3140 M CA 0.356 55.663 55.300 0.012 0.000 1.176 3140 M CB 0.541 33.147 32.600 0.010 0.000 1.439 3140 M HN -0.257 nan 8.290 nan 0.000 0.452 3141 S N 2.204 117.913 115.700 0.015 0.000 2.473 3141 S HA 0.439 4.909 4.470 0.000 0.000 0.312 3141 S C -0.730 173.884 174.600 0.023 0.000 1.087 3141 S CA -0.790 57.421 58.200 0.018 0.000 1.077 3141 S CB -0.281 62.929 63.200 0.017 0.000 1.065 3141 S HN 0.516 nan 8.310 nan 0.000 0.510 3142 V N 5.667 125.597 119.914 0.027 0.000 2.439 3142 V HA 0.399 4.519 4.120 0.000 0.000 0.282 3142 V C 0.721 176.843 176.094 0.047 0.000 1.039 3142 V CA -0.379 61.944 62.300 0.038 0.000 0.913 3142 V CB 1.637 33.483 31.823 0.038 0.000 0.983 3142 V HN 0.779 nan 8.190 nan 0.000 0.460 3143 E N 1.087 121.326 120.200 0.065 0.000 2.256 3143 E HA 0.084 4.434 4.350 0.000 0.000 0.198 3143 E C 0.726 177.375 176.600 0.082 0.000 0.908 3143 E CA 0.072 56.509 56.400 0.062 0.000 0.915 3143 E CB 0.001 29.736 29.700 0.058 0.000 0.890 3143 E HN 0.692 nan 8.360 nan 0.000 0.484 3144 H N 2.794 121.880 119.070 0.028 0.000 2.886 3144 H HA 0.024 4.580 4.556 0.000 0.000 0.329 3144 H C -1.713 173.631 175.328 0.027 0.000 1.044 3144 H CA -1.269 54.799 56.048 0.033 0.000 1.456 3144 H CB 1.448 31.214 29.762 0.007 0.000 1.464 3144 H HN -0.191 nan 8.280 nan 0.000 0.573 3145 P HA -0.125 nan 4.420 nan 0.000 0.218 3145 P C 1.050 178.468 177.300 0.197 0.000 1.148 3145 P CA 1.942 65.096 63.100 0.091 0.000 0.822 3145 P CB 0.146 31.848 31.700 0.004 0.000 0.784 3146 A N 0.004 123.083 122.820 0.431 0.000 1.898 3146 A HA -0.045 4.275 4.320 0.000 0.000 0.216 3146 A C 2.315 179.950 177.584 0.084 0.000 1.181 3146 A CA 1.884 54.043 52.037 0.204 0.000 0.620 3146 A CB -1.540 17.512 19.000 0.086 0.000 0.819 3146 A HN 0.187 nan 8.150 nan 0.000 0.442 3147 A N -0.117 122.751 122.820 0.080 0.000 1.972 3147 A HA -0.136 4.184 4.320 0.000 0.000 0.219 3147 A C 2.071 179.682 177.584 0.045 0.000 1.169 3147 A CA 1.727 53.782 52.037 0.029 0.000 0.635 3147 A CB -0.390 18.624 19.000 0.023 0.000 0.810 3147 A HN 0.546 nan 8.150 nan 0.000 0.446 3148 K N -0.974 119.469 120.400 0.070 0.000 2.097 3148 K HA -0.058 4.262 4.320 0.000 0.000 0.205 3148 K C 1.890 178.514 176.600 0.041 0.000 1.050 3148 K CA 1.342 57.659 56.287 0.051 0.000 0.938 3148 K CB -0.207 32.325 32.500 0.053 0.000 0.718 3148 K HN 0.358 nan 8.250 nan 0.000 0.442 3149 M N 0.593 120.222 119.600 0.048 0.000 2.254 3149 M HA -0.066 4.414 4.480 0.000 0.000 0.265 3149 M C 2.152 178.467 176.300 0.026 0.000 1.066 3149 M CA 1.132 56.454 55.300 0.037 0.000 1.123 3149 M CB -0.656 31.971 32.600 0.043 0.000 1.388 3149 M HN 0.204 nan 8.290 nan 0.000 0.425 3150 L N 0.108 121.344 121.223 0.021 0.000 2.083 3150 L HA -0.201 4.139 4.340 0.000 0.000 0.209 3150 L C 2.216 179.091 176.870 0.009 0.000 1.083 3150 L CA 1.036 55.882 54.840 0.010 0.000 0.752 3150 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 3150 L HN 0.189 nan 8.230 nan 0.000 0.433 3151 I N -0.449 120.129 120.570 0.013 0.000 2.286 3151 I HA -0.283 3.887 4.170 0.000 0.000 0.248 3151 I C 2.439 178.563 176.117 0.012 0.000 1.115 3151 I CA 1.008 62.315 61.300 0.012 0.000 1.392 3151 I CB -0.319 37.691 38.000 0.015 0.000 1.065 3151 I HN 0.277 nan 8.210 nan 0.000 0.418 3152 E N 0.470 120.679 120.200 0.015 0.000 2.110 3152 E HA -0.156 4.194 4.350 0.000 0.000 0.193 3152 E C 2.430 179.038 176.600 0.012 0.000 0.988 3152 E CA 1.110 57.519 56.400 0.014 0.000 0.804 3152 E CB -0.273 29.437 29.700 0.018 0.000 0.745 3152 E HN 0.357 nan 8.360 nan 0.000 0.458 3153 V N 1.536 121.458 119.914 0.012 0.000 2.358 3153 V HA -0.231 3.889 4.120 0.000 0.000 0.246 3153 V C 2.462 178.560 176.094 0.006 0.000 1.047 3153 V CA 1.771 64.076 62.300 0.010 0.000 1.035 3153 V CB -0.819 31.009 31.823 0.009 0.000 0.658 3153 V HN 0.242 nan 8.190 nan 0.000 0.452 3154 A N -0.353 122.469 122.820 0.004 0.000 1.933 3154 A HA -0.217 4.103 4.320 0.000 0.000 0.218 3154 A C 2.284 179.870 177.584 0.004 0.000 1.175 3154 A CA 1.802 53.840 52.037 0.002 0.000 0.628 3154 A CB -0.396 18.604 19.000 0.001 0.000 0.814 3154 A HN 0.542 nan 8.150 nan 0.000 0.444 3155 K N -0.940 119.463 120.400 0.006 0.000 2.148 3155 K HA -0.062 4.258 4.320 0.000 0.000 0.204 3155 K C 1.988 178.591 176.600 0.005 0.000 1.050 3155 K CA 1.515 57.806 56.287 0.006 0.000 0.942 3155 K CB -0.278 32.227 32.500 0.007 0.000 0.724 3155 K HN 0.451 nan 8.250 nan 0.000 0.446 3156 T N 1.419 115.977 114.554 0.006 0.000 2.777 3156 T HA -0.115 4.235 4.350 0.000 0.000 0.266 3156 T C 1.810 176.513 174.700 0.005 0.000 1.040 3156 T CA 1.007 63.110 62.100 0.006 0.000 1.141 3156 T CB -0.032 68.841 68.868 0.008 0.000 0.868 3156 T HN 0.158 nan 8.240 nan 0.000 0.444 3157 Q N 0.744 120.547 119.800 0.004 0.000 2.124 3157 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 3157 Q C 2.349 178.350 176.000 0.002 0.000 0.977 3157 Q CA 1.323 57.127 55.803 0.002 0.000 0.850 3157 Q CB -0.409 28.330 28.738 0.000 0.000 0.901 3157 Q HN 0.553 nan 8.270 nan 0.000 0.429 3158 E N 1.371 121.573 120.200 0.002 0.000 2.051 3158 E HA -0.172 4.178 4.350 0.000 0.000 0.192 3158 E C 1.899 178.500 176.600 0.002 0.000 0.991 3158 E CA 1.388 57.789 56.400 0.002 0.000 0.799 3158 E CB -0.077 29.625 29.700 0.002 0.000 0.748 3158 E HN 0.055 nan 8.360 nan 0.000 0.449 3159 K N 0.057 120.459 120.400 0.002 0.000 2.057 3159 K HA -0.147 4.173 4.320 0.000 0.000 0.206 3159 K C 1.786 178.387 176.600 0.001 0.000 1.050 3159 K CA 1.379 57.666 56.287 0.001 0.000 0.935 3159 K CB 0.008 32.509 32.500 0.002 0.000 0.715 3159 K HN 0.155 nan 8.250 nan 0.000 0.439 3160 E N 0.071 120.272 120.200 0.002 0.000 2.033 3160 E HA -0.095 4.255 4.350 0.000 0.000 0.189 3160 E C 1.994 178.595 176.600 0.001 0.000 0.979 3160 E CA 1.687 58.088 56.400 0.002 0.000 0.802 3160 E CB 0.147 29.849 29.700 0.003 0.000 0.763 3160 E HN 0.340 nan 8.360 nan 0.000 0.449 3161 V N -4.823 115.092 119.914 0.001 0.000 3.562 3161 V HA 0.520 4.640 4.120 0.000 0.000 0.270 3161 V C 1.390 177.484 176.094 0.001 0.000 1.418 3161 V CA 0.856 63.157 62.300 0.001 0.000 1.033 3161 V CB 0.646 32.470 31.823 0.002 0.000 0.820 3161 V HN 0.301 nan 8.190 nan 0.000 0.441 3162 G N 0.761 109.562 108.800 0.001 0.000 4.365 3162 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 3162 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 3162 G C 0.161 175.062 174.900 0.002 0.000 1.450 3162 G CA 0.505 45.606 45.100 0.001 0.000 0.937 3162 G HN 0.627 nan 8.290 nan 0.000 0.625 3163 D N 1.169 121.570 120.400 0.003 0.000 2.506 3163 D HA 0.485 5.125 4.640 0.000 0.000 0.272 3163 D C 1.555 177.856 176.300 0.001 0.000 1.214 3163 D CA 1.171 55.172 54.000 0.003 0.000 1.067 3163 D CB 0.658 41.461 40.800 0.006 0.000 1.117 3163 D HN 1.621 nan 8.370 nan 0.000 0.578 3164 G N -0.493 108.307 108.800 -0.000 0.000 2.162 3164 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 3164 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 3164 G C 1.091 175.987 174.900 -0.007 0.000 0.976 3164 G CA 1.633 46.731 45.100 -0.004 0.000 0.655 3164 G HN 0.614 nan 8.290 nan 0.000 0.533 3165 T N -2.488 112.062 114.554 -0.006 0.000 2.674 3165 T HA -0.121 4.229 4.350 0.000 0.000 0.265 3165 T C 2.241 176.934 174.700 -0.012 0.000 1.039 3165 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 3165 T CB -0.809 68.057 68.868 -0.004 0.000 0.864 3165 T HN 0.355 nan 8.240 nan 0.000 0.427 3166 T N 2.446 116.993 114.554 -0.012 0.000 2.720 3166 T HA -0.127 4.223 4.350 0.000 0.000 0.268 3166 T C 2.435 177.120 174.700 -0.025 0.000 1.037 3166 T CA 2.144 64.234 62.100 -0.018 0.000 1.144 3166 T CB -1.039 67.819 68.868 -0.016 0.000 0.864 3166 T HN 0.843 nan 8.240 nan 0.000 0.444 3167 T N 0.767 115.307 114.554 -0.024 0.000 2.867 3167 T HA 0.100 4.450 4.350 0.000 0.000 0.268 3167 T C 2.245 176.922 174.700 -0.039 0.000 1.057 3167 T CA 1.018 63.099 62.100 -0.033 0.000 1.136 3167 T CB -0.494 68.357 68.868 -0.028 0.000 0.874 3167 T HN 0.335 nan 8.240 nan 0.000 0.466 3168 A N 1.084 123.886 122.820 -0.030 0.000 1.898 3168 A HA 0.128 4.448 4.320 0.000 0.000 0.216 3168 A C 2.606 180.169 177.584 -0.035 0.000 1.181 3168 A CA 1.473 53.491 52.037 -0.031 0.000 0.620 3168 A CB -0.959 18.030 19.000 -0.018 0.000 0.819 3168 A HN 0.426 nan 8.150 nan 0.000 0.442 3169 V N -0.543 119.353 119.914 -0.031 0.000 2.358 3169 V HA -0.191 3.929 4.120 0.000 0.000 0.246 3169 V C 2.548 178.616 176.094 -0.044 0.000 1.047 3169 V CA 1.847 64.128 62.300 -0.032 0.000 1.035 3169 V CB -0.723 31.085 31.823 -0.025 0.000 0.658 3169 V HN 0.353 nan 8.190 nan 0.000 0.452 3170 V N -0.567 119.318 119.914 -0.047 0.000 2.307 3170 V HA -0.197 3.924 4.120 0.000 0.000 0.245 3170 V C 2.449 178.499 176.094 -0.074 0.000 1.045 3170 V CA 2.049 64.316 62.300 -0.055 0.000 1.024 3170 V CB -0.257 31.535 31.823 -0.051 0.000 0.651 3170 V HN 0.416 nan 8.190 nan 0.000 0.449 3171 V N -0.006 119.857 119.914 -0.086 0.000 2.515 3171 V HA -0.168 3.952 4.120 0.000 0.000 0.250 3171 V C 2.505 178.514 176.094 -0.141 0.000 1.058 3171 V CA 1.958 64.182 62.300 -0.126 0.000 1.064 3171 V CB -0.209 31.530 31.823 -0.138 0.000 0.675 3171 V HN 0.521 nan 8.190 nan 0.000 0.461 3172 A N -0.223 122.537 122.820 -0.100 0.000 1.929 3172 A HA 0.036 4.356 4.320 0.000 0.000 0.216 3172 A C 2.325 179.869 177.584 -0.067 0.000 1.176 3172 A CA 1.585 53.574 52.037 -0.080 0.000 0.628 3172 A CB -1.133 17.839 19.000 -0.046 0.000 0.816 3172 A HN 0.586 nan 8.150 nan 0.000 0.444 3173 G N -0.371 108.391 108.800 -0.064 0.000 2.418 3173 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 3173 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 3173 G C 1.472 176.337 174.900 -0.059 0.000 1.158 3173 G CA 1.311 46.377 45.100 -0.055 0.000 0.771 3173 G HN 0.555 nan 8.290 nan 0.000 0.545 3174 E N -0.037 120.116 120.200 -0.077 0.000 2.107 3174 E HA -0.034 4.316 4.350 0.000 0.000 0.191 3174 E C 2.280 178.826 176.600 -0.090 0.000 0.982 3174 E CA 0.385 56.736 56.400 -0.082 0.000 0.809 3174 E CB -0.396 29.244 29.700 -0.101 0.000 0.756 3174 E HN 0.251 nan 8.360 nan 0.000 0.459 3175 L N 0.155 121.299 121.223 -0.131 0.000 2.083 3175 L HA -0.087 4.253 4.340 0.000 0.000 0.209 3175 L C 1.996 178.862 176.870 -0.007 0.000 1.083 3175 L CA 1.596 56.338 54.840 -0.165 0.000 0.752 3175 L CB -0.370 41.538 42.059 -0.251 0.000 0.899 3175 L HN 0.262 nan 8.230 nan 0.000 0.433 3176 L N -1.182 120.044 121.223 0.005 0.000 2.109 3176 L HA -0.151 4.189 4.340 0.000 0.000 0.207 3176 L C 2.691 179.578 176.870 0.029 0.000 1.086 3176 L CA 1.017 55.881 54.840 0.041 0.000 0.760 3176 L CB -0.484 41.579 42.059 0.007 0.000 0.910 3176 L HN 0.242 nan 8.230 nan 0.000 0.437 3177 R N 0.715 121.215 120.500 -0.000 0.000 2.091 3177 R HA -0.145 4.195 4.340 0.000 0.000 0.238 3177 R C 2.198 178.510 176.300 0.020 0.000 1.136 3177 R CA 1.477 57.575 56.100 -0.003 0.000 0.959 3177 R CB -0.115 30.172 30.300 -0.022 0.000 0.856 3177 R HN 0.068 nan 8.270 nan 0.000 0.437 3178 K N -0.088 120.333 120.400 0.035 0.000 2.155 3178 K HA 0.083 4.403 4.320 0.000 0.000 0.203 3178 K C 1.921 178.605 176.600 0.139 0.000 1.052 3178 K CA 1.125 57.456 56.287 0.074 0.000 0.948 3178 K CB -0.220 32.319 32.500 0.065 0.000 0.728 3178 K HN 0.290 nan 8.250 nan 0.000 0.448 3179 A N 1.446 124.375 122.820 0.182 0.000 1.933 3179 A HA -0.190 4.130 4.320 0.000 0.000 0.218 3179 A C 2.129 179.747 177.584 0.058 0.000 1.175 3179 A CA 1.617 53.749 52.037 0.158 0.000 0.628 3179 A CB -0.351 18.767 19.000 0.197 0.000 0.814 3179 A HN 0.421 nan 8.150 nan 0.000 0.444 3180 E N -0.410 119.816 120.200 0.042 0.000 2.106 3180 E HA -0.195 4.155 4.350 0.000 0.000 0.192 3180 E C 1.739 178.347 176.600 0.012 0.000 0.984 3180 E CA 1.030 57.438 56.400 0.014 0.000 0.806 3180 E CB -0.036 29.666 29.700 0.003 0.000 0.750 3180 E HN 0.524 nan 8.360 nan 0.000 0.458 3181 E N 0.501 120.716 120.200 0.024 0.000 2.110 3181 E HA -0.172 4.178 4.350 0.000 0.000 0.193 3181 E C 2.243 178.855 176.600 0.019 0.000 0.988 3181 E CA 0.731 57.143 56.400 0.021 0.000 0.804 3181 E CB -0.144 29.574 29.700 0.029 0.000 0.745 3181 E HN 0.403 nan 8.360 nan 0.000 0.458 3182 L N 0.061 121.300 121.223 0.026 0.000 2.093 3182 L HA -0.163 4.177 4.340 0.000 0.000 0.208 3182 L C 2.293 179.158 176.870 -0.010 0.000 1.085 3182 L CA 0.363 55.208 54.840 0.010 0.000 0.755 3182 L CB -0.284 41.775 42.059 0.000 0.000 0.904 3182 L HN 0.120 nan 8.230 nan 0.000 0.435 3183 L N -0.184 121.031 121.223 -0.014 0.000 2.141 3183 L HA -0.208 4.132 4.340 0.000 0.000 0.209 3183 L C 2.071 178.931 176.870 -0.017 0.000 1.094 3183 L CA 1.665 56.490 54.840 -0.025 0.000 0.763 3183 L CB -0.800 41.243 42.059 -0.027 0.000 0.908 3183 L HN 0.225 nan 8.230 nan 0.000 0.437 3184 D N -1.367 119.028 120.400 -0.007 0.000 2.178 3184 D HA -0.169 4.471 4.640 0.000 0.000 0.202 3184 D C 1.900 178.199 176.300 -0.002 0.000 0.974 3184 D CA 0.756 54.754 54.000 -0.004 0.000 0.841 3184 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 3184 D HN 0.218 nan 8.370 nan 0.000 0.478 3185 Q N 0.031 119.831 119.800 -0.000 0.000 2.444 3185 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 3185 Q C 0.035 176.035 176.000 0.001 0.000 0.948 3185 Q CA 0.209 56.013 55.803 0.002 0.000 0.946 3185 Q CB 0.150 28.892 28.738 0.007 0.000 1.027 3185 Q HN 0.363 nan 8.270 nan 0.000 0.513 3186 N N -0.211 118.486 118.700 -0.005 0.000 2.780 3186 N HA -0.135 4.605 4.740 0.000 0.000 0.248 3186 N C -0.904 174.607 175.510 0.002 0.000 1.102 3186 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 3186 N CB -1.768 36.721 38.487 0.003 0.000 1.028 3186 N HN 0.007 nan 8.380 nan 0.000 0.554 3187 V N 1.769 121.679 119.914 -0.006 0.000 2.408 3187 V HA 0.062 4.182 4.120 0.000 0.000 0.267 3187 V C 1.132 177.223 176.094 -0.004 0.000 1.047 3187 V CA -0.568 61.734 62.300 0.003 0.000 0.937 3187 V CB 1.126 32.941 31.823 -0.013 0.000 0.999 3187 V HN 0.287 nan 8.190 nan 0.000 0.472 3188 H N 8.312 127.361 119.070 -0.036 0.000 3.001 3188 H HA 0.026 4.582 4.556 0.000 0.000 0.334 3188 H C -1.665 173.632 175.328 -0.051 0.000 1.034 3188 H CA -1.131 54.897 56.048 -0.034 0.000 1.420 3188 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 3188 H HN 0.383 nan 8.280 nan 0.000 0.593 3189 P HA -0.187 nan 4.420 nan 0.000 0.217 3189 P C 1.414 178.738 177.300 0.041 0.000 1.148 3189 P CA 2.559 65.594 63.100 -0.109 0.000 0.834 3189 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 3190 T N -4.119 110.605 114.554 0.282 0.000 3.023 3190 T HA 0.001 4.351 4.350 0.000 0.000 0.266 3190 T C 1.752 176.481 174.700 0.047 0.000 1.093 3190 T CA 0.676 62.863 62.100 0.146 0.000 1.129 3190 T CB -1.041 67.896 68.868 0.115 0.000 0.899 3190 T HN 0.059 nan 8.240 nan 0.000 0.491 3191 I N 0.812 121.417 120.570 0.058 0.000 2.333 3191 I HA -0.048 4.122 4.170 0.000 0.000 0.246 3191 I C 2.622 178.684 176.117 -0.090 0.000 1.106 3191 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 3191 I CB -0.331 37.675 38.000 0.010 0.000 1.082 3191 I HN 0.093 nan 8.210 nan 0.000 0.420 3192 V N 1.270 121.096 119.914 -0.147 0.000 2.255 3192 V HA -0.250 3.870 4.120 0.000 0.000 0.247 3192 V C 2.562 178.314 176.094 -0.569 0.000 1.051 3192 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 3192 V CB -0.666 30.940 31.823 -0.360 0.000 0.641 3192 V HN 0.482 nan 8.190 nan 0.000 0.445 3193 V N -1.335 118.406 119.914 -0.289 0.000 2.809 3193 V HA -0.145 3.975 4.120 0.000 0.000 0.256 3193 V C 2.237 178.307 176.094 -0.040 0.000 1.080 3193 V CA 2.137 64.358 62.300 -0.132 0.000 1.102 3193 V CB -0.758 31.053 31.823 -0.021 0.000 0.705 3193 V HN 0.554 nan 8.190 nan 0.000 0.475 3194 K N 1.306 121.671 120.400 -0.057 0.000 2.025 3194 K HA -0.001 4.319 4.320 0.000 0.000 0.207 3194 K C 2.204 178.804 176.600 0.002 0.000 1.049 3194 K CA 1.662 57.938 56.287 -0.018 0.000 0.933 3194 K CB -0.814 31.672 32.500 -0.022 0.000 0.714 3194 K HN 0.525 nan 8.250 nan 0.000 0.438 3195 G N -0.147 108.646 108.800 -0.011 0.000 2.408 3195 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 3195 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 3195 G C 1.144 176.138 174.900 0.157 0.000 1.150 3195 G CA 0.557 45.695 45.100 0.064 0.000 0.776 3195 G HN 0.251 nan 8.290 nan 0.000 0.542 3196 Y N 0.397 120.673 120.300 -0.040 0.000 2.242 3196 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 3196 Y C 2.862 178.606 175.900 -0.260 0.000 1.137 3196 Y CA 1.010 59.037 58.100 -0.121 0.000 1.181 3196 Y CB -0.865 37.657 38.460 0.104 0.000 0.989 3196 Y HN 0.273 nan 8.280 nan 0.000 0.527 3197 Q N 0.310 120.141 119.800 0.052 0.000 2.083 3197 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 3197 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 3197 Q CA 1.688 57.486 55.803 -0.007 0.000 0.838 3197 Q CB -0.473 28.278 28.738 0.021 0.000 0.900 3197 Q HN 0.314 nan 8.270 nan 0.000 0.436 3198 A N 0.369 123.175 122.820 -0.024 0.000 1.877 3198 A HA -0.039 4.281 4.320 0.000 0.000 0.216 3198 A C 2.289 179.843 177.584 -0.050 0.000 1.186 3198 A CA 1.980 54.042 52.037 0.041 0.000 0.620 3198 A CB -1.224 17.871 19.000 0.158 0.000 0.822 3198 A HN 0.505 nan 8.150 nan 0.000 0.443 3199 A N -0.337 122.371 122.820 -0.186 0.000 1.930 3199 A HA 0.216 4.536 4.320 0.000 0.000 0.217 3199 A C 2.461 179.668 177.584 -0.628 0.000 1.175 3199 A CA 1.926 53.710 52.037 -0.421 0.000 0.627 3199 A CB -0.891 17.730 19.000 -0.631 0.000 0.815 3199 A HN 1.026 nan 8.150 nan 0.000 0.443 3200 A N -1.130 121.252 122.820 -0.730 0.000 1.930 3200 A HA -0.141 4.179 4.320 0.000 0.000 0.217 3200 A C 2.119 179.600 177.584 -0.172 0.000 1.175 3200 A CA 1.520 53.343 52.037 -0.357 0.000 0.627 3200 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 3200 A HN 0.478 nan 8.150 nan 0.000 0.443 3201 Q N -0.294 119.403 119.800 -0.172 0.000 2.079 3201 Q HA -0.172 4.168 4.340 0.000 0.000 0.200 3201 Q C 2.053 177.955 176.000 -0.163 0.000 0.974 3201 Q CA 1.868 57.597 55.803 -0.123 0.000 0.840 3201 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 3201 Q HN 0.613 nan 8.270 nan 0.000 0.430 3202 K N 0.979 121.211 120.400 -0.280 0.000 2.097 3202 K HA 0.011 4.331 4.320 0.000 0.000 0.205 3202 K C 1.832 178.306 176.600 -0.210 0.000 1.050 3202 K CA 1.204 57.277 56.287 -0.357 0.000 0.938 3202 K CB -0.447 31.578 32.500 -0.790 0.000 0.718 3202 K HN 0.122 nan 8.250 nan 0.000 0.442 3203 A N 0.619 123.346 122.820 -0.155 0.000 1.933 3203 A HA -0.211 4.109 4.320 0.000 0.000 0.218 3203 A C 2.078 179.647 177.584 -0.026 0.000 1.175 3203 A CA 1.694 53.707 52.037 -0.039 0.000 0.628 3203 A CB -0.516 18.524 19.000 0.068 0.000 0.814 3203 A HN 0.511 nan 8.150 nan 0.000 0.444 3204 Q N -0.632 119.145 119.800 -0.039 0.000 2.079 3204 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 3204 Q C 1.981 177.962 176.000 -0.031 0.000 0.974 3204 Q CA 1.606 57.393 55.803 -0.025 0.000 0.840 3204 Q CB -0.180 28.542 28.738 -0.026 0.000 0.898 3204 Q HN 0.774 nan 8.270 nan 0.000 0.430 3205 E N 0.523 120.691 120.200 -0.053 0.000 2.106 3205 E HA -0.156 4.194 4.350 0.000 0.000 0.192 3205 E C 2.045 178.623 176.600 -0.036 0.000 0.984 3205 E CA 0.737 57.108 56.400 -0.048 0.000 0.806 3205 E CB -0.026 29.633 29.700 -0.069 0.000 0.750 3205 E HN 0.307 nan 8.360 nan 0.000 0.458 3206 L N 0.567 121.765 121.223 -0.042 0.000 2.056 3206 L HA -0.191 4.149 4.340 0.000 0.000 0.207 3206 L C 2.435 179.304 176.870 -0.003 0.000 1.078 3206 L CA 0.891 55.719 54.840 -0.020 0.000 0.749 3206 L CB -0.326 41.721 42.059 -0.019 0.000 0.901 3206 L HN 0.169 nan 8.230 nan 0.000 0.433 3207 L N -0.443 120.779 121.223 -0.002 0.000 2.056 3207 L HA -0.206 4.134 4.340 0.000 0.000 0.207 3207 L C 2.598 179.470 176.870 0.003 0.000 1.078 3207 L CA 1.337 56.181 54.840 0.006 0.000 0.749 3207 L CB -0.430 41.633 42.059 0.007 0.000 0.901 3207 L HN 0.206 nan 8.230 nan 0.000 0.433 3208 K N -0.729 119.669 120.400 -0.003 0.000 2.148 3208 K HA -0.098 4.222 4.320 0.000 0.000 0.204 3208 K C 2.051 178.649 176.600 -0.002 0.000 1.050 3208 K CA 1.532 57.817 56.287 -0.003 0.000 0.942 3208 K CB -0.170 32.325 32.500 -0.007 0.000 0.724 3208 K HN 0.277 nan 8.250 nan 0.000 0.446 3209 T N 1.943 116.495 114.554 -0.003 0.000 2.777 3209 T HA -0.072 4.278 4.350 0.000 0.000 0.266 3209 T C 1.860 176.561 174.700 0.003 0.000 1.040 3209 T CA 1.263 63.362 62.100 -0.001 0.000 1.141 3209 T CB -0.127 68.739 68.868 -0.002 0.000 0.868 3209 T HN 0.385 nan 8.240 nan 0.000 0.444 3210 I N -0.324 120.250 120.570 0.008 0.000 3.578 3210 I HA 0.451 4.621 4.170 0.000 0.000 0.295 3210 I C 1.036 177.158 176.117 0.009 0.000 1.280 3210 I CA -0.554 60.753 61.300 0.011 0.000 1.347 3210 I CB -0.458 37.557 38.000 0.024 0.000 1.051 3210 I HN -0.055 nan 8.210 nan 0.000 0.460 3211 A N 1.578 124.402 122.820 0.007 0.000 2.548 3211 A HA 0.101 4.421 4.320 0.000 0.000 0.247 3211 A C 0.161 177.747 177.584 0.004 0.000 1.067 3211 A CA -0.015 52.025 52.037 0.006 0.000 0.757 3211 A CB -0.280 18.722 19.000 0.003 0.000 0.996 3211 A HN 0.642 nan 8.150 nan 0.000 0.504 3212 C N 3.612 122.914 119.300 0.004 0.000 2.265 3212 C HA 0.474 4.934 4.460 0.000 0.000 0.332 3212 C C 0.493 175.484 174.990 0.001 0.000 1.248 3212 C CA -0.585 58.434 59.018 0.002 0.000 1.727 3212 C CB -0.799 26.942 27.740 0.002 0.000 2.348 3212 C HN 0.930 nan 8.230 nan 0.000 0.519 3213 E N 3.841 124.040 120.200 -0.000 0.000 2.316 3213 E HA 0.498 4.848 4.350 0.000 0.000 0.275 3213 E C -0.295 176.305 176.600 -0.001 0.000 1.029 3213 E CA -0.201 56.199 56.400 -0.001 0.000 0.871 3213 E CB 0.861 30.560 29.700 -0.001 0.000 1.022 3213 E HN 0.727 nan 8.360 nan 0.000 0.418 3214 V N 0.973 120.887 119.914 -0.001 0.000 3.102 3214 V HA 0.733 4.853 4.120 0.000 0.000 0.312 3214 V C 0.361 176.454 176.094 -0.002 0.000 1.135 3214 V CA -0.784 61.515 62.300 -0.002 0.000 1.022 3214 V CB 1.533 33.354 31.823 -0.002 0.000 1.056 3214 V HN 0.714 nan 8.190 nan 0.000 0.436 3215 G N 0.520 109.318 108.800 -0.003 0.000 2.343 3215 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 3215 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 3215 G C 0.986 175.884 174.900 -0.003 0.000 1.277 3215 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 3215 G HN 1.658 nan 8.290 nan 0.000 0.502 3216 A N 2.472 125.290 122.820 -0.002 0.000 1.978 3216 A HA -0.099 4.221 4.320 0.000 0.000 0.220 3216 A C 2.068 179.651 177.584 -0.003 0.000 1.170 3216 A CA 1.969 54.005 52.037 -0.002 0.000 0.636 3216 A CB -0.091 18.907 19.000 -0.002 0.000 0.810 3216 A HN 0.764 nan 8.150 nan 0.000 0.448 3217 Q N -0.226 119.572 119.800 -0.002 0.000 2.175 3217 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 3217 Q C -0.413 175.586 176.000 -0.003 0.000 0.837 3217 Q CA 0.165 55.967 55.803 -0.002 0.000 1.032 3217 Q CB -0.677 28.059 28.738 -0.002 0.000 1.137 3217 Q HN 0.430 nan 8.270 nan 0.000 0.483 3218 D N 0.892 121.290 120.400 -0.003 0.000 2.346 3218 D HA 0.044 4.684 4.640 0.000 0.000 0.260 3218 D C 0.997 177.294 176.300 -0.004 0.000 1.252 3218 D CA -0.069 53.929 54.000 -0.003 0.000 0.895 3218 D CB 0.900 41.698 40.800 -0.004 0.000 1.097 3218 D HN 0.078 nan 8.370 nan 0.000 0.489 3219 K N 3.622 124.020 120.400 -0.004 0.000 2.052 3219 K HA -0.304 4.016 4.320 0.000 0.000 0.215 3219 K C 1.553 178.149 176.600 -0.006 0.000 1.053 3219 K CA 2.194 58.478 56.287 -0.005 0.000 0.934 3219 K CB -0.209 32.289 32.500 -0.004 0.000 0.717 3219 K HN 0.676 nan 8.250 nan 0.000 0.450 3220 E N -0.533 119.663 120.200 -0.007 0.000 2.021 3220 E HA -0.227 4.123 4.350 0.000 0.000 0.200 3220 E C 2.010 178.605 176.600 -0.009 0.000 1.015 3220 E CA 1.768 58.163 56.400 -0.008 0.000 0.824 3220 E CB -0.299 29.397 29.700 -0.008 0.000 0.762 3220 E HN 0.345 nan 8.360 nan 0.000 0.454 3221 I N 0.551 121.117 120.570 -0.007 0.000 2.614 3221 I HA -0.189 3.981 4.170 0.000 0.000 0.258 3221 I C 1.946 178.059 176.117 -0.006 0.000 1.189 3221 I CA 0.624 61.919 61.300 -0.007 0.000 1.462 3221 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 3221 I HN 0.213 nan 8.210 nan 0.000 0.442 3222 L N 0.033 121.252 121.223 -0.006 0.000 2.093 3222 L HA -0.171 4.169 4.340 0.000 0.000 0.208 3222 L C 2.654 179.520 176.870 -0.007 0.000 1.085 3222 L CA 2.372 57.208 54.840 -0.006 0.000 0.755 3222 L CB -1.409 40.647 42.059 -0.005 0.000 0.904 3222 L HN 0.476 nan 8.230 nan 0.000 0.435 3223 T N -4.828 109.721 114.554 -0.009 0.000 3.014 3223 T HA -0.081 4.269 4.350 0.000 0.000 0.263 3223 T C 1.910 176.602 174.700 -0.014 0.000 1.078 3223 T CA 0.527 62.620 62.100 -0.011 0.000 1.135 3223 T CB -0.102 68.759 68.868 -0.012 0.000 0.895 3223 T HN 0.189 nan 8.240 nan 0.000 0.480 3224 K N 0.520 120.912 120.400 -0.014 0.000 2.062 3224 K HA 0.117 4.437 4.320 0.000 0.000 0.205 3224 K C 2.137 178.730 176.600 -0.012 0.000 1.051 3224 K CA 0.826 57.104 56.287 -0.016 0.000 0.941 3224 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 3224 K HN 0.236 nan 8.250 nan 0.000 0.440 3225 I N 1.336 121.902 120.570 -0.007 0.000 2.202 3225 I HA -0.202 3.968 4.170 0.000 0.000 0.242 3225 I C 2.501 178.617 176.117 -0.002 0.000 1.091 3225 I CA 1.192 62.490 61.300 -0.003 0.000 1.368 3225 I CB -1.358 36.641 38.000 -0.002 0.000 1.058 3225 I HN 0.092 nan 8.210 nan 0.000 0.410 3226 A N 0.724 123.541 122.820 -0.004 0.000 1.865 3226 A HA -0.247 4.073 4.320 0.000 0.000 0.217 3226 A C 2.412 179.994 177.584 -0.004 0.000 1.191 3226 A CA 1.989 54.024 52.037 -0.004 0.000 0.623 3226 A CB -0.622 18.374 19.000 -0.006 0.000 0.826 3226 A HN 0.353 nan 8.150 nan 0.000 0.444 3227 M N -0.323 119.271 119.600 -0.010 0.000 2.099 3227 M HA -0.132 4.348 4.480 0.000 0.000 0.262 3227 M C 2.438 178.732 176.300 -0.011 0.000 1.067 3227 M CA 2.032 57.322 55.300 -0.016 0.000 1.124 3227 M CB -0.682 31.899 32.600 -0.032 0.000 1.353 3227 M HN 0.718 nan 8.290 nan 0.000 0.410 3228 T N -2.755 111.795 114.554 -0.008 0.000 2.867 3228 T HA -0.099 4.251 4.350 0.000 0.000 0.268 3228 T C 1.889 176.606 174.700 0.030 0.000 1.057 3228 T CA 1.643 63.749 62.100 0.009 0.000 1.136 3228 T CB -0.463 68.411 68.868 0.010 0.000 0.874 3228 T HN 0.286 nan 8.240 nan 0.000 0.466 3229 S N 0.976 116.688 115.700 0.019 0.000 2.355 3229 S HA 0.042 4.512 4.470 0.000 0.000 0.222 3229 S C 1.991 176.607 174.600 0.027 0.000 1.031 3229 S CA 0.865 59.078 58.200 0.022 0.000 0.993 3229 S CB -0.604 62.604 63.200 0.012 0.000 0.859 3229 S HN 0.589 nan 8.310 nan 0.000 0.453 3230 I N 1.717 122.300 120.570 0.022 0.000 2.361 3230 I HA -0.108 4.062 4.170 0.000 0.000 0.251 3230 I C 1.219 177.363 176.117 0.045 0.000 1.133 3230 I CA 0.873 62.188 61.300 0.025 0.000 1.413 3230 I CB -0.908 37.101 38.000 0.015 0.000 1.073 3230 I HN 0.427 nan 8.210 nan 0.000 0.424 3231 T N -0.543 114.050 114.554 0.064 0.000 2.932 3231 T HA 0.315 4.665 4.350 0.000 0.000 0.312 3231 T C 1.168 175.947 174.700 0.130 0.000 1.071 3231 T CA 0.099 62.276 62.100 0.127 0.000 1.128 3231 T CB 1.273 70.259 68.868 0.196 0.000 0.984 3231 T HN 0.604 nan 8.240 nan 0.000 0.549 3232 G N 1.323 110.209 108.800 0.143 0.000 2.176 3232 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 3232 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 3232 G C -0.039 174.886 174.900 0.043 0.000 0.979 3232 G CA 0.351 45.493 45.100 0.070 0.000 0.641 3232 G HN 0.912 nan 8.290 nan 0.000 0.530 3233 K N -0.459 119.971 120.400 0.051 0.000 2.185 3233 K HA 0.681 5.001 4.320 0.000 0.000 0.240 3233 K C 1.585 178.208 176.600 0.037 0.000 0.983 3233 K CA 0.125 56.433 56.287 0.036 0.000 0.873 3233 K CB 0.841 33.360 32.500 0.032 0.000 1.118 3233 K HN 0.195 nan 8.250 nan 0.000 0.441 3234 G N 0.200 109.017 108.800 0.029 0.000 2.432 3234 G HA2 -0.226 3.735 3.960 0.000 0.000 0.219 3234 G HA3 -0.226 3.735 3.960 0.000 0.000 0.219 3234 G C 1.178 176.096 174.900 0.029 0.000 1.135 3234 G CA 1.023 46.140 45.100 0.028 0.000 0.767 3234 G HN 0.577 nan 8.290 nan 0.000 0.550 3235 A N 0.503 123.339 122.820 0.027 0.000 2.172 3235 A HA 0.082 4.402 4.320 0.000 0.000 0.216 3235 A C 1.988 179.586 177.584 0.024 0.000 1.154 3235 A CA 1.652 53.702 52.037 0.023 0.000 0.701 3235 A CB -0.337 18.674 19.000 0.019 0.000 0.789 3235 A HN 0.507 nan 8.150 nan 0.000 0.465 3236 E N 1.190 121.410 120.200 0.034 0.000 2.171 3236 E HA -0.297 4.053 4.350 0.000 0.000 0.197 3236 E C 1.880 178.496 176.600 0.026 0.000 0.997 3236 E CA 1.668 58.090 56.400 0.037 0.000 0.810 3236 E CB -0.202 29.540 29.700 0.069 0.000 0.738 3236 E HN 0.802 nan 8.360 nan 0.000 0.467 3237 K N -0.457 119.960 120.400 0.028 0.000 2.218 3237 K HA -0.122 4.198 4.320 0.000 0.000 0.205 3237 K C 1.241 177.848 176.600 0.012 0.000 1.046 3237 K CA 1.493 57.792 56.287 0.021 0.000 0.933 3237 K CB -0.018 32.495 32.500 0.022 0.000 0.728 3237 K HN 0.104 nan 8.250 nan 0.000 0.454 3238 A N 1.803 124.629 122.820 0.011 0.000 2.606 3238 A HA 0.136 4.456 4.320 0.000 0.000 0.290 3238 A C 1.369 178.954 177.584 0.002 0.000 1.174 3238 A CA -0.542 51.498 52.037 0.006 0.000 0.958 3238 A CB -0.016 18.989 19.000 0.008 0.000 1.194 3238 A HN 0.423 nan 8.150 nan 0.000 0.526 3239 K N 0.154 120.555 120.400 0.000 0.000 2.281 3239 K HA -0.188 4.132 4.320 0.000 0.000 0.203 3239 K C 0.864 177.458 176.600 -0.010 0.000 1.046 3239 K CA 1.870 58.155 56.287 -0.004 0.000 0.938 3239 K CB -0.096 32.398 32.500 -0.009 0.000 0.737 3239 K HN 0.317 nan 8.250 nan 0.000 0.458 3240 E N 1.501 121.695 120.200 -0.011 0.000 2.047 3240 E HA -0.138 4.212 4.350 0.000 0.000 0.191 3240 E C 1.916 178.511 176.600 -0.008 0.000 0.987 3240 E CA 1.306 57.698 56.400 -0.013 0.000 0.799 3240 E CB -0.050 29.642 29.700 -0.013 0.000 0.752 3240 E HN 0.267 nan 8.360 nan 0.000 0.449 3241 K N 0.211 120.608 120.400 -0.005 0.000 2.097 3241 K HA -0.067 4.253 4.320 0.000 0.000 0.205 3241 K C 1.657 178.255 176.600 -0.003 0.000 1.050 3241 K CA 0.721 57.007 56.287 -0.003 0.000 0.938 3241 K CB -0.201 32.299 32.500 0.000 0.000 0.718 3241 K HN -0.008 nan 8.250 nan 0.000 0.442 3242 L N 0.520 121.741 121.223 -0.003 0.000 2.056 3242 L HA 0.014 4.354 4.340 0.000 0.000 0.207 3242 L C 2.284 179.151 176.870 -0.005 0.000 1.078 3242 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 3242 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 3242 L HN 0.270 nan 8.230 nan 0.000 0.433 3243 A N -0.972 121.844 122.820 -0.006 0.000 1.933 3243 A HA -0.258 4.062 4.320 0.000 0.000 0.218 3243 A C 2.355 179.934 177.584 -0.008 0.000 1.175 3243 A CA 1.800 53.832 52.037 -0.008 0.000 0.628 3243 A CB -0.543 18.450 19.000 -0.011 0.000 0.814 3243 A HN 0.501 nan 8.150 nan 0.000 0.444 3244 E N -0.227 119.969 120.200 -0.008 0.000 2.077 3244 E HA -0.160 4.190 4.350 0.000 0.000 0.193 3244 E C 1.875 178.470 176.600 -0.007 0.000 0.989 3244 E CA 1.227 57.623 56.400 -0.007 0.000 0.800 3244 E CB -0.215 29.482 29.700 -0.006 0.000 0.746 3244 E HN 0.663 nan 8.360 nan 0.000 0.452 3245 I N 0.344 120.909 120.570 -0.007 0.000 2.226 3245 I HA -0.266 3.905 4.170 0.000 0.000 0.245 3245 I C 2.117 178.227 176.117 -0.011 0.000 1.100 3245 I CA 0.739 62.033 61.300 -0.009 0.000 1.374 3245 I CB -0.073 37.921 38.000 -0.009 0.000 1.057 3245 I HN 0.200 nan 8.210 nan 0.000 0.413 3246 I N -0.449 120.115 120.570 -0.009 0.000 2.406 3246 I HA -0.161 4.009 4.170 0.000 0.000 0.249 3246 I C 2.295 178.407 176.117 -0.009 0.000 1.122 3246 I CA 1.074 62.368 61.300 -0.009 0.000 1.431 3246 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 3246 I HN -0.072 nan 8.210 nan 0.000 0.424 3247 V N 0.231 120.140 119.914 -0.008 0.000 2.358 3247 V HA -0.245 3.875 4.120 0.000 0.000 0.246 3247 V C 2.501 178.591 176.094 -0.007 0.000 1.047 3247 V CA 1.864 64.160 62.300 -0.007 0.000 1.035 3247 V CB -0.523 31.296 31.823 -0.006 0.000 0.658 3247 V HN 0.401 nan 8.190 nan 0.000 0.452 3248 E N 0.824 121.020 120.200 -0.007 0.000 2.072 3248 E HA -0.143 4.207 4.350 0.000 0.000 0.191 3248 E C 2.133 178.727 176.600 -0.009 0.000 0.985 3248 E CA 1.596 57.992 56.400 -0.007 0.000 0.801 3248 E CB -0.461 29.234 29.700 -0.008 0.000 0.750 3248 E HN 0.489 nan 8.360 nan 0.000 0.452 3249 A N 0.077 122.890 122.820 -0.012 0.000 1.877 3249 A HA -0.144 4.176 4.320 0.000 0.000 0.216 3249 A C 2.510 180.087 177.584 -0.013 0.000 1.186 3249 A CA 1.743 53.771 52.037 -0.016 0.000 0.620 3249 A CB -0.847 18.142 19.000 -0.019 0.000 0.822 3249 A HN 0.205 nan 8.150 nan 0.000 0.443 3250 V N -0.514 119.394 119.914 -0.010 0.000 2.307 3250 V HA -0.197 3.923 4.120 0.000 0.000 0.245 3250 V C 2.816 178.907 176.094 -0.006 0.000 1.045 3250 V CA 2.273 64.568 62.300 -0.008 0.000 1.024 3250 V CB -0.715 31.104 31.823 -0.007 0.000 0.651 3250 V HN 0.667 nan 8.190 nan 0.000 0.449 3251 S N -0.092 115.605 115.700 -0.004 0.000 2.370 3251 S HA -0.208 4.262 4.470 0.000 0.000 0.226 3251 S C 2.119 176.720 174.600 0.002 0.000 1.033 3251 S CA 1.706 59.906 58.200 -0.001 0.000 1.011 3251 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 3251 S HN 0.616 nan 8.310 nan 0.000 0.457 3252 A N 0.715 123.536 122.820 0.000 0.000 1.933 3252 A HA -0.006 4.314 4.320 0.000 0.000 0.218 3252 A C 2.320 179.907 177.584 0.005 0.000 1.175 3252 A CA 1.862 53.901 52.037 0.004 0.000 0.628 3252 A CB -0.788 18.210 19.000 -0.003 0.000 0.814 3252 A HN 0.987 nan 8.150 nan 0.000 0.444 3253 V N -3.841 116.072 119.914 -0.002 0.000 3.307 3253 V HA 0.090 4.210 4.120 0.000 0.000 0.253 3253 V C 1.996 178.088 176.094 -0.003 0.000 1.149 3253 V CA 1.160 63.458 62.300 -0.004 0.000 1.112 3253 V CB -0.248 31.568 31.823 -0.011 0.000 0.777 3253 V HN 0.171 nan 8.190 nan 0.000 0.464 3254 V N 0.500 120.413 119.914 -0.003 0.000 2.453 3254 V HA -0.032 4.088 4.120 0.000 0.000 0.247 3254 V C 1.626 177.719 176.094 -0.002 0.000 1.048 3254 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 3254 V CB -0.276 31.545 31.823 -0.003 0.000 0.672 3254 V HN 0.810 nan 8.190 nan 0.000 0.457 3255 D N -0.617 119.784 120.400 0.001 0.000 4.438 3255 D HA -0.218 4.422 4.640 0.000 0.000 0.158 3255 D C 0.600 176.898 176.300 -0.004 0.000 0.686 3255 D CA 1.945 55.945 54.000 0.000 0.000 1.183 3255 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 3255 D HN 0.574 nan 8.370 nan 0.000 0.521 3256 D N 1.462 121.858 120.400 -0.007 0.000 2.384 3256 D HA 0.262 4.902 4.640 0.000 0.000 0.244 3256 D C -0.302 175.994 176.300 -0.006 0.000 1.251 3256 D CA 0.307 54.303 54.000 -0.008 0.000 0.961 3256 D CB 0.421 41.215 40.800 -0.010 0.000 1.116 3256 D HN 0.218 nan 8.370 nan 0.000 0.484 3257 E N -0.135 120.061 120.200 -0.006 0.000 2.267 3257 E HA 0.565 4.915 4.350 0.000 0.000 0.241 3257 E C -0.262 176.335 176.600 -0.005 0.000 0.950 3257 E CA -0.657 55.740 56.400 -0.005 0.000 0.776 3257 E CB 0.780 30.477 29.700 -0.004 0.000 1.207 3257 E HN 0.497 nan 8.360 nan 0.000 0.436 3258 G N 1.738 110.535 108.800 -0.005 0.000 2.347 3258 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 3258 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 3258 G C -1.781 173.117 174.900 -0.004 0.000 1.481 3258 G CA -0.815 44.282 45.100 -0.005 0.000 0.914 3258 G HN 0.063 nan 8.290 nan 0.000 0.638 3259 K N 0.315 120.712 120.400 -0.005 0.000 2.550 3259 K HA 0.543 4.863 4.320 0.000 0.000 0.252 3259 K C -1.343 175.254 176.600 -0.005 0.000 0.943 3259 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 3259 K CB 2.197 34.694 32.500 -0.005 0.000 1.289 3259 K HN 0.600 nan 8.250 nan 0.000 0.435 3260 V N 3.323 123.234 119.914 -0.005 0.000 2.370 3260 V HA 0.261 4.381 4.120 0.000 0.000 0.279 3260 V C -0.310 175.780 176.094 -0.006 0.000 1.029 3260 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 3260 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 3260 V HN 0.624 nan 8.190 nan 0.000 0.451 3261 D N 3.811 124.206 120.400 -0.007 0.000 2.453 3261 D HA 0.305 4.945 4.640 0.000 0.000 0.238 3261 D C 0.864 177.158 176.300 -0.010 0.000 1.088 3261 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 3261 D CB 1.597 42.392 40.800 -0.009 0.000 1.076 3261 D HN 0.423 nan 8.370 nan 0.000 0.533 3262 K N 1.965 122.359 120.400 -0.010 0.000 2.360 3262 K HA -0.150 4.170 4.320 0.000 0.000 0.201 3262 K C 0.906 177.497 176.600 -0.014 0.000 1.046 3262 K CA 0.809 57.089 56.287 -0.011 0.000 0.945 3262 K CB 0.242 32.736 32.500 -0.009 0.000 0.750 3262 K HN 0.344 nan 8.250 nan 0.000 0.464 3263 D N 0.783 121.175 120.400 -0.014 0.000 2.310 3263 D HA -0.081 4.559 4.640 0.000 0.000 0.212 3263 D C 1.258 177.545 176.300 -0.022 0.000 0.965 3263 D CA 0.641 54.631 54.000 -0.017 0.000 0.879 3263 D CB 0.138 40.928 40.800 -0.015 0.000 0.921 3263 D HN 0.118 nan 8.370 nan 0.000 0.510 3264 L N -0.153 121.058 121.223 -0.021 0.000 2.554 3264 L HA 0.158 4.498 4.340 0.000 0.000 0.226 3264 L C 0.346 177.199 176.870 -0.029 0.000 1.137 3264 L CA 0.203 55.028 54.840 -0.024 0.000 0.863 3264 L CB 0.077 42.125 42.059 -0.019 0.000 0.985 3264 L HN 0.022 nan 8.230 nan 0.000 0.451 3265 I N 0.650 121.204 120.570 -0.028 0.000 2.390 3265 I HA 0.172 4.342 4.170 0.000 0.000 0.283 3265 I C 0.107 176.203 176.117 -0.035 0.000 1.016 3265 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 3265 I CB 1.419 39.403 38.000 -0.025 0.000 1.293 3265 I HN -0.033 nan 8.210 nan 0.000 0.458 3266 K N 6.815 127.187 120.400 -0.046 0.000 2.276 3266 K HA 0.400 4.720 4.320 0.000 0.000 0.283 3266 K C -0.647 175.924 176.600 -0.049 0.000 1.044 3266 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 3266 K CB 0.876 33.338 32.500 -0.064 0.000 1.012 3266 K HN 0.456 nan 8.250 nan 0.000 0.472 3267 I N 4.324 124.870 120.570 -0.039 0.000 2.307 3267 I HA 0.155 4.325 4.170 0.000 0.000 0.287 3267 I C -0.139 175.958 176.117 -0.033 0.000 1.054 3267 I CA -0.551 60.729 61.300 -0.033 0.000 1.218 3267 I CB 0.685 38.671 38.000 -0.024 0.000 1.398 3267 I HN 0.674 nan 8.210 nan 0.000 0.475 3268 E N 7.302 127.478 120.200 -0.040 0.000 2.216 3268 E HA 0.473 4.823 4.350 0.000 0.000 0.279 3268 E C -0.733 175.857 176.600 -0.016 0.000 0.997 3268 E CA -0.589 55.793 56.400 -0.030 0.000 0.817 3268 E CB 1.045 30.718 29.700 -0.046 0.000 1.096 3268 E HN 0.542 nan 8.360 nan 0.000 0.393 3269 K N 2.884 123.280 120.400 -0.007 0.000 2.541 3269 K HA 0.562 4.882 4.320 0.000 0.000 0.250 3269 K C -1.029 175.574 176.600 0.005 0.000 0.950 3269 K CA -1.086 55.199 56.287 -0.002 0.000 0.805 3269 K CB 1.510 34.004 32.500 -0.010 0.000 1.166 3269 K HN 0.092 nan 8.250 nan 0.000 0.430 3270 K N 2.042 122.451 120.400 0.015 0.000 2.578 3270 K HA 0.197 4.517 4.320 0.000 0.000 0.250 3270 K C -0.895 175.717 176.600 0.019 0.000 0.955 3270 K CA -0.652 55.648 56.287 0.022 0.000 0.825 3270 K CB 2.045 34.570 32.500 0.042 0.000 1.151 3270 K HN 0.776 nan 8.250 nan 0.000 0.432 3271 S N 1.278 116.985 115.700 0.012 0.000 2.568 3271 S HA 0.504 4.974 4.470 0.000 0.000 0.282 3271 S C 0.357 174.968 174.600 0.019 0.000 1.338 3271 S CA 1.268 59.476 58.200 0.014 0.000 1.045 3271 S CB 0.153 63.360 63.200 0.011 0.000 0.873 3271 S HN 0.873 nan 8.310 nan 0.000 0.516 3272 G N 1.672 110.484 108.800 0.020 0.000 2.465 3272 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 3272 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 3272 G C -0.085 174.828 174.900 0.021 0.000 1.340 3272 G CA -0.050 45.062 45.100 0.020 0.000 0.884 3272 G HN 2.157 nan 8.290 nan 0.000 0.650 3273 A N -0.571 122.260 122.820 0.019 0.000 6.088 3273 A HA 0.393 4.713 4.320 0.000 0.000 0.261 3273 A C 1.120 178.715 177.584 0.018 0.000 2.138 3273 A CA 1.933 53.980 52.037 0.018 0.000 0.708 3273 A CB -1.621 17.392 19.000 0.022 0.000 1.068 3273 A HN 2.723 nan 8.150 nan 0.000 0.364 3274 S N -2.789 112.922 115.700 0.018 0.000 2.811 3274 S HA 0.703 5.173 4.470 0.000 0.000 0.311 3274 S C 1.121 175.732 174.600 0.018 0.000 1.152 3274 S CA 0.148 58.358 58.200 0.017 0.000 0.864 3274 S CB 1.307 64.516 63.200 0.015 0.000 1.226 3274 S HN 1.564 nan 8.310 nan 0.000 0.541 3275 I N 1.304 121.884 120.570 0.016 0.000 2.614 3275 I HA -0.093 4.077 4.170 0.000 0.000 0.258 3275 I C 0.875 177.000 176.117 0.014 0.000 1.189 3275 I CA 1.274 62.583 61.300 0.015 0.000 1.462 3275 I CB -0.086 37.923 38.000 0.015 0.000 1.092 3275 I HN 0.584 nan 8.210 nan 0.000 0.442 3276 D N 1.026 121.434 120.400 0.013 0.000 2.178 3276 D HA -0.181 4.459 4.640 0.000 0.000 0.201 3276 D C 1.437 177.745 176.300 0.014 0.000 0.980 3276 D CA 1.304 55.311 54.000 0.012 0.000 0.842 3276 D CB -0.248 40.559 40.800 0.011 0.000 0.948 3276 D HN 0.480 nan 8.370 nan 0.000 0.472 3277 D N -0.523 119.888 120.400 0.017 0.000 2.347 3277 D HA -0.022 4.618 4.640 0.000 0.000 0.215 3277 D C 0.265 176.580 176.300 0.025 0.000 0.976 3277 D CA 0.453 54.467 54.000 0.022 0.000 0.884 3277 D CB -0.003 40.812 40.800 0.025 0.000 0.915 3277 D HN -0.026 nan 8.370 nan 0.000 0.526 3278 T N 1.097 115.662 114.554 0.019 0.000 2.933 3278 T HA 0.170 4.520 4.350 0.000 0.000 0.306 3278 T C 0.122 174.829 174.700 0.012 0.000 1.045 3278 T CA 0.524 62.633 62.100 0.015 0.000 1.143 3278 T CB 0.654 69.528 68.868 0.010 0.000 1.003 3278 T HN 0.038 nan 8.240 nan 0.000 0.540 3279 E N 1.793 121.999 120.200 0.009 0.000 2.390 3279 E HA 0.521 4.871 4.350 0.000 0.000 0.280 3279 E C -1.949 174.643 176.600 -0.013 0.000 0.992 3279 E CA -0.800 55.602 56.400 0.004 0.000 0.790 3279 E CB 1.039 30.750 29.700 0.019 0.000 1.248 3279 E HN 0.349 nan 8.360 nan 0.000 0.447 3280 L N 3.622 124.834 121.223 -0.017 0.000 2.292 3280 L HA 0.600 4.940 4.340 0.000 0.000 0.284 3280 L C -1.141 175.705 176.870 -0.040 0.000 1.065 3280 L CA -0.218 54.602 54.840 -0.033 0.000 0.806 3280 L CB 0.834 42.877 42.059 -0.026 0.000 1.175 3280 L HN 0.577 nan 8.230 nan 0.000 0.431 3281 I N 5.553 126.080 120.570 -0.071 0.000 2.382 3281 I HA 0.304 4.474 4.170 0.000 0.000 0.285 3281 I C -0.135 175.935 176.117 -0.078 0.000 1.007 3281 I CA -0.492 60.758 61.300 -0.083 0.000 1.142 3281 I CB 1.186 39.085 38.000 -0.168 0.000 1.289 3281 I HN 0.315 nan 8.210 nan 0.000 0.453 3282 K N 5.804 126.174 120.400 -0.049 0.000 2.081 3282 K HA 0.516 4.836 4.320 0.000 0.000 0.230 3282 K C 0.458 177.030 176.600 -0.048 0.000 1.199 3282 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 3282 K CB -0.209 32.272 32.500 -0.032 0.000 1.386 3282 K HN 0.968 nan 8.250 nan 0.000 0.280 3283 G N -0.694 108.065 108.800 -0.068 0.000 2.455 3283 G HA2 0.122 4.082 3.960 0.000 0.000 0.223 3283 G HA3 0.122 4.082 3.960 0.000 0.000 0.223 3283 G C -1.637 173.197 174.900 -0.110 0.000 1.226 3283 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 3283 G HN 0.086 nan 8.290 nan 0.000 0.478 3284 V N 0.446 120.285 119.914 -0.125 0.000 2.588 3284 V HA 0.636 4.756 4.120 0.000 0.000 0.304 3284 V C -0.806 175.174 176.094 -0.189 0.000 1.042 3284 V CA -0.626 61.581 62.300 -0.154 0.000 0.877 3284 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 3284 V HN 0.608 nan 8.190 nan 0.000 0.425 3285 L N 5.212 126.290 121.223 -0.242 0.000 2.255 3285 L HA 0.490 4.830 4.340 0.000 0.000 0.289 3285 L C -0.090 176.734 176.870 -0.077 0.000 1.046 3285 L CA 0.166 54.840 54.840 -0.277 0.000 0.816 3285 L CB 1.472 43.243 42.059 -0.480 0.000 1.197 3285 L HN 0.438 nan 8.230 nan 0.000 0.427 3286 V N 2.684 122.621 119.914 0.038 0.000 2.394 3286 V HA 0.237 4.357 4.120 0.000 0.000 0.282 3286 V C 0.119 176.293 176.094 0.133 0.000 1.031 3286 V CA -0.784 61.556 62.300 0.066 0.000 0.881 3286 V CB 1.570 33.449 31.823 0.095 0.000 0.982 3286 V HN 0.781 nan 8.190 nan 0.000 0.451 3287 D N 3.772 124.227 120.400 0.091 0.000 3.085 3287 D HA 0.176 4.816 4.640 0.000 0.000 0.243 3287 D C 0.117 176.471 176.300 0.090 0.000 1.232 3287 D CA -0.256 53.799 54.000 0.092 0.000 0.913 3287 D CB 0.137 40.973 40.800 0.060 0.000 1.108 3287 D HN 0.268 nan 8.370 nan 0.000 0.468 3288 K N 0.458 120.928 120.400 0.117 0.000 2.409 3288 K HA 0.421 4.741 4.320 0.000 0.000 0.252 3288 K C 0.352 177.008 176.600 0.093 0.000 1.036 3288 K CA -0.651 55.700 56.287 0.107 0.000 0.871 3288 K CB 2.264 34.851 32.500 0.146 0.000 1.374 3288 K HN 0.308 nan 8.250 nan 0.000 0.459 3289 E N 0.733 120.970 120.200 0.062 0.000 2.378 3289 E HA 0.394 4.744 4.350 0.000 0.000 0.265 3289 E C -0.684 175.925 176.600 0.014 0.000 0.932 3289 E CA -0.906 55.515 56.400 0.035 0.000 0.795 3289 E CB 1.245 30.957 29.700 0.021 0.000 1.296 3289 E HN 0.218 nan 8.360 nan 0.000 0.438 3290 R N 1.245 121.744 120.500 -0.002 0.000 2.296 3290 R HA 0.107 4.447 4.340 0.000 0.000 0.323 3290 R C 1.363 177.654 176.300 -0.015 0.000 1.067 3290 R CA 0.224 56.311 56.100 -0.022 0.000 0.946 3290 R CB 0.460 30.746 30.300 -0.023 0.000 0.991 3290 R HN 0.559 nan 8.270 nan 0.000 0.448 3291 V N -0.042 119.859 119.914 -0.022 0.000 2.720 3291 V HA -0.075 4.045 4.120 0.000 0.000 0.256 3291 V C 0.905 177.000 176.094 0.002 0.000 1.082 3291 V CA 1.081 63.374 62.300 -0.011 0.000 1.101 3291 V CB -0.224 31.587 31.823 -0.019 0.000 0.693 3291 V HN 0.524 nan 8.190 nan 0.000 0.479 3292 S N -1.005 114.696 115.700 0.001 0.000 2.526 3292 S HA 0.774 5.244 4.470 0.000 0.000 0.293 3292 S C 0.844 175.444 174.600 -0.000 0.000 1.092 3292 S CA -0.121 58.087 58.200 0.013 0.000 0.980 3292 S CB 1.874 65.089 63.200 0.026 0.000 1.048 3292 S HN 0.711 nan 8.310 nan 0.000 0.483 3293 A N 3.262 126.081 122.820 -0.001 0.000 2.070 3293 A HA -0.042 4.278 4.320 0.000 0.000 0.220 3293 A C 1.776 179.353 177.584 -0.013 0.000 1.159 3293 A CA 1.258 53.290 52.037 -0.009 0.000 0.656 3293 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 3293 A HN 0.899 nan 8.150 nan 0.000 0.453 3294 Q N -1.030 118.763 119.800 -0.012 0.000 2.424 3294 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 3294 Q C 0.212 176.206 176.000 -0.010 0.000 0.933 3294 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 3294 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 3294 Q HN 0.657 nan 8.270 nan 0.000 0.511 3295 M N 1.514 121.108 119.600 -0.010 0.000 2.250 3295 M HA 0.223 4.703 4.480 0.000 0.000 0.344 3295 M C -2.138 174.153 176.300 -0.014 0.000 1.150 3295 M CA -2.024 53.269 55.300 -0.013 0.000 1.147 3295 M CB 0.390 32.978 32.600 -0.020 0.000 1.498 3295 M HN -0.192 nan 8.290 nan 0.000 0.461 3296 P HA -0.020 nan 4.420 nan 0.000 0.269 3296 P C -0.157 177.135 177.300 -0.014 0.000 1.211 3296 P CA 0.054 63.147 63.100 -0.012 0.000 0.781 3296 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 3297 K N 1.033 121.425 120.400 -0.013 0.000 2.379 3297 K HA 0.056 4.376 4.320 0.000 0.000 0.194 3297 K C 0.486 177.079 176.600 -0.012 0.000 1.031 3297 K CA 0.809 57.087 56.287 -0.016 0.000 1.037 3297 K CB 0.142 32.630 32.500 -0.019 0.000 0.824 3297 K HN 0.577 nan 8.250 nan 0.000 0.516 3298 K N -0.780 119.617 120.400 -0.005 0.000 2.557 3298 K HA 0.381 4.701 4.320 0.000 0.000 0.257 3298 K C -1.260 175.345 176.600 0.008 0.000 0.933 3298 K CA -0.733 55.557 56.287 0.005 0.000 0.820 3298 K CB 1.984 34.486 32.500 0.002 0.000 1.330 3298 K HN -0.285 nan 8.250 nan 0.000 0.432 3299 V N 2.045 121.970 119.914 0.019 0.000 2.483 3299 V HA 0.429 4.549 4.120 0.000 0.000 0.297 3299 V C -0.283 175.828 176.094 0.027 0.000 1.027 3299 V CA -0.527 61.784 62.300 0.019 0.000 0.855 3299 V CB 1.837 33.670 31.823 0.017 0.000 0.995 3299 V HN 0.998 nan 8.190 nan 0.000 0.424 3300 T N 0.078 114.645 114.554 0.021 0.000 2.929 3300 T HA 0.541 4.891 4.350 0.000 0.000 0.284 3300 T C 0.124 174.837 174.700 0.021 0.000 1.014 3300 T CA -0.276 61.837 62.100 0.022 0.000 1.051 3300 T CB 1.296 70.174 68.868 0.016 0.000 1.028 3300 T HN 0.769 nan 8.240 nan 0.000 0.485 3301 D N 0.340 120.753 120.400 0.022 0.000 2.689 3301 D HA -0.153 4.487 4.640 0.000 0.000 0.237 3301 D C 0.301 176.617 176.300 0.026 0.000 1.148 3301 D CA 0.840 54.852 54.000 0.020 0.000 0.656 3301 D CB -1.252 39.557 40.800 0.015 0.000 1.050 3301 D HN 1.103 nan 8.370 nan 0.000 0.426 3302 A N 1.410 124.251 122.820 0.035 0.000 2.477 3302 A HA 0.375 4.696 4.320 0.000 0.000 0.246 3302 A C 0.542 178.154 177.584 0.046 0.000 1.078 3302 A CA 0.147 52.210 52.037 0.044 0.000 0.770 3302 A CB 0.593 19.632 19.000 0.064 0.000 1.011 3302 A HN 0.156 nan 8.150 nan 0.000 0.494 3303 K N 3.185 123.611 120.400 0.043 0.000 2.347 3303 K HA 0.399 4.719 4.320 0.000 0.000 0.262 3303 K C -0.938 175.697 176.600 0.058 0.000 1.052 3303 K CA 0.157 56.471 56.287 0.044 0.000 0.946 3303 K CB 0.925 33.444 32.500 0.031 0.000 1.220 3303 K HN 0.638 nan 8.250 nan 0.000 0.450 3304 I N 2.033 122.653 120.570 0.083 0.000 2.353 3304 I HA 0.286 4.456 4.170 0.000 0.000 0.293 3304 I C 0.275 176.460 176.117 0.114 0.000 0.992 3304 I CA -0.655 60.724 61.300 0.133 0.000 1.268 3304 I CB 1.586 39.706 38.000 0.199 0.000 1.387 3304 I HN 0.433 nan 8.210 nan 0.000 0.478 3305 A N 7.675 130.566 122.820 0.119 0.000 2.337 3305 A HA 0.840 5.160 4.320 0.000 0.000 0.329 3305 A C -0.778 176.892 177.584 0.143 0.000 1.146 3305 A CA -0.545 51.550 52.037 0.097 0.000 0.800 3305 A CB 0.933 19.968 19.000 0.057 0.000 1.220 3305 A HN 0.703 nan 8.150 nan 0.000 0.472 3306 L N 3.154 124.441 121.223 0.107 0.000 2.345 3306 L HA 0.419 4.759 4.340 0.000 0.000 0.274 3306 L C -0.980 175.933 176.870 0.072 0.000 0.999 3306 L CA -0.090 54.815 54.840 0.108 0.000 0.849 3306 L CB 1.027 43.131 42.059 0.075 0.000 1.220 3306 L HN 0.564 nan 8.230 nan 0.000 0.422 3307 L N 3.352 124.620 121.223 0.075 0.000 2.307 3307 L HA 0.381 4.721 4.340 0.000 0.000 0.284 3307 L C 0.721 177.621 176.870 0.049 0.000 1.023 3307 L CA -0.502 54.368 54.840 0.051 0.000 0.810 3307 L CB 1.759 43.844 42.059 0.043 0.000 1.231 3307 L HN 0.623 nan 8.230 nan 0.000 0.423 3308 N N 0.748 119.469 118.700 0.035 0.000 2.322 3308 N HA -0.021 4.719 4.740 0.000 0.000 0.181 3308 N C 0.445 175.970 175.510 0.025 0.000 1.088 3308 N CA -0.277 52.791 53.050 0.030 0.000 0.885 3308 N CB -0.304 38.196 38.487 0.023 0.000 1.013 3308 N HN 0.586 nan 8.380 nan 0.000 0.472 3309 C N 0.245 119.558 119.300 0.022 0.000 2.595 3309 C HA 0.849 5.309 4.460 0.000 0.000 0.384 3309 C C 0.949 175.950 174.990 0.019 0.000 1.289 3309 C CA -1.450 57.579 59.018 0.018 0.000 2.372 3309 C CB -0.180 27.570 27.740 0.015 0.000 2.593 3309 C HN 0.479 nan 8.230 nan 0.000 0.639 3310 A N 2.433 125.262 122.820 0.015 0.000 2.401 3310 A HA 0.596 4.916 4.320 0.000 0.000 0.259 3310 A C 0.040 177.631 177.584 0.012 0.000 1.103 3310 A CA -0.516 51.529 52.037 0.014 0.000 0.789 3310 A CB -0.162 18.845 19.000 0.011 0.000 1.035 3310 A HN 0.879 nan 8.150 nan 0.000 0.491 3311 I N 2.835 123.412 120.570 0.011 0.000 2.317 3311 I HA 0.266 4.436 4.170 0.000 0.000 0.286 3311 I C -0.284 175.838 176.117 0.009 0.000 1.119 3311 I CA -0.061 61.245 61.300 0.011 0.000 1.228 3311 I CB -0.211 37.796 38.000 0.011 0.000 1.476 3311 I HN 0.828 nan 8.210 nan 0.000 0.514 3312 E N 3.908 124.115 120.200 0.010 0.000 2.445 3312 E HA 0.544 4.894 4.350 0.000 0.000 0.273 3312 E C -0.693 175.917 176.600 0.016 0.000 0.961 3312 E CA -1.045 55.361 56.400 0.010 0.000 0.807 3312 E CB 1.127 30.829 29.700 0.004 0.000 1.362 3312 E HN 0.095 nan 8.360 nan 0.000 0.453 3313 I N 1.466 122.048 120.570 0.020 0.000 2.705 3313 I HA 0.071 4.241 4.170 0.000 0.000 0.291 3313 I C 0.209 176.338 176.117 0.019 0.000 1.146 3313 I CA 0.114 61.429 61.300 0.025 0.000 1.383 3313 I CB -0.732 37.288 38.000 0.032 0.000 1.454 3313 I HN 0.375 nan 8.210 nan 0.000 0.581 3314 K N 7.158 127.568 120.400 0.017 0.000 2.412 3314 K HA 0.143 4.463 4.320 0.000 0.000 0.281 3314 K C -0.034 176.576 176.600 0.017 0.000 1.027 3314 K CA 0.049 56.345 56.287 0.014 0.000 0.989 3314 K CB 0.407 32.914 32.500 0.012 0.000 0.935 3314 K HN 0.688 nan 8.250 nan 0.000 0.475 3315 E N 1.644 121.852 120.200 0.013 0.000 2.227 3315 E HA 0.251 4.601 4.350 0.000 0.000 0.268 3315 E C -0.746 175.861 176.600 0.010 0.000 0.907 3315 E CA -1.110 55.298 56.400 0.013 0.000 0.786 3315 E CB 1.371 31.076 29.700 0.008 0.000 1.191 3315 E HN 0.487 nan 8.360 nan 0.000 0.411 3316 T N 1.062 115.622 114.554 0.011 0.000 2.906 3316 T HA -0.038 4.312 4.350 0.000 0.000 0.320 3316 T C 0.729 175.433 174.700 0.006 0.000 1.088 3316 T CA 0.146 62.252 62.100 0.009 0.000 1.120 3316 T CB 0.512 69.387 68.868 0.011 0.000 1.000 3316 T HN 0.590 nan 8.240 nan 0.000 0.550 3317 E N 1.374 121.577 120.200 0.006 0.000 2.153 3317 E HA 0.020 4.370 4.350 0.000 0.000 0.194 3317 E C 1.270 177.872 176.600 0.003 0.000 0.988 3317 E CA 1.275 57.677 56.400 0.004 0.000 0.811 3317 E CB -0.333 29.370 29.700 0.004 0.000 0.746 3317 E HN 0.868 nan 8.360 nan 0.000 0.466 3318 T N -0.709 113.847 114.554 0.003 0.000 2.868 3318 T HA 0.095 4.445 4.350 0.000 0.000 0.292 3318 T C 0.207 174.907 174.700 0.000 0.000 1.028 3318 T CA -0.915 61.187 62.100 0.002 0.000 1.059 3318 T CB 1.072 69.942 68.868 0.004 0.000 0.991 3318 T HN -0.174 nan 8.240 nan 0.000 0.531 3319 D N 1.069 121.468 120.400 -0.001 0.000 2.382 3319 D HA 0.431 5.071 4.640 0.000 0.000 0.259 3319 D C -0.345 175.952 176.300 -0.005 0.000 1.224 3319 D CA 0.175 54.173 54.000 -0.004 0.000 0.894 3319 D CB -0.152 40.645 40.800 -0.005 0.000 1.127 3319 D HN 0.938 nan 8.370 nan 0.000 0.487 3320 A N 3.705 126.520 122.820 -0.009 0.000 2.587 3320 A HA 0.724 5.044 4.320 0.000 0.000 0.293 3320 A C -1.061 176.508 177.584 -0.026 0.000 1.087 3320 A CA -0.803 51.227 52.037 -0.012 0.000 0.692 3320 A CB 1.498 20.495 19.000 -0.003 0.000 1.291 3320 A HN 0.614 nan 8.150 nan 0.000 0.407 3321 E N 0.491 120.667 120.200 -0.040 0.000 2.392 3321 E HA 0.593 4.943 4.350 0.000 0.000 0.279 3321 E C -1.597 174.932 176.600 -0.118 0.000 0.964 3321 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 3321 E CB 1.087 30.748 29.700 -0.065 0.000 1.249 3321 E HN 0.317 nan 8.360 nan 0.000 0.449 3322 I N 1.797 122.242 120.570 -0.207 0.000 2.556 3322 I HA 0.101 4.271 4.170 0.000 0.000 0.284 3322 I C 0.174 176.088 176.117 -0.339 0.000 1.114 3322 I CA 0.001 61.047 61.300 -0.425 0.000 1.418 3322 I CB 0.289 37.859 38.000 -0.717 0.000 1.394 3322 I HN 0.343 nan 8.210 nan 0.000 0.552 3323 R N 7.057 127.388 120.500 -0.282 0.000 2.332 3323 R HA 0.381 4.721 4.340 0.000 0.000 0.306 3323 R C -0.674 175.592 176.300 -0.056 0.000 1.117 3323 R CA -0.861 55.168 56.100 -0.117 0.000 1.108 3323 R CB 0.382 30.666 30.300 -0.027 0.000 1.126 3323 R HN 0.418 nan 8.270 nan 0.000 0.548 3324 I N 2.689 123.211 120.570 -0.079 0.000 2.648 3324 I HA -0.049 4.121 4.170 0.000 0.000 0.284 3324 I C 1.707 177.867 176.117 0.071 0.000 1.153 3324 I CA 0.789 62.112 61.300 0.038 0.000 1.426 3324 I CB 0.641 38.646 38.000 0.008 0.000 1.381 3324 I HN 0.536 nan 8.210 nan 0.000 0.571 3325 T N -0.126 114.498 114.554 0.116 0.000 2.975 3325 T HA 0.218 4.568 4.350 0.000 0.000 0.261 3325 T C 0.240 174.977 174.700 0.062 0.000 0.984 3325 T CA -0.232 61.915 62.100 0.078 0.000 0.911 3325 T CB 0.747 69.664 68.868 0.081 0.000 1.127 3325 T HN 0.616 nan 8.240 nan 0.000 0.514 3326 D N 0.464 120.908 120.400 0.074 0.000 2.769 3326 D HA 0.275 4.915 4.640 0.000 0.000 0.219 3326 D C -2.559 173.777 176.300 0.059 0.000 1.245 3326 D CA -1.479 52.553 54.000 0.053 0.000 0.801 3326 D CB 2.540 43.365 40.800 0.041 0.000 1.598 3326 D HN -0.325 nan 8.370 nan 0.000 0.485 3327 P HA -0.135 nan 4.420 nan 0.000 0.218 3327 P C 0.950 178.275 177.300 0.043 0.000 1.146 3327 P CA 1.610 64.734 63.100 0.040 0.000 0.820 3327 P CB 0.303 32.019 31.700 0.027 0.000 0.778 3328 A N -0.624 122.218 122.820 0.037 0.000 1.873 3328 A HA -0.181 4.139 4.320 0.000 0.000 0.215 3328 A C 2.128 179.736 177.584 0.039 0.000 1.186 3328 A CA 1.724 53.778 52.037 0.029 0.000 0.616 3328 A CB -0.938 18.071 19.000 0.014 0.000 0.823 3328 A HN 0.027 nan 8.150 nan 0.000 0.442 3329 K N -0.524 119.912 120.400 0.059 0.000 2.152 3329 K HA -0.078 4.243 4.320 0.000 0.000 0.206 3329 K C 1.700 178.448 176.600 0.247 0.000 1.048 3329 K CA 0.961 57.306 56.287 0.097 0.000 0.933 3329 K CB -0.520 32.074 32.500 0.156 0.000 0.721 3329 K HN 0.398 nan 8.250 nan 0.000 0.447 3330 L N 0.165 121.505 121.223 0.195 0.000 2.043 3330 L HA -0.199 4.141 4.340 0.000 0.000 0.212 3330 L C 1.749 178.717 176.870 0.164 0.000 1.075 3330 L CA 1.823 56.771 54.840 0.179 0.000 0.752 3330 L CB -0.263 41.851 42.059 0.092 0.000 0.891 3330 L HN 0.215 nan 8.230 nan 0.000 0.432 3331 M N -1.289 118.376 119.600 0.108 0.000 2.236 3331 M HA -0.110 4.370 4.480 0.000 0.000 0.266 3331 M C 2.210 178.547 176.300 0.061 0.000 1.070 3331 M CA 1.275 56.620 55.300 0.074 0.000 1.137 3331 M CB -1.089 31.537 32.600 0.044 0.000 1.378 3331 M HN 0.395 nan 8.290 nan 0.000 0.426 3332 E N 0.069 120.285 120.200 0.026 0.000 2.085 3332 E HA -0.189 4.161 4.350 0.000 0.000 0.194 3332 E C 1.899 178.446 176.600 -0.090 0.000 0.994 3332 E CA 1.281 57.640 56.400 -0.068 0.000 0.801 3332 E CB -0.039 29.562 29.700 -0.164 0.000 0.743 3332 E HN 0.384 nan 8.360 nan 0.000 0.453 3333 F N 0.495 120.451 119.950 0.010 0.000 2.134 3333 F HA -0.140 4.387 4.527 0.000 0.000 0.299 3333 F C 2.212 178.021 175.800 0.014 0.000 1.097 3333 F CA 0.934 58.940 58.000 0.010 0.000 1.264 3333 F CB -0.067 38.938 39.000 0.009 0.000 1.001 3333 F HN 0.055 nan 8.300 nan 0.000 0.479 3334 I N -0.321 120.372 120.570 0.205 0.000 2.226 3334 I HA -0.231 3.939 4.170 0.000 0.000 0.245 3334 I C 2.253 178.426 176.117 0.093 0.000 1.100 3334 I CA 1.139 62.515 61.300 0.127 0.000 1.374 3334 I CB -0.371 37.687 38.000 0.096 0.000 1.057 3334 I HN 0.095 nan 8.210 nan 0.000 0.413 3335 E N 0.279 120.520 120.200 0.069 0.000 2.150 3335 E HA -0.257 4.093 4.350 0.000 0.000 0.193 3335 E C 2.018 178.636 176.600 0.030 0.000 0.985 3335 E CA 0.973 57.401 56.400 0.045 0.000 0.814 3335 E CB -0.201 29.513 29.700 0.023 0.000 0.752 3335 E HN 0.433 nan 8.360 nan 0.000 0.466 3336 Q N 1.202 121.012 119.800 0.017 0.000 2.084 3336 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 3336 Q C 1.827 177.844 176.000 0.029 0.000 0.978 3336 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 3336 Q CB 0.039 28.753 28.738 -0.041 0.000 0.898 3336 Q HN 0.095 nan 8.270 nan 0.000 0.426 3337 E N 0.219 120.459 120.200 0.067 0.000 2.150 3337 E HA -0.149 4.201 4.350 0.000 0.000 0.193 3337 E C 1.823 178.462 176.600 0.065 0.000 0.985 3337 E CA 0.885 57.327 56.400 0.070 0.000 0.814 3337 E CB 0.000 29.754 29.700 0.089 0.000 0.752 3337 E HN 0.487 nan 8.360 nan 0.000 0.466 3338 E N 0.924 121.173 120.200 0.082 0.000 2.072 3338 E HA -0.162 4.188 4.350 0.000 0.000 0.191 3338 E C 2.024 178.635 176.600 0.018 0.000 0.985 3338 E CA 0.737 57.212 56.400 0.125 0.000 0.801 3338 E CB -0.147 29.645 29.700 0.154 0.000 0.750 3338 E HN 0.222 nan 8.360 nan 0.000 0.452 3339 K N 0.508 120.900 120.400 -0.014 0.000 2.057 3339 K HA -0.092 4.228 4.320 0.000 0.000 0.207 3339 K C 2.282 178.821 176.600 -0.102 0.000 1.049 3339 K CA 1.075 57.318 56.287 -0.072 0.000 0.931 3339 K CB -0.044 32.431 32.500 -0.042 0.000 0.714 3339 K HN 0.014 nan 8.250 nan 0.000 0.440 3340 M N 0.428 119.995 119.600 -0.055 0.000 2.065 3340 M HA -0.212 4.268 4.480 0.000 0.000 0.259 3340 M C 2.214 178.467 176.300 -0.079 0.000 1.069 3340 M CA 1.389 56.660 55.300 -0.047 0.000 1.110 3340 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 3340 M HN 0.191 nan 8.290 nan 0.000 0.405 3341 L N 0.224 121.398 121.223 -0.082 0.000 2.109 3341 L HA -0.095 4.245 4.340 0.000 0.000 0.207 3341 L C 2.278 178.971 176.870 -0.296 0.000 1.086 3341 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 3341 L CB -0.619 41.475 42.059 0.058 0.000 0.910 3341 L HN 0.173 nan 8.230 nan 0.000 0.437 3342 K N -0.665 119.352 120.400 -0.638 0.000 2.063 3342 K HA -0.204 4.116 4.320 0.000 0.000 0.208 3342 K C 1.590 177.958 176.600 -0.386 0.000 1.048 3342 K CA 1.820 57.546 56.287 -0.934 0.000 0.928 3342 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 3342 K HN 0.336 nan 8.250 nan 0.000 0.442 3343 D N 0.366 120.624 120.400 -0.237 0.000 2.144 3343 D HA -0.128 4.512 4.640 0.000 0.000 0.200 3343 D C 1.906 178.149 176.300 -0.096 0.000 0.978 3343 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 3343 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 3343 D HN 0.295 nan 8.370 nan 0.000 0.470 3344 M N 0.032 119.576 119.600 -0.093 0.000 2.080 3344 M HA -0.155 4.325 4.480 0.000 0.000 0.260 3344 M C 2.275 178.550 176.300 -0.040 0.000 1.068 3344 M CA 1.079 56.348 55.300 -0.053 0.000 1.109 3344 M CB -0.212 32.365 32.600 -0.038 0.000 1.342 3344 M HN -0.103 nan 8.290 nan 0.000 0.405 3345 V N 0.193 120.074 119.914 -0.054 0.000 2.427 3345 V HA -0.200 3.920 4.120 0.000 0.000 0.248 3345 V C 2.590 178.671 176.094 -0.022 0.000 1.051 3345 V CA 1.803 64.092 62.300 -0.019 0.000 1.048 3345 V CB -1.117 30.717 31.823 0.018 0.000 0.666 3345 V HN 0.521 nan 8.190 nan 0.000 0.456 3346 A N -0.428 122.361 122.820 -0.051 0.000 1.978 3346 A HA -0.199 4.121 4.320 0.000 0.000 0.220 3346 A C 2.189 179.758 177.584 -0.024 0.000 1.170 3346 A CA 1.615 53.630 52.037 -0.037 0.000 0.636 3346 A CB -0.317 18.649 19.000 -0.056 0.000 0.810 3346 A HN 0.536 nan 8.150 nan 0.000 0.448 3347 E N -0.119 120.066 120.200 -0.025 0.000 2.107 3347 E HA -0.074 4.276 4.350 0.000 0.000 0.191 3347 E C 1.979 178.575 176.600 -0.007 0.000 0.982 3347 E CA 0.835 57.226 56.400 -0.015 0.000 0.809 3347 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 3347 E HN 0.741 nan 8.360 nan 0.000 0.459 3348 I N 1.349 121.916 120.570 -0.005 0.000 2.226 3348 I HA -0.247 3.923 4.170 0.000 0.000 0.245 3348 I C 2.635 178.755 176.117 0.004 0.000 1.100 3348 I CA 1.039 62.341 61.300 0.002 0.000 1.374 3348 I CB -0.256 37.746 38.000 0.004 0.000 1.057 3348 I HN -0.019 nan 8.210 nan 0.000 0.413 3349 K N 1.663 122.064 120.400 0.002 0.000 2.057 3349 K HA -0.141 4.179 4.320 0.000 0.000 0.207 3349 K C 2.126 178.728 176.600 0.003 0.000 1.049 3349 K CA 1.758 58.048 56.287 0.004 0.000 0.931 3349 K CB -0.241 32.262 32.500 0.005 0.000 0.714 3349 K HN 0.296 nan 8.250 nan 0.000 0.440 3350 A N 0.626 123.446 122.820 -0.000 0.000 2.024 3350 A HA -0.107 4.213 4.320 0.000 0.000 0.220 3350 A C 2.202 179.787 177.584 0.003 0.000 1.164 3350 A CA 1.964 54.000 52.037 -0.000 0.000 0.643 3350 A CB -0.468 18.529 19.000 -0.004 0.000 0.806 3350 A HN 0.380 nan 8.150 nan 0.000 0.451 3351 S N -1.722 113.981 115.700 0.005 0.000 2.419 3351 S HA 0.205 4.675 4.470 0.000 0.000 0.233 3351 S C 1.648 176.254 174.600 0.011 0.000 1.016 3351 S CA 1.303 59.508 58.200 0.008 0.000 0.974 3351 S CB -0.199 63.007 63.200 0.010 0.000 0.786 3351 S HN 1.674 nan 8.310 nan 0.000 0.492 3352 G N 0.668 109.474 108.800 0.010 0.000 2.179 3352 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 3352 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 3352 G C 0.135 175.044 174.900 0.014 0.000 0.990 3352 G CA -0.124 44.983 45.100 0.011 0.000 0.646 3352 G HN 0.859 nan 8.290 nan 0.000 0.517 3353 A N 0.510 123.339 122.820 0.014 0.000 2.425 3353 A HA 0.598 4.918 4.320 0.000 0.000 0.249 3353 A C 1.082 178.671 177.584 0.008 0.000 1.084 3353 A CA 1.036 53.083 52.037 0.016 0.000 0.781 3353 A CB 0.256 19.266 19.000 0.017 0.000 1.019 3353 A HN 1.217 nan 8.150 nan 0.000 0.490 3354 N N 0.048 118.752 118.700 0.007 0.000 2.067 3354 N HA 0.113 4.853 4.740 0.000 0.000 0.227 3354 N C -0.856 174.640 175.510 -0.022 0.000 1.348 3354 N CA 0.210 53.258 53.050 -0.004 0.000 0.879 3354 N CB 0.311 38.800 38.487 0.003 0.000 1.109 3354 N HN 0.260 nan 8.380 nan 0.000 0.501 3355 V N 1.620 121.521 119.914 -0.021 0.000 2.540 3355 V HA 0.620 4.740 4.120 0.000 0.000 0.302 3355 V C -1.262 174.777 176.094 -0.092 0.000 1.035 3355 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 3355 V CB 1.880 33.702 31.823 -0.002 0.000 0.992 3355 V HN 0.217 nan 8.190 nan 0.000 0.428 3356 L N 5.292 126.366 121.223 -0.247 0.000 2.438 3356 L HA 0.732 5.072 4.340 0.000 0.000 0.270 3356 L C -1.659 174.976 176.870 -0.391 0.000 0.972 3356 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 3356 L CB 1.730 43.735 42.059 -0.090 0.000 1.273 3356 L HN 0.466 nan 8.230 nan 0.000 0.405 3357 F N 4.558 124.519 119.950 0.017 0.000 2.449 3357 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 3357 F C 0.006 175.814 175.800 0.013 0.000 1.127 3357 F CA -0.411 57.599 58.000 0.016 0.000 0.975 3357 F CB 1.702 40.711 39.000 0.016 0.000 1.146 3357 F HN 0.565 nan 8.300 nan 0.000 0.444 3358 C N 4.737 124.130 119.300 0.154 0.000 2.322 3358 C HA 0.276 4.736 4.460 0.000 0.000 0.324 3358 C C 1.522 176.570 174.990 0.096 0.000 1.284 3358 C CA -0.417 58.658 59.018 0.096 0.000 1.606 3358 C CB 0.980 28.750 27.740 0.049 0.000 2.251 3358 C HN 0.958 nan 8.230 nan 0.000 0.502 3359 Q N 3.105 122.949 119.800 0.074 0.000 2.119 3359 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 3359 Q C 0.818 176.844 176.000 0.042 0.000 0.972 3359 Q CA 1.589 57.425 55.803 0.055 0.000 0.847 3359 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 3359 Q HN 0.756 nan 8.270 nan 0.000 0.433 3360 K N -1.067 119.354 120.400 0.036 0.000 2.520 3360 K HA 0.416 4.737 4.320 0.000 0.000 0.256 3360 K C 0.327 176.942 176.600 0.025 0.000 1.033 3360 K CA -0.183 56.120 56.287 0.026 0.000 1.007 3360 K CB 0.071 32.583 32.500 0.020 0.000 1.330 3360 K HN 0.102 nan 8.250 nan 0.000 0.507 3361 G N 0.351 109.161 108.800 0.017 0.000 2.569 3361 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 3361 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 3361 G C -0.486 174.417 174.900 0.006 0.000 1.216 3361 G CA -0.498 44.608 45.100 0.010 0.000 0.845 3361 G HN 0.367 nan 8.290 nan 0.000 0.568 3362 I N 0.919 121.488 120.570 -0.003 0.000 2.439 3362 I HA 0.150 4.320 4.170 0.000 0.000 0.285 3362 I C -0.409 175.689 176.117 -0.031 0.000 1.021 3362 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 3362 I CB 1.934 39.925 38.000 -0.014 0.000 1.242 3362 I HN 0.422 nan 8.210 nan 0.000 0.439 3363 D N 5.228 125.607 120.400 -0.035 0.000 2.455 3363 D HA -0.054 4.586 4.640 0.000 0.000 0.241 3363 D C 0.668 176.890 176.300 -0.130 0.000 1.138 3363 D CA 0.174 54.138 54.000 -0.061 0.000 0.877 3363 D CB 1.313 42.088 40.800 -0.041 0.000 1.187 3363 D HN 0.480 nan 8.370 nan 0.000 0.451 3364 D N 2.861 123.151 120.400 -0.182 0.000 2.172 3364 D HA -0.202 4.438 4.640 0.000 0.000 0.196 3364 D C 1.746 177.554 176.300 -0.820 0.000 0.999 3364 D CA 0.667 54.444 54.000 -0.370 0.000 0.856 3364 D CB 0.005 40.641 40.800 -0.274 0.000 0.934 3364 D HN 0.371 nan 8.370 nan 0.000 0.453 3365 L N 0.623 121.527 121.223 -0.532 0.000 2.083 3365 L HA -0.071 4.269 4.340 0.000 0.000 0.209 3365 L C 2.105 178.856 176.870 -0.199 0.000 1.083 3365 L CA 1.725 56.312 54.840 -0.423 0.000 0.752 3365 L CB -0.698 41.304 42.059 -0.095 0.000 0.899 3365 L HN -0.012 nan 8.230 nan 0.000 0.433 3366 A N -1.174 121.609 122.820 -0.061 0.000 1.933 3366 A HA -0.241 4.079 4.320 0.000 0.000 0.218 3366 A C 2.166 179.769 177.584 0.030 0.000 1.175 3366 A CA 1.695 53.777 52.037 0.074 0.000 0.628 3366 A CB -0.536 18.486 19.000 0.038 0.000 0.814 3366 A HN 0.651 nan 8.150 nan 0.000 0.444 3367 Q N -1.054 118.697 119.800 -0.081 0.000 2.170 3367 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 3367 Q C 1.786 177.814 176.000 0.047 0.000 0.976 3367 Q CA 1.562 57.346 55.803 -0.033 0.000 0.858 3367 Q CB -0.339 28.367 28.738 -0.053 0.000 0.907 3367 Q HN 0.891 nan 8.270 nan 0.000 0.433 3368 H N -1.341 117.671 119.070 -0.098 0.000 2.389 3368 H HA -0.124 4.432 4.556 0.000 0.000 0.299 3368 H C 1.307 176.520 175.328 -0.192 0.000 1.081 3368 H CA 1.031 56.963 56.048 -0.194 0.000 1.345 3368 H CB 0.108 29.669 29.762 -0.334 0.000 1.393 3368 H HN 0.305 nan 8.280 nan 0.000 0.520 3369 Y N 0.383 120.749 120.300 0.109 0.000 2.365 3369 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 3369 Y C 2.405 178.322 175.900 0.029 0.000 1.119 3369 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 3369 Y CB 0.117 38.596 38.460 0.033 0.000 1.026 3369 Y HN 0.072 nan 8.280 nan 0.000 0.549 3370 L N -0.615 120.707 121.223 0.166 0.000 2.083 3370 L HA -0.246 4.094 4.340 0.000 0.000 0.209 3370 L C 2.649 179.552 176.870 0.055 0.000 1.083 3370 L CA 1.069 55.959 54.840 0.083 0.000 0.752 3370 L CB -0.630 41.455 42.059 0.044 0.000 0.899 3370 L HN 0.240 nan 8.230 nan 0.000 0.433 3371 A N -0.163 122.689 122.820 0.053 0.000 1.969 3371 A HA -0.238 4.082 4.320 0.000 0.000 0.218 3371 A C 2.372 179.975 177.584 0.032 0.000 1.169 3371 A CA 1.697 53.752 52.037 0.031 0.000 0.635 3371 A CB -0.384 18.630 19.000 0.023 0.000 0.810 3371 A HN 0.322 nan 8.150 nan 0.000 0.445 3372 K N -0.366 120.069 120.400 0.058 0.000 2.097 3372 K HA -0.145 4.175 4.320 0.000 0.000 0.206 3372 K C 1.029 177.657 176.600 0.047 0.000 1.049 3372 K CA 1.512 57.835 56.287 0.060 0.000 0.933 3372 K CB -0.003 32.565 32.500 0.112 0.000 0.717 3372 K HN 0.353 nan 8.250 nan 0.000 0.442 3373 E N -0.759 119.470 120.200 0.048 0.000 2.474 3373 E HA 0.059 4.409 4.350 0.000 0.000 0.195 3373 E C 0.602 177.213 176.600 0.018 0.000 1.039 3373 E CA 0.628 57.047 56.400 0.031 0.000 0.881 3373 E CB 0.880 30.599 29.700 0.031 0.000 0.970 3373 E HN 0.540 nan 8.360 nan 0.000 0.486 3374 G N 2.117 110.926 108.800 0.016 0.000 2.176 3374 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 3374 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 3374 G C 0.231 175.130 174.900 -0.002 0.000 1.024 3374 G CA 0.107 45.210 45.100 0.005 0.000 0.755 3374 G HN 0.273 nan 8.290 nan 0.000 0.507 3375 I N 0.993 121.562 120.570 -0.002 0.000 2.352 3375 I HA 0.378 4.548 4.170 0.000 0.000 0.290 3375 I C 1.125 177.219 176.117 -0.037 0.000 1.036 3375 I CA -0.955 60.334 61.300 -0.017 0.000 1.336 3375 I CB 1.375 39.368 38.000 -0.011 0.000 1.407 3375 I HN 0.165 nan 8.210 nan 0.000 0.497 3376 V N 4.070 123.947 119.914 -0.061 0.000 2.546 3376 V HA 0.889 5.009 4.120 0.000 0.000 0.284 3376 V C 0.115 176.107 176.094 -0.170 0.000 1.050 3376 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 3376 V CB 1.119 32.889 31.823 -0.088 0.000 0.990 3376 V HN 0.830 nan 8.190 nan 0.000 0.474 3377 A N 3.709 126.424 122.820 -0.174 0.000 2.539 3377 A HA 1.020 5.340 4.320 0.000 0.000 0.296 3377 A C -0.357 177.100 177.584 -0.212 0.000 1.073 3377 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 3377 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 3377 A HN 2.417 nan 8.150 nan 0.000 0.405 3378 A N 1.525 124.194 122.820 -0.253 0.000 2.381 3378 A HA 0.740 5.060 4.320 0.000 0.000 0.299 3378 A C -0.093 177.499 177.584 0.012 0.000 1.049 3378 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 3378 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 3378 A HN 1.277 nan 8.150 nan 0.000 0.428 3379 R N 2.020 122.538 120.500 0.029 0.000 2.602 3379 R HA 0.696 5.036 4.340 0.000 0.000 0.237 3379 R C 0.374 176.711 176.300 0.062 0.000 1.219 3379 R CA -0.152 55.973 56.100 0.042 0.000 1.121 3379 R CB 0.340 30.651 30.300 0.017 0.000 1.408 3379 R HN 1.067 nan 8.270 nan 0.000 0.559 3380 R N -1.198 119.331 120.500 0.049 0.000 3.502 3380 R HA -0.130 4.210 4.340 0.000 0.000 0.266 3380 R C -1.234 175.099 176.300 0.056 0.000 1.077 3380 R CA 0.707 56.833 56.100 0.044 0.000 0.718 3380 R CB -2.558 27.762 30.300 0.032 0.000 1.120 3380 R HN 0.291 nan 8.270 nan 0.000 0.457 3381 V N 1.283 121.243 119.914 0.077 0.000 2.614 3381 V HA 0.082 4.202 4.120 0.000 0.000 0.291 3381 V C 1.179 177.298 176.094 0.042 0.000 1.049 3381 V CA -0.177 62.172 62.300 0.081 0.000 1.038 3381 V CB 1.410 33.310 31.823 0.129 0.000 0.980 3381 V HN 0.329 nan 8.190 nan 0.000 0.481 3382 K N 3.072 123.487 120.400 0.024 0.000 2.448 3382 K HA 0.024 4.344 4.320 0.000 0.000 0.278 3382 K C 1.175 177.774 176.600 -0.001 0.000 1.009 3382 K CA -0.289 56.003 56.287 0.009 0.000 0.995 3382 K CB 0.525 33.025 32.500 0.001 0.000 0.917 3382 K HN 0.616 nan 8.250 nan 0.000 0.481 3383 K N 2.310 122.710 120.400 0.001 0.000 2.113 3383 K HA -0.188 4.132 4.320 0.000 0.000 0.208 3383 K C 1.853 178.443 176.600 -0.016 0.000 1.047 3383 K CA 2.127 58.411 56.287 -0.004 0.000 0.928 3383 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 3383 K HN 0.580 nan 8.250 nan 0.000 0.446 3384 S N 0.163 115.852 115.700 -0.018 0.000 2.370 3384 S HA -0.154 4.316 4.470 0.000 0.000 0.226 3384 S C 1.344 175.919 174.600 -0.042 0.000 1.033 3384 S CA 1.759 59.944 58.200 -0.026 0.000 1.011 3384 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 3384 S HN 0.427 nan 8.310 nan 0.000 0.457 3385 D N 0.416 120.786 120.400 -0.050 0.000 2.234 3385 D HA 0.025 4.665 4.640 0.000 0.000 0.205 3385 D C 1.930 178.159 176.300 -0.118 0.000 0.962 3385 D CA 0.606 54.555 54.000 -0.085 0.000 0.855 3385 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 3385 D HN 0.390 nan 8.370 nan 0.000 0.500 3386 M N 0.749 120.301 119.600 -0.080 0.000 2.159 3386 M HA -0.098 4.382 4.480 0.000 0.000 0.263 3386 M C 1.827 178.089 176.300 -0.064 0.000 1.063 3386 M CA 1.232 56.489 55.300 -0.072 0.000 1.110 3386 M CB -0.724 31.864 32.600 -0.020 0.000 1.374 3386 M HN 0.072 nan 8.290 nan 0.000 0.411 3387 E N -0.076 120.094 120.200 -0.051 0.000 2.112 3387 E HA -0.126 4.224 4.350 0.000 0.000 0.190 3387 E C 2.016 178.584 176.600 -0.054 0.000 0.979 3387 E CA 0.790 57.165 56.400 -0.042 0.000 0.814 3387 E CB 0.015 29.698 29.700 -0.030 0.000 0.762 3387 E HN 0.492 nan 8.360 nan 0.000 0.460 3388 K N 0.573 120.931 120.400 -0.070 0.000 2.148 3388 K HA -0.075 4.245 4.320 0.000 0.000 0.204 3388 K C 2.100 178.642 176.600 -0.098 0.000 1.050 3388 K CA 0.749 56.989 56.287 -0.078 0.000 0.942 3388 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 3388 K HN 0.098 nan 8.250 nan 0.000 0.446 3389 L N 0.287 121.429 121.223 -0.136 0.000 2.072 3389 L HA -0.131 4.209 4.340 0.000 0.000 0.205 3389 L C 2.559 179.377 176.870 -0.088 0.000 1.079 3389 L CA 0.971 55.712 54.840 -0.164 0.000 0.752 3389 L CB -0.507 41.375 42.059 -0.295 0.000 0.906 3389 L HN 0.181 nan 8.230 nan 0.000 0.436 3390 A N 0.195 122.978 122.820 -0.062 0.000 1.902 3390 A HA -0.208 4.112 4.320 0.000 0.000 0.217 3390 A C 2.328 179.900 177.584 -0.020 0.000 1.181 3390 A CA 1.638 53.659 52.037 -0.027 0.000 0.623 3390 A CB -0.287 18.702 19.000 -0.019 0.000 0.818 3390 A HN 0.306 nan 8.150 nan 0.000 0.443 3391 K N -0.432 119.952 120.400 -0.028 0.000 2.031 3391 K HA 0.028 4.348 4.320 0.000 0.000 0.205 3391 K C 2.386 178.978 176.600 -0.013 0.000 1.049 3391 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 3391 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 3391 K HN 0.416 nan 8.250 nan 0.000 0.438 3392 A N 1.189 123.992 122.820 -0.028 0.000 1.855 3392 A HA -0.146 4.174 4.320 0.000 0.000 0.215 3392 A C 2.305 179.882 177.584 -0.011 0.000 1.191 3392 A CA 2.226 54.248 52.037 -0.025 0.000 0.613 3392 A CB -1.064 17.907 19.000 -0.049 0.000 0.829 3392 A HN 0.469 nan 8.150 nan 0.000 0.442 3393 T N -4.237 110.308 114.554 -0.015 0.000 3.043 3393 T HA 0.352 4.702 4.350 0.000 0.000 0.263 3393 T C 1.460 176.171 174.700 0.019 0.000 1.094 3393 T CA 1.239 63.341 62.100 0.004 0.000 1.127 3393 T CB -0.186 68.687 68.868 0.008 0.000 0.905 3393 T HN 1.814 nan 8.240 nan 0.000 0.490 3394 G N 1.439 110.248 108.800 0.016 0.000 2.143 3394 G HA2 -0.036 3.924 3.960 0.000 0.000 0.248 3394 G HA3 -0.036 3.924 3.960 0.000 0.000 0.248 3394 G C 0.259 175.172 174.900 0.022 0.000 0.991 3394 G CA 0.023 45.137 45.100 0.022 0.000 0.689 3394 G HN 1.209 nan 8.290 nan 0.000 0.522 3395 A N -0.385 122.447 122.820 0.019 0.000 2.445 3395 A HA 0.594 4.914 4.320 0.000 0.000 0.242 3395 A C 0.378 177.974 177.584 0.021 0.000 1.075 3395 A CA 0.612 52.665 52.037 0.028 0.000 0.777 3395 A CB 0.397 19.419 19.000 0.038 0.000 1.013 3395 A HN 0.912 nan 8.150 nan 0.000 0.493 3396 N N 1.425 120.140 118.700 0.025 0.000 2.417 3396 N HA 0.400 5.141 4.740 0.000 0.000 0.274 3396 N C -0.867 174.657 175.510 0.023 0.000 0.987 3396 N CA -0.373 52.689 53.050 0.019 0.000 0.912 3396 N CB 1.318 39.815 38.487 0.017 0.000 1.177 3396 N HN 0.334 nan 8.380 nan 0.000 0.490 3397 V N 4.056 123.982 119.914 0.019 0.000 2.540 3397 V HA 0.102 4.222 4.120 0.000 0.000 0.297 3397 V C 0.486 176.592 176.094 0.021 0.000 1.024 3397 V CA 0.148 62.462 62.300 0.022 0.000 1.105 3397 V CB -0.122 31.711 31.823 0.016 0.000 0.938 3397 V HN 0.591 nan 8.190 nan 0.000 0.482 3398 I N 4.282 124.867 120.570 0.025 0.000 2.740 3398 I HA 0.472 4.642 4.170 0.000 0.000 0.303 3398 I C 1.107 177.236 176.117 0.020 0.000 1.044 3398 I CA 0.323 61.635 61.300 0.020 0.000 1.064 3398 I CB 2.433 40.446 38.000 0.021 0.000 1.249 3398 I HN 0.784 nan 8.210 nan 0.000 0.433 3399 T N 2.356 116.919 114.554 0.015 0.000 2.904 3399 T HA 0.187 4.537 4.350 0.000 0.000 0.243 3399 T C 0.781 175.489 174.700 0.013 0.000 1.024 3399 T CA 0.283 62.391 62.100 0.014 0.000 1.158 3399 T CB -0.341 68.534 68.868 0.011 0.000 0.867 3399 T HN 0.429 nan 8.240 nan 0.000 0.429 3400 N N 0.633 119.339 118.700 0.010 0.000 2.456 3400 N HA 0.364 5.104 4.740 0.000 0.000 0.288 3400 N C 0.951 176.466 175.510 0.009 0.000 1.059 3400 N CA -0.584 52.471 53.050 0.008 0.000 0.946 3400 N CB 1.105 39.596 38.487 0.006 0.000 1.150 3400 N HN 0.288 nan 8.380 nan 0.000 0.479 3401 I N 2.206 122.780 120.570 0.007 0.000 2.264 3401 I HA -0.235 3.935 4.170 0.000 0.000 0.248 3401 I C 1.955 178.074 176.117 0.002 0.000 1.111 3401 I CA 0.899 62.202 61.300 0.005 0.000 1.382 3401 I CB 0.028 38.029 38.000 0.002 0.000 1.060 3401 I HN 0.451 nan 8.210 nan 0.000 0.418 3402 K N 0.406 120.806 120.400 0.000 0.000 2.211 3402 K HA -0.156 4.164 4.320 0.000 0.000 0.203 3402 K C 1.423 178.024 176.600 0.001 0.000 1.050 3402 K CA 1.214 57.500 56.287 -0.002 0.000 0.945 3402 K CB -0.321 32.177 32.500 -0.003 0.000 0.732 3402 K HN 0.335 nan 8.250 nan 0.000 0.451 3403 D N 0.585 120.987 120.400 0.004 0.000 2.249 3403 D HA -0.064 4.576 4.640 0.000 0.000 0.205 3403 D C 0.578 176.883 176.300 0.008 0.000 0.962 3403 D CA 0.033 54.036 54.000 0.006 0.000 0.860 3403 D CB -0.171 40.633 40.800 0.007 0.000 0.955 3403 D HN -0.014 nan 8.370 nan 0.000 0.505 3404 L N 1.580 122.809 121.223 0.010 0.000 2.628 3404 L HA 0.024 4.364 4.340 0.000 0.000 0.274 3404 L C 0.328 177.205 176.870 0.011 0.000 1.209 3404 L CA 0.236 55.083 54.840 0.013 0.000 0.930 3404 L CB 0.042 42.110 42.059 0.015 0.000 1.183 3404 L HN -0.056 nan 8.230 nan 0.000 0.492 3405 S N 3.355 119.063 115.700 0.013 0.000 2.704 3405 S HA 0.800 5.270 4.470 0.000 0.000 0.296 3405 S C 0.853 175.462 174.600 0.015 0.000 1.138 3405 S CA -0.388 57.819 58.200 0.011 0.000 0.875 3405 S CB 1.264 64.470 63.200 0.010 0.000 1.151 3405 S HN 0.812 nan 8.310 nan 0.000 0.500 3406 A N 0.518 123.346 122.820 0.014 0.000 1.978 3406 A HA -0.089 4.231 4.320 0.000 0.000 0.220 3406 A C 2.026 179.621 177.584 0.017 0.000 1.170 3406 A CA 1.376 53.423 52.037 0.016 0.000 0.636 3406 A CB -0.925 18.083 19.000 0.014 0.000 0.810 3406 A HN 0.738 nan 8.150 nan 0.000 0.448 3407 Q N 0.066 119.875 119.800 0.015 0.000 2.437 3407 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 3407 Q C 0.643 176.653 176.000 0.017 0.000 0.972 3407 Q CA 1.160 56.972 55.803 0.015 0.000 0.903 3407 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 3407 Q HN 0.682 nan 8.270 nan 0.000 0.486 3408 D N -0.279 120.132 120.400 0.019 0.000 2.346 3408 D HA 0.076 4.716 4.640 0.000 0.000 0.206 3408 D C 0.490 176.807 176.300 0.029 0.000 1.001 3408 D CA 0.093 54.106 54.000 0.022 0.000 0.871 3408 D CB 0.648 41.461 40.800 0.021 0.000 0.943 3408 D HN 0.198 nan 8.370 nan 0.000 0.518 3409 L N 1.032 122.272 121.223 0.030 0.000 2.380 3409 L HA 0.381 4.721 4.340 0.000 0.000 0.273 3409 L C 1.154 178.047 176.870 0.038 0.000 1.138 3409 L CA -0.452 54.410 54.840 0.037 0.000 0.832 3409 L CB 1.213 43.292 42.059 0.034 0.000 1.124 3409 L HN -0.143 nan 8.230 nan 0.000 0.454 3410 G N 1.206 110.033 108.800 0.046 0.000 2.491 3410 G HA2 0.457 4.417 3.960 0.000 0.000 0.327 3410 G HA3 0.457 4.417 3.960 0.000 0.000 0.327 3410 G C -1.188 173.739 174.900 0.045 0.000 1.189 3410 G CA -0.489 44.637 45.100 0.042 0.000 0.956 3410 G HN 0.533 nan 8.290 nan 0.000 0.491 3411 D N -0.172 120.250 120.400 0.038 0.000 2.248 3411 D HA 0.594 5.234 4.640 0.000 0.000 0.246 3411 D C -0.354 175.964 176.300 0.030 0.000 1.027 3411 D CA 0.028 54.048 54.000 0.033 0.000 0.853 3411 D CB 2.079 42.894 40.800 0.025 0.000 1.243 3411 D HN 0.553 nan 8.370 nan 0.000 0.462 3412 A N 0.588 123.430 122.820 0.037 0.000 2.398 3412 A HA 0.604 4.924 4.320 0.000 0.000 0.301 3412 A C 0.997 178.600 177.584 0.031 0.000 1.041 3412 A CA -0.485 51.573 52.037 0.036 0.000 0.711 3412 A CB 1.656 20.694 19.000 0.063 0.000 1.240 3412 A HN 0.515 nan 8.150 nan 0.000 0.420 3413 G N 0.654 109.466 108.800 0.019 0.000 2.422 3413 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 3413 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 3413 G C 0.326 175.243 174.900 0.029 0.000 1.146 3413 G CA 1.690 46.799 45.100 0.016 0.000 0.769 3413 G HN 1.136 nan 8.290 nan 0.000 0.547 3414 L N -0.070 121.179 121.223 0.043 0.000 2.505 3414 L HA 0.599 4.939 4.340 0.000 0.000 0.266 3414 L C -1.313 175.608 176.870 0.085 0.000 0.954 3414 L CA -0.753 54.121 54.840 0.056 0.000 0.852 3414 L CB 2.504 44.594 42.059 0.053 0.000 1.282 3414 L HN -0.143 nan 8.230 nan 0.000 0.403 3415 V N 4.487 124.454 119.914 0.089 0.000 2.350 3415 V HA 0.632 4.752 4.120 0.000 0.000 0.285 3415 V C -0.411 175.740 176.094 0.095 0.000 1.014 3415 V CA -0.420 61.954 62.300 0.124 0.000 0.831 3415 V CB 1.320 33.227 31.823 0.140 0.000 1.000 3415 V HN 0.823 nan 8.190 nan 0.000 0.433 3416 E N 3.215 123.481 120.200 0.110 0.000 2.308 3416 E HA 0.391 4.741 4.350 0.000 0.000 0.275 3416 E C -0.964 175.643 176.600 0.012 0.000 0.890 3416 E CA -0.681 55.747 56.400 0.047 0.000 0.754 3416 E CB 2.168 31.882 29.700 0.024 0.000 1.207 3416 E HN 0.734 nan 8.360 nan 0.000 0.426 3417 E N 4.137 124.322 120.200 -0.026 0.000 2.180 3417 E HA 0.216 4.566 4.350 0.000 0.000 0.283 3417 E C -0.896 175.612 176.600 -0.153 0.000 1.061 3417 E CA -0.151 56.212 56.400 -0.061 0.000 0.861 3417 E CB 0.640 30.321 29.700 -0.032 0.000 1.056 3417 E HN 0.336 nan 8.360 nan 0.000 0.407 3418 R N 3.681 124.009 120.500 -0.287 0.000 2.686 3418 R HA 0.396 4.736 4.340 0.000 0.000 0.283 3418 R C -0.802 175.323 176.300 -0.292 0.000 0.978 3418 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 3418 R CB 2.007 31.876 30.300 -0.718 0.000 1.192 3418 R HN 0.325 nan 8.270 nan 0.000 0.457 3419 K N 2.390 122.677 120.400 -0.188 0.000 2.213 3419 K HA 0.414 4.734 4.320 0.000 0.000 0.270 3419 K C -0.774 175.775 176.600 -0.085 0.000 1.002 3419 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 3419 K CB 1.274 33.736 32.500 -0.064 0.000 1.093 3419 K HN 0.296 nan 8.250 nan 0.000 0.454 3420 I N 1.945 122.492 120.570 -0.038 0.000 2.390 3420 I HA 0.086 4.256 4.170 0.000 0.000 0.283 3420 I C 0.044 176.171 176.117 0.015 0.000 1.016 3420 I CA -0.178 61.125 61.300 0.005 0.000 1.151 3420 I CB 1.677 39.719 38.000 0.070 0.000 1.293 3420 I HN 0.578 nan 8.210 nan 0.000 0.458 3421 S N 4.471 120.176 115.700 0.009 0.000 3.581 3421 S HA -0.193 4.277 4.470 0.000 0.000 0.354 3421 S C 1.362 175.965 174.600 0.005 0.000 1.059 3421 S CA 1.065 59.270 58.200 0.009 0.000 1.060 3421 S CB -1.330 61.880 63.200 0.016 0.000 0.908 3421 S HN 1.458 nan 8.310 nan 0.000 0.475 3422 G N 0.439 109.237 108.800 -0.002 0.000 2.358 3422 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 3422 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 3422 G C -0.365 174.532 174.900 -0.004 0.000 1.073 3422 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 3422 G HN 0.606 nan 8.290 nan 0.000 0.509 3423 D N 1.880 122.284 120.400 0.006 0.000 2.412 3423 D HA 0.386 5.026 4.640 0.000 0.000 0.257 3423 D C 0.475 176.780 176.300 0.008 0.000 1.217 3423 D CA 0.897 54.906 54.000 0.014 0.000 0.897 3423 D CB 1.406 42.223 40.800 0.028 0.000 1.132 3423 D HN 0.276 nan 8.370 nan 0.000 0.493 3424 S N 3.433 119.136 115.700 0.005 0.000 2.481 3424 S HA 0.367 4.837 4.470 0.000 0.000 0.276 3424 S C -0.141 174.476 174.600 0.028 0.000 1.247 3424 S CA -0.424 57.773 58.200 -0.005 0.000 1.053 3424 S CB 0.148 63.345 63.200 -0.005 0.000 0.925 3424 S HN 0.315 nan 8.310 nan 0.000 0.491 3425 M N 4.437 124.050 119.600 0.023 0.000 2.619 3425 M HA 0.534 5.014 4.480 0.000 0.000 0.297 3425 M C -1.068 175.305 176.300 0.121 0.000 1.229 3425 M CA -0.652 54.723 55.300 0.125 0.000 0.860 3425 M CB 2.150 34.921 32.600 0.285 0.000 1.741 3425 M HN 0.441 nan 8.290 nan 0.000 0.462 3426 I N 1.998 122.715 120.570 0.246 0.000 2.330 3426 I HA 0.338 4.508 4.170 0.000 0.000 0.289 3426 I C -1.261 175.148 176.117 0.488 0.000 1.001 3426 I CA -0.458 61.010 61.300 0.279 0.000 1.193 3426 I CB 0.897 39.061 38.000 0.273 0.000 1.345 3426 I HN 0.391 nan 8.210 nan 0.000 0.461 3427 F N 6.256 126.245 119.950 0.066 0.000 2.391 3427 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 3427 F C 0.227 176.061 175.800 0.058 0.000 1.122 3427 F CA -0.995 57.032 58.000 0.045 0.000 1.120 3427 F CB 1.310 40.327 39.000 0.028 0.000 1.142 3427 F HN 0.001 nan 8.300 nan 0.000 0.483 3428 V N 4.915 124.926 119.914 0.163 0.000 2.311 3428 V HA 0.363 4.483 4.120 0.000 0.000 0.275 3428 V C -0.247 175.870 176.094 0.039 0.000 1.022 3428 V CA -0.577 61.785 62.300 0.104 0.000 0.830 3428 V CB 0.698 32.553 31.823 0.054 0.000 1.012 3428 V HN 0.786 nan 8.190 nan 0.000 0.452 3429 E N 3.318 123.553 120.200 0.058 0.000 2.433 3429 E HA 0.679 5.029 4.350 0.000 0.000 0.273 3429 E C -0.819 175.793 176.600 0.020 0.000 0.950 3429 E CA -0.910 55.506 56.400 0.027 0.000 0.796 3429 E CB 1.755 31.487 29.700 0.053 0.000 1.330 3429 E HN 0.231 nan 8.360 nan 0.000 0.455 3430 E N -0.945 119.255 120.200 0.001 0.000 2.596 3430 E HA -0.141 4.209 4.350 0.000 0.000 0.272 3430 E C -0.704 175.880 176.600 -0.026 0.000 1.039 3430 E CA 0.477 56.870 56.400 -0.011 0.000 0.804 3430 E CB -2.405 27.296 29.700 0.001 0.000 1.373 3430 E HN 0.597 nan 8.360 nan 0.000 0.404 3431 C N 0.814 120.096 119.300 -0.031 0.000 2.679 3431 C HA 0.049 4.509 4.460 0.000 0.000 0.417 3431 C C 2.285 177.223 174.990 -0.086 0.000 1.302 3431 C CA 0.055 59.050 59.018 -0.039 0.000 1.973 3431 C CB 0.357 28.079 27.740 -0.029 0.000 2.715 3431 C HN 0.388 nan 8.230 nan 0.000 0.628 3432 K N 0.859 121.192 120.400 -0.110 0.000 1.973 3432 K HA -0.068 4.252 4.320 0.000 0.000 0.212 3432 K C 0.447 176.753 176.600 -0.491 0.000 1.047 3432 K CA 1.302 57.424 56.287 -0.276 0.000 0.937 3432 K CB -0.057 32.328 32.500 -0.191 0.000 0.721 3432 K HN 0.686 nan 8.250 nan 0.000 0.440 3433 H N 0.390 119.459 119.070 -0.002 0.000 2.380 3433 H HA 0.244 4.800 4.556 0.000 0.000 0.231 3433 H C -2.501 172.821 175.328 -0.009 0.000 1.415 3433 H CA -1.981 54.064 56.048 -0.005 0.000 1.433 3433 H CB 0.653 30.413 29.762 -0.004 0.000 1.544 3433 H HN 0.197 nan 8.280 nan 0.000 0.503 3434 P HA 0.138 nan 4.420 nan 0.000 0.275 3434 P C 0.380 177.695 177.300 0.024 0.000 1.227 3434 P CA -0.529 62.583 63.100 0.021 0.000 0.781 3434 P CB 1.845 33.539 31.700 -0.010 0.000 0.906 3435 K N 0.618 121.024 120.400 0.010 0.000 2.373 3435 K HA 0.459 4.779 4.320 0.000 0.000 0.202 3435 K C 0.186 176.779 176.600 -0.012 0.000 1.025 3435 K CA 0.042 56.331 56.287 0.003 0.000 1.115 3435 K CB 0.530 33.031 32.500 0.001 0.000 0.858 3435 K HN 0.574 nan 8.250 nan 0.000 0.525 3436 A N -0.203 122.605 122.820 -0.020 0.000 2.520 3436 A HA 0.715 5.036 4.320 0.000 0.000 0.298 3436 A C -1.612 175.948 177.584 -0.041 0.000 1.051 3436 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 3436 A CB 1.776 20.750 19.000 -0.043 0.000 1.281 3436 A HN -0.051 nan 8.150 nan 0.000 0.402 3437 V N 0.869 120.755 119.914 -0.046 0.000 3.007 3437 V HA 0.852 4.972 4.120 0.000 0.000 0.311 3437 V C -0.801 175.253 176.094 -0.068 0.000 1.120 3437 V CA -0.153 62.114 62.300 -0.054 0.000 0.980 3437 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 3437 V HN 1.083 nan 8.190 nan 0.000 0.429 3438 T N 6.602 121.102 114.554 -0.089 0.000 2.848 3438 T HA 0.498 4.848 4.350 0.000 0.000 0.285 3438 T C -0.608 174.031 174.700 -0.103 0.000 0.995 3438 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 3438 T CB 1.327 70.100 68.868 -0.159 0.000 0.976 3438 T HN 0.751 nan 8.240 nan 0.000 0.441 3439 M N 4.539 124.090 119.600 -0.081 0.000 2.114 3439 M HA 0.571 5.051 4.480 0.000 0.000 0.332 3439 M C -1.559 174.705 176.300 -0.060 0.000 1.014 3439 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 3439 M CB 0.726 33.303 32.600 -0.040 0.000 1.551 3439 M HN 0.493 nan 8.290 nan 0.000 0.427 3440 L N 7.516 128.705 121.223 -0.058 0.000 2.257 3440 L HA 0.561 4.901 4.340 0.000 0.000 0.290 3440 L C -1.410 175.457 176.870 -0.005 0.000 1.044 3440 L CA 0.025 54.845 54.840 -0.034 0.000 0.810 3440 L CB 0.682 42.725 42.059 -0.027 0.000 1.193 3440 L HN 0.697 nan 8.230 nan 0.000 0.425 3441 I N 5.896 126.466 120.570 -0.001 0.000 2.336 3441 I HA 0.495 4.665 4.170 0.000 0.000 0.292 3441 I C 0.060 176.186 176.117 0.015 0.000 0.991 3441 I CA -0.666 60.638 61.300 0.006 0.000 1.227 3441 I CB 0.802 38.803 38.000 0.000 0.000 1.366 3441 I HN 0.551 nan 8.210 nan 0.000 0.466 3442 R N 3.961 124.472 120.500 0.019 0.000 2.902 3442 R HA 0.912 5.252 4.340 0.000 0.000 0.258 3442 R C -0.271 176.040 176.300 0.019 0.000 1.071 3442 R CA -1.063 55.050 56.100 0.022 0.000 1.024 3442 R CB 1.943 32.259 30.300 0.027 0.000 1.184 3442 R HN 0.859 nan 8.270 nan 0.000 0.492 3443 G N -1.107 107.705 108.800 0.021 0.000 2.328 3443 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 3443 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 3443 G C -0.003 174.911 174.900 0.023 0.000 1.435 3443 G CA -0.079 45.034 45.100 0.022 0.000 0.865 3443 G HN 0.390 nan 8.290 nan 0.000 0.601 3444 T N -0.813 113.757 114.554 0.025 0.000 2.995 3444 T HA 0.305 4.655 4.350 0.000 0.000 0.269 3444 T C 0.830 175.550 174.700 0.033 0.000 1.091 3444 T CA 2.312 64.428 62.100 0.026 0.000 1.128 3444 T CB -0.248 68.634 68.868 0.025 0.000 0.891 3444 T HN 0.764 nan 8.240 nan 0.000 0.492 3445 T N 0.092 114.671 114.554 0.041 0.000 2.889 3445 T HA 0.305 4.655 4.350 0.000 0.000 0.315 3445 T C 0.260 174.988 174.700 0.047 0.000 1.291 3445 T CA -0.651 61.484 62.100 0.059 0.000 1.028 3445 T CB 2.102 71.025 68.868 0.091 0.000 1.235 3445 T HN -0.020 nan 8.240 nan 0.000 0.491 3446 E N 0.942 121.156 120.200 0.023 0.000 2.049 3446 E HA -0.219 4.131 4.350 0.000 0.000 0.198 3446 E C 1.383 177.927 176.600 -0.093 0.000 1.007 3446 E CA 2.220 58.580 56.400 -0.066 0.000 0.809 3446 E CB -0.229 29.378 29.700 -0.154 0.000 0.749 3446 E HN 0.742 nan 8.360 nan 0.000 0.450 3447 H N -1.157 117.917 119.070 0.007 0.000 2.456 3447 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 3447 H C 1.989 177.321 175.328 0.006 0.000 1.079 3447 H CA 1.250 57.302 56.048 0.006 0.000 1.322 3447 H CB 0.050 29.815 29.762 0.005 0.000 1.388 3447 H HN 0.041 nan 8.280 nan 0.000 0.538 3448 V N 1.192 121.177 119.914 0.117 0.000 2.323 3448 V HA -0.197 3.923 4.120 0.000 0.000 0.244 3448 V C 2.299 178.417 176.094 0.039 0.000 1.041 3448 V CA 1.875 64.215 62.300 0.067 0.000 1.025 3448 V CB -0.439 31.416 31.823 0.053 0.000 0.656 3448 V HN 0.546 nan 8.190 nan 0.000 0.451 3449 I N -1.948 118.637 120.570 0.024 0.000 2.830 3449 I HA -0.068 4.102 4.170 0.000 0.000 0.263 3449 I C 2.077 178.194 176.117 0.001 0.000 1.230 3449 I CA 1.403 62.709 61.300 0.010 0.000 1.480 3449 I CB -0.524 37.478 38.000 0.003 0.000 1.095 3449 I HN 0.294 nan 8.210 nan 0.000 0.455 3450 E N 1.482 121.680 120.200 -0.004 0.000 2.076 3450 E HA -0.201 4.149 4.350 0.000 0.000 0.190 3450 E C 2.044 178.650 176.600 0.010 0.000 0.979 3450 E CA 1.058 57.452 56.400 -0.011 0.000 0.807 3450 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 3450 E HN 0.615 nan 8.360 nan 0.000 0.454 3451 E N 0.719 120.935 120.200 0.027 0.000 2.106 3451 E HA -0.159 4.191 4.350 0.000 0.000 0.192 3451 E C 2.060 178.672 176.600 0.020 0.000 0.984 3451 E CA 0.902 57.319 56.400 0.029 0.000 0.806 3451 E CB 0.238 29.961 29.700 0.039 0.000 0.750 3451 E HN 0.022 nan 8.360 nan 0.000 0.458 3452 V N 1.233 121.158 119.914 0.018 0.000 2.343 3452 V HA -0.250 3.870 4.120 0.000 0.000 0.247 3452 V C 2.464 178.562 176.094 0.007 0.000 1.051 3452 V CA 1.737 64.044 62.300 0.013 0.000 1.036 3452 V CB -0.732 31.098 31.823 0.012 0.000 0.654 3452 V HN 0.437 nan 8.190 nan 0.000 0.451 3453 A N -0.280 122.542 122.820 0.003 0.000 1.933 3453 A HA -0.199 4.121 4.320 0.000 0.000 0.218 3453 A C 2.358 179.942 177.584 -0.001 0.000 1.175 3453 A CA 1.477 53.512 52.037 -0.002 0.000 0.628 3453 A CB -0.416 18.580 19.000 -0.007 0.000 0.814 3453 A HN 0.384 nan 8.150 nan 0.000 0.444 3454 R N -0.544 119.958 120.500 0.004 0.000 2.090 3454 R HA 0.040 4.380 4.340 0.000 0.000 0.228 3454 R C 2.422 178.726 176.300 0.006 0.000 1.110 3454 R CA 1.279 57.382 56.100 0.005 0.000 0.973 3454 R CB -1.086 29.219 30.300 0.009 0.000 0.869 3454 R HN 0.525 nan 8.270 nan 0.000 0.440 3455 A N 0.974 123.800 122.820 0.009 0.000 1.902 3455 A HA -0.128 4.192 4.320 0.000 0.000 0.217 3455 A C 2.271 179.859 177.584 0.007 0.000 1.181 3455 A CA 1.933 53.977 52.037 0.011 0.000 0.623 3455 A CB -0.611 18.398 19.000 0.014 0.000 0.818 3455 A HN 0.211 nan 8.150 nan 0.000 0.443 3456 V N -2.402 117.514 119.914 0.003 0.000 2.719 3456 V HA -0.112 4.008 4.120 0.000 0.000 0.252 3456 V C 1.926 178.018 176.094 -0.003 0.000 1.065 3456 V CA 2.047 64.346 62.300 -0.000 0.000 1.086 3456 V CB -0.629 31.192 31.823 -0.003 0.000 0.700 3456 V HN 0.543 nan 8.190 nan 0.000 0.467 3457 D N 1.078 121.476 120.400 -0.003 0.000 2.097 3457 D HA -0.241 4.399 4.640 0.000 0.000 0.195 3457 D C 1.681 177.980 176.300 -0.002 0.000 0.989 3457 D CA 2.056 56.054 54.000 -0.004 0.000 0.827 3457 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 3457 D HN 0.509 nan 8.370 nan 0.000 0.456 3458 D N 0.337 120.737 120.400 0.001 0.000 2.144 3458 D HA -0.067 4.573 4.640 0.000 0.000 0.200 3458 D C 2.010 178.312 176.300 0.002 0.000 0.978 3458 D CA 1.131 55.132 54.000 0.003 0.000 0.833 3458 D CB -0.439 40.364 40.800 0.005 0.000 0.961 3458 D HN 0.266 nan 8.370 nan 0.000 0.470 3459 A N 0.663 123.484 122.820 0.002 0.000 1.908 3459 A HA -0.152 4.168 4.320 0.000 0.000 0.218 3459 A C 2.507 180.090 177.584 -0.001 0.000 1.181 3459 A CA 1.290 53.328 52.037 0.001 0.000 0.627 3459 A CB -0.784 18.216 19.000 0.001 0.000 0.818 3459 A HN 0.151 nan 8.150 nan 0.000 0.445 3460 V N -0.111 119.801 119.914 -0.003 0.000 2.427 3460 V HA -0.165 3.955 4.120 0.000 0.000 0.248 3460 V C 2.802 178.894 176.094 -0.004 0.000 1.051 3460 V CA 1.858 64.155 62.300 -0.005 0.000 1.048 3460 V CB -1.413 30.405 31.823 -0.008 0.000 0.666 3460 V HN 0.626 nan 8.190 nan 0.000 0.456 3461 G N 0.584 109.383 108.800 -0.003 0.000 2.446 3461 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 3461 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 3461 G C 1.701 176.600 174.900 -0.001 0.000 1.168 3461 G CA 1.631 46.730 45.100 -0.002 0.000 0.771 3461 G HN 0.601 nan 8.290 nan 0.000 0.551 3462 V N -1.537 118.377 119.914 0.000 0.000 2.719 3462 V HA 0.029 4.149 4.120 0.000 0.000 0.252 3462 V C 2.612 178.706 176.094 0.000 0.000 1.065 3462 V CA 1.212 63.513 62.300 0.001 0.000 1.086 3462 V CB -0.301 31.524 31.823 0.003 0.000 0.700 3462 V HN 0.130 nan 8.190 nan 0.000 0.467 3463 V N 2.091 122.004 119.914 -0.001 0.000 2.358 3463 V HA -0.031 4.089 4.120 0.000 0.000 0.246 3463 V C 2.918 179.010 176.094 -0.003 0.000 1.047 3463 V CA 2.246 64.545 62.300 -0.002 0.000 1.035 3463 V CB -1.332 30.489 31.823 -0.004 0.000 0.658 3463 V HN 0.613 nan 8.190 nan 0.000 0.452 3464 G N -1.264 107.534 108.800 -0.003 0.000 2.422 3464 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 3464 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 3464 G C 1.707 176.606 174.900 -0.002 0.000 1.146 3464 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 3464 G HN 0.536 nan 8.290 nan 0.000 0.547 3465 C N 0.248 119.547 119.300 -0.001 0.000 2.440 3465 C HA 0.024 4.484 4.460 0.000 0.000 0.278 3465 C C 3.147 178.137 174.990 -0.000 0.000 1.295 3465 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 3465 C CB -0.809 26.932 27.740 0.001 0.000 1.987 3465 C HN 0.405 nan 8.230 nan 0.000 0.492 3466 T N 0.708 115.262 114.554 -0.001 0.000 3.043 3466 T HA 0.113 4.463 4.350 0.000 0.000 0.263 3466 T C 1.567 176.266 174.700 -0.001 0.000 1.094 3466 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 3466 T CB -0.122 68.746 68.868 -0.001 0.000 0.905 3466 T HN 0.468 nan 8.240 nan 0.000 0.490 3467 I N 0.762 121.331 120.570 -0.002 0.000 2.333 3467 I HA -0.048 4.122 4.170 0.000 0.000 0.246 3467 I C 2.454 178.570 176.117 -0.002 0.000 1.106 3467 I CA 1.210 62.509 61.300 -0.002 0.000 1.411 3467 I CB -0.116 37.882 38.000 -0.003 0.000 1.082 3467 I HN 0.254 nan 8.210 nan 0.000 0.420 3468 E N 0.064 120.262 120.200 -0.002 0.000 2.122 3468 E HA -0.056 4.294 4.350 0.000 0.000 0.190 3468 E C -0.073 176.526 176.600 -0.001 0.000 0.977 3468 E CA 0.660 57.058 56.400 -0.002 0.000 0.820 3468 E CB 0.268 29.967 29.700 -0.002 0.000 0.770 3468 E HN 0.347 nan 8.360 nan 0.000 0.462 3469 D N 0.164 120.563 120.400 -0.001 0.000 2.446 3469 D HA 0.128 4.768 4.640 0.000 0.000 0.251 3469 D C -0.086 176.213 176.300 -0.000 0.000 1.137 3469 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 3469 D CB 1.437 42.237 40.800 0.000 0.000 1.071 3469 D HN 0.092 nan 8.370 nan 0.000 0.528 3470 G N 2.258 111.057 108.800 -0.001 0.000 3.340 3470 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 3470 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 3470 G C 0.614 175.514 174.900 -0.000 0.000 1.327 3470 G CA -0.146 44.953 45.100 -0.001 0.000 1.170 3470 G HN 0.080 nan 8.290 nan 0.000 0.520 3471 R N 0.353 120.853 120.500 0.000 0.000 2.494 3471 R HA 0.569 4.909 4.340 0.000 0.000 0.305 3471 R C -0.100 176.201 176.300 0.002 0.000 0.959 3471 R CA -0.643 55.458 56.100 0.001 0.000 0.864 3471 R CB 1.754 32.055 30.300 0.001 0.000 1.159 3471 R HN 0.388 nan 8.270 nan 0.000 0.446 3472 I N -1.267 119.305 120.570 0.003 0.000 3.002 3472 I HA 0.809 4.979 4.170 0.000 0.000 0.310 3472 I C -0.184 175.937 176.117 0.007 0.000 1.087 3472 I CA -1.301 60.002 61.300 0.005 0.000 1.017 3472 I CB 2.445 40.448 38.000 0.004 0.000 1.226 3472 I HN 0.301 nan 8.210 nan 0.000 0.443 3473 V N -0.300 119.620 119.914 0.010 0.000 3.078 3473 V HA 0.673 4.793 4.120 0.000 0.000 0.311 3473 V C 0.093 176.198 176.094 0.018 0.000 1.138 3473 V CA -0.582 61.727 62.300 0.015 0.000 1.007 3473 V CB 1.177 33.011 31.823 0.017 0.000 1.045 3473 V HN 1.026 nan 8.190 nan 0.000 0.432 3474 S N 1.507 117.222 115.700 0.024 0.000 2.562 3474 S HA 0.647 5.117 4.470 0.000 0.000 0.281 3474 S C 0.559 175.179 174.600 0.034 0.000 1.333 3474 S CA 0.170 58.388 58.200 0.029 0.000 1.052 3474 S CB 0.845 64.066 63.200 0.035 0.000 0.884 3474 S HN 1.792 nan 8.310 nan 0.000 0.506 3475 G N 0.369 109.190 108.800 0.035 0.000 2.630 3475 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 3475 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 3475 G C 0.913 175.839 174.900 0.043 0.000 1.434 3475 G CA -0.551 44.572 45.100 0.037 0.000 1.057 3475 G HN 2.030 nan 8.290 nan 0.000 0.570 3476 G N -1.995 106.832 108.800 0.045 0.000 2.179 3476 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 3476 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 3476 G C 1.467 176.382 174.900 0.025 0.000 1.010 3476 G CA 1.177 46.303 45.100 0.044 0.000 0.736 3476 G HN 2.472 nan 8.290 nan 0.000 0.513 3477 G N -1.359 107.449 108.800 0.012 0.000 2.162 3477 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 3477 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 3477 G C 1.467 176.358 174.900 -0.015 0.000 0.976 3477 G CA 1.687 46.781 45.100 -0.011 0.000 0.655 3477 G HN 1.952 nan 8.290 nan 0.000 0.533 3478 S N 0.034 115.752 115.700 0.029 0.000 2.370 3478 S HA -0.164 4.306 4.470 0.000 0.000 0.226 3478 S C 2.796 177.428 174.600 0.053 0.000 1.033 3478 S CA 2.765 61.015 58.200 0.083 0.000 1.011 3478 S CB -0.554 62.731 63.200 0.142 0.000 0.852 3478 S HN 1.321 nan 8.310 nan 0.000 0.457 3479 T N 0.108 114.682 114.554 0.033 0.000 2.595 3479 T HA -0.091 4.259 4.350 0.000 0.000 0.264 3479 T C 1.605 176.293 174.700 -0.021 0.000 1.058 3479 T CA 1.598 63.711 62.100 0.022 0.000 1.166 3479 T CB -1.022 67.855 68.868 0.014 0.000 0.863 3479 T HN 0.349 nan 8.240 nan 0.000 0.415 3480 E N 0.898 121.073 120.200 -0.042 0.000 2.171 3480 E HA -0.069 4.281 4.350 0.000 0.000 0.197 3480 E C 2.275 178.811 176.600 -0.107 0.000 0.997 3480 E CA 0.849 57.208 56.400 -0.068 0.000 0.810 3480 E CB -0.827 28.827 29.700 -0.076 0.000 0.738 3480 E HN 0.437 nan 8.360 nan 0.000 0.467 3481 V N 0.407 120.218 119.914 -0.172 0.000 2.379 3481 V HA -0.216 3.904 4.120 0.000 0.000 0.245 3481 V C 2.279 178.148 176.094 -0.375 0.000 1.044 3481 V CA 1.839 63.951 62.300 -0.314 0.000 1.036 3481 V CB -0.427 31.102 31.823 -0.491 0.000 0.664 3481 V HN 0.223 nan 8.190 nan 0.000 0.453 3482 E N 0.428 120.438 120.200 -0.315 0.000 2.085 3482 E HA -0.225 4.125 4.350 0.000 0.000 0.194 3482 E C 1.878 178.487 176.600 0.016 0.000 0.994 3482 E CA 1.473 57.876 56.400 0.005 0.000 0.801 3482 E CB -0.337 29.474 29.700 0.186 0.000 0.743 3482 E HN 0.364 nan 8.360 nan 0.000 0.453 3483 L N 0.581 121.799 121.223 -0.008 0.000 2.056 3483 L HA -0.108 4.232 4.340 0.000 0.000 0.207 3483 L C 2.555 179.444 176.870 0.032 0.000 1.078 3483 L CA 2.020 56.872 54.840 0.021 0.000 0.749 3483 L CB -1.154 40.922 42.059 0.030 0.000 0.901 3483 L HN 0.311 nan 8.230 nan 0.000 0.433 3484 S N -1.907 113.789 115.700 -0.007 0.000 2.423 3484 S HA -0.165 4.305 4.470 0.000 0.000 0.231 3484 S C 1.954 176.566 174.600 0.021 0.000 1.014 3484 S CA 0.839 59.042 58.200 0.005 0.000 0.965 3484 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 3484 S HN 0.253 nan 8.310 nan 0.000 0.495 3485 M N 1.538 121.142 119.600 0.007 0.000 2.064 3485 M HA 0.065 4.545 4.480 0.000 0.000 0.260 3485 M C 2.180 178.518 176.300 0.065 0.000 1.073 3485 M CA 1.410 56.734 55.300 0.039 0.000 1.124 3485 M CB -0.935 31.703 32.600 0.062 0.000 1.326 3485 M HN 0.257 nan 8.290 nan 0.000 0.410 3486 K N 0.615 121.056 120.400 0.067 0.000 2.155 3486 K HA 0.065 4.385 4.320 0.000 0.000 0.203 3486 K C 2.023 178.688 176.600 0.108 0.000 1.052 3486 K CA 0.870 57.202 56.287 0.075 0.000 0.948 3486 K CB -0.482 32.048 32.500 0.050 0.000 0.728 3486 K HN 0.389 nan 8.250 nan 0.000 0.448 3487 L N 0.149 121.439 121.223 0.110 0.000 2.313 3487 L HA -0.030 4.310 4.340 0.000 0.000 0.214 3487 L C 2.384 179.376 176.870 0.203 0.000 1.119 3487 L CA 0.645 55.593 54.840 0.180 0.000 0.809 3487 L CB -0.184 41.981 42.059 0.177 0.000 0.933 3487 L HN 0.097 nan 8.230 nan 0.000 0.449 3488 R N 0.106 120.686 120.500 0.134 0.000 2.090 3488 R HA -0.124 4.216 4.340 0.000 0.000 0.228 3488 R C 2.052 178.407 176.300 0.092 0.000 1.110 3488 R CA 1.166 57.327 56.100 0.102 0.000 0.973 3488 R CB -0.076 30.266 30.300 0.070 0.000 0.869 3488 R HN 0.421 nan 8.270 nan 0.000 0.440 3489 E N -0.467 119.795 120.200 0.103 0.000 2.107 3489 E HA -0.194 4.156 4.350 0.000 0.000 0.191 3489 E C 1.548 178.214 176.600 0.110 0.000 0.982 3489 E CA 0.798 57.252 56.400 0.089 0.000 0.809 3489 E CB -0.087 29.664 29.700 0.085 0.000 0.756 3489 E HN 0.298 nan 8.360 nan 0.000 0.459 3490 Y N 1.584 121.898 120.300 0.023 0.000 2.224 3490 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 3490 Y C 2.181 178.091 175.900 0.017 0.000 1.146 3490 Y CA 1.289 59.399 58.100 0.017 0.000 1.182 3490 Y CB -0.424 38.044 38.460 0.014 0.000 0.983 3490 Y HN -0.011 nan 8.280 nan 0.000 0.524 3491 A N 0.379 123.192 122.820 -0.012 0.000 1.883 3491 A HA -0.187 4.133 4.320 0.000 0.000 0.217 3491 A C 2.131 179.657 177.584 -0.096 0.000 1.186 3491 A CA 1.911 53.905 52.037 -0.073 0.000 0.624 3491 A CB -0.635 18.388 19.000 0.039 0.000 0.822 3491 A HN 0.517 nan 8.150 nan 0.000 0.444 3492 E N -0.469 119.705 120.200 -0.044 0.000 2.110 3492 E HA -0.139 4.211 4.350 0.000 0.000 0.193 3492 E C 2.163 178.724 176.600 -0.066 0.000 0.988 3492 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 3492 E CB -0.692 29.005 29.700 -0.006 0.000 0.745 3492 E HN 0.599 nan 8.360 nan 0.000 0.458 3493 G N 1.476 110.219 108.800 -0.094 0.000 2.402 3493 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 3493 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 3493 G C 1.607 176.412 174.900 -0.157 0.000 1.162 3493 G CA 0.339 45.375 45.100 -0.106 0.000 0.777 3493 G HN 0.116 nan 8.290 nan 0.000 0.539 3494 I N 0.339 120.751 120.570 -0.263 0.000 2.202 3494 I HA -0.011 4.160 4.170 0.000 0.000 0.242 3494 I C 1.706 177.742 176.117 -0.135 0.000 1.091 3494 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 3494 I CB -1.168 36.620 38.000 -0.354 0.000 1.058 3494 I HN 0.324 nan 8.210 nan 0.000 0.410 3495 S N -1.228 114.406 115.700 -0.110 0.000 3.513 3495 S HA -0.104 4.366 4.470 0.000 0.000 0.636 3495 S C 0.714 175.281 174.600 -0.055 0.000 2.452 3495 S CA 1.397 59.558 58.200 -0.065 0.000 2.644 3495 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 3495 S HN 1.474 nan 8.310 nan 0.000 1.787 3496 G N 0.746 109.523 108.800 -0.037 0.000 2.575 3496 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 3496 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 3496 G C 0.089 174.976 174.900 -0.023 0.000 1.264 3496 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 3496 G HN 1.197 nan 8.290 nan 0.000 0.568 3497 R N 0.564 121.052 120.500 -0.019 0.000 2.240 3497 R HA 0.249 4.589 4.340 0.000 0.000 0.203 3497 R C 2.411 178.703 176.300 -0.013 0.000 1.011 3497 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 3497 R CB -0.312 29.983 30.300 -0.008 0.000 0.911 3497 R HN 0.620 nan 8.270 nan 0.000 0.468 3498 E N 0.399 120.584 120.200 -0.024 0.000 2.153 3498 E HA -0.182 4.168 4.350 0.000 0.000 0.194 3498 E C 1.704 178.293 176.600 -0.017 0.000 0.988 3498 E CA 0.841 57.226 56.400 -0.025 0.000 0.811 3498 E CB -0.089 29.585 29.700 -0.043 0.000 0.746 3498 E HN 0.191 nan 8.360 nan 0.000 0.466 3499 Q N 0.574 120.357 119.800 -0.029 0.000 2.170 3499 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 3499 Q C 1.988 178.003 176.000 0.024 0.000 0.976 3499 Q CA 1.092 56.883 55.803 -0.019 0.000 0.858 3499 Q CB -0.061 28.659 28.738 -0.030 0.000 0.907 3499 Q HN 0.385 nan 8.270 nan 0.000 0.433 3500 L N 0.039 121.276 121.223 0.024 0.000 2.056 3500 L HA -0.124 4.217 4.340 0.000 0.000 0.207 3500 L C 2.627 179.546 176.870 0.083 0.000 1.078 3500 L CA 1.145 56.011 54.840 0.043 0.000 0.749 3500 L CB -0.682 41.392 42.059 0.025 0.000 0.901 3500 L HN 0.155 nan 8.230 nan 0.000 0.433 3501 A N -0.388 122.476 122.820 0.073 0.000 1.898 3501 A HA -0.105 4.215 4.320 0.000 0.000 0.216 3501 A C 2.316 180.079 177.584 0.298 0.000 1.181 3501 A CA 1.448 53.558 52.037 0.122 0.000 0.620 3501 A CB -0.708 18.279 19.000 -0.022 0.000 0.819 3501 A HN 0.179 nan 8.150 nan 0.000 0.442 3502 V N 0.022 120.057 119.914 0.202 0.000 2.427 3502 V HA -0.202 3.918 4.120 0.000 0.000 0.248 3502 V C 2.651 178.895 176.094 0.249 0.000 1.051 3502 V CA 2.245 64.684 62.300 0.233 0.000 1.048 3502 V CB -0.786 31.123 31.823 0.144 0.000 0.666 3502 V HN 0.615 nan 8.190 nan 0.000 0.456 3503 R N 1.175 121.779 120.500 0.173 0.000 2.081 3503 R HA -0.079 4.261 4.340 0.000 0.000 0.235 3503 R C 2.146 178.537 176.300 0.151 0.000 1.131 3503 R CA 1.894 58.077 56.100 0.138 0.000 0.960 3503 R CB -0.930 29.422 30.300 0.088 0.000 0.856 3503 R HN 0.439 nan 8.270 nan 0.000 0.436 3504 A N -0.470 122.465 122.820 0.192 0.000 1.902 3504 A HA -0.126 4.195 4.320 0.000 0.000 0.217 3504 A C 2.177 179.859 177.584 0.163 0.000 1.181 3504 A CA 1.364 53.515 52.037 0.190 0.000 0.623 3504 A CB -0.850 18.309 19.000 0.264 0.000 0.818 3504 A HN 0.485 nan 8.150 nan 0.000 0.443 3505 F N 0.932 120.931 119.950 0.081 0.000 2.075 3505 F HA -0.091 4.436 4.527 0.000 0.000 0.297 3505 F C 2.558 178.310 175.800 -0.080 0.000 1.113 3505 F CA 1.494 59.414 58.000 -0.135 0.000 1.218 3505 F CB -0.345 38.594 39.000 -0.102 0.000 0.984 3505 F HN 0.250 nan 8.300 nan 0.000 0.472 3506 A N -0.142 122.818 122.820 0.233 0.000 1.940 3506 A HA -0.212 4.108 4.320 0.000 0.000 0.219 3506 A C 1.878 179.453 177.584 -0.014 0.000 1.176 3506 A CA 2.109 54.222 52.037 0.126 0.000 0.631 3506 A CB -0.952 18.143 19.000 0.158 0.000 0.814 3506 A HN 0.472 nan 8.150 nan 0.000 0.446 3507 D N -0.198 120.196 120.400 -0.010 0.000 2.183 3507 D HA 0.068 4.708 4.640 0.000 0.000 0.203 3507 D C 2.170 178.414 176.300 -0.093 0.000 0.969 3507 D CA 1.221 55.199 54.000 -0.036 0.000 0.842 3507 D CB -0.390 40.407 40.800 -0.004 0.000 0.957 3507 D HN 0.414 nan 8.370 nan 0.000 0.484 3508 A N 0.733 123.459 122.820 -0.156 0.000 1.972 3508 A HA -0.119 4.201 4.320 0.000 0.000 0.219 3508 A C 2.241 179.682 177.584 -0.239 0.000 1.169 3508 A CA 0.794 52.701 52.037 -0.216 0.000 0.635 3508 A CB -0.730 18.070 19.000 -0.333 0.000 0.810 3508 A HN 0.235 nan 8.150 nan 0.000 0.446 3509 L N -0.418 120.644 121.223 -0.269 0.000 2.265 3509 L HA -0.122 4.218 4.340 0.000 0.000 0.215 3509 L C 1.963 178.748 176.870 -0.142 0.000 1.117 3509 L CA 0.737 55.443 54.840 -0.223 0.000 0.782 3509 L CB -0.468 41.469 42.059 -0.203 0.000 0.914 3509 L HN 0.316 nan 8.230 nan 0.000 0.441 3510 E N -0.228 119.902 120.200 -0.117 0.000 2.478 3510 E HA -0.115 4.235 4.350 0.000 0.000 0.198 3510 E C 2.180 178.733 176.600 -0.079 0.000 1.046 3510 E CA 0.516 56.864 56.400 -0.088 0.000 0.870 3510 E CB -0.078 29.580 29.700 -0.070 0.000 0.818 3510 E HN 0.294 nan 8.360 nan 0.000 0.527 3511 V N 0.979 120.840 119.914 -0.090 0.000 2.594 3511 V HA -0.204 3.916 4.120 0.000 0.000 0.253 3511 V C 1.819 177.872 176.094 -0.068 0.000 1.069 3511 V CA 0.958 63.212 62.300 -0.076 0.000 1.082 3511 V CB -0.190 31.582 31.823 -0.084 0.000 0.680 3511 V HN 0.132 nan 8.190 nan 0.000 0.469 3512 I N 0.549 121.075 120.570 -0.073 0.000 2.235 3512 I HA -0.017 4.153 4.170 0.000 0.000 0.241 3512 I C 0.197 176.283 176.117 -0.052 0.000 1.085 3512 I CA 1.367 62.630 61.300 -0.062 0.000 1.378 3512 I CB -2.823 35.139 38.000 -0.064 0.000 1.076 3512 I HN 0.319 nan 8.210 nan 0.000 0.415 3513 P HA -0.170 nan 4.420 nan 0.000 0.216 3513 P C 1.850 179.124 177.300 -0.042 0.000 1.150 3513 P CA 1.573 64.646 63.100 -0.045 0.000 0.843 3513 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 3514 R N -0.226 120.246 120.500 -0.046 0.000 2.073 3514 R HA -0.108 4.232 4.340 0.000 0.000 0.234 3514 R C 1.954 178.229 176.300 -0.041 0.000 1.134 3514 R CA 2.337 58.412 56.100 -0.042 0.000 0.952 3514 R CB -0.850 29.424 30.300 -0.043 0.000 0.850 3514 R HN 0.242 nan 8.270 nan 0.000 0.433 3515 T N -0.944 113.584 114.554 -0.044 0.000 3.043 3515 T HA -0.055 4.295 4.350 0.000 0.000 0.263 3515 T C 1.779 176.451 174.700 -0.046 0.000 1.094 3515 T CA 0.546 62.620 62.100 -0.044 0.000 1.127 3515 T CB -0.097 68.744 68.868 -0.044 0.000 0.905 3515 T HN 0.174 nan 8.240 nan 0.000 0.490 3516 L N 1.875 123.070 121.223 -0.047 0.000 2.027 3516 L HA 0.277 4.617 4.340 0.000 0.000 0.206 3516 L C 2.771 179.607 176.870 -0.056 0.000 1.074 3516 L CA 1.891 56.699 54.840 -0.052 0.000 0.745 3516 L CB -1.168 40.864 42.059 -0.046 0.000 0.898 3516 L HN 0.314 nan 8.230 nan 0.000 0.433 3517 A N -1.096 121.696 122.820 -0.046 0.000 1.929 3517 A HA -0.190 4.130 4.320 0.000 0.000 0.216 3517 A C 2.297 179.856 177.584 -0.043 0.000 1.176 3517 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 3517 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 3517 A HN 0.595 nan 8.150 nan 0.000 0.444 3518 E N 0.159 120.336 120.200 -0.040 0.000 2.038 3518 E HA -0.250 4.100 4.350 0.000 0.000 0.195 3518 E C 1.584 178.160 176.600 -0.040 0.000 1.000 3518 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 3518 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 3518 E HN 0.537 nan 8.360 nan 0.000 0.448 3519 N N 0.206 118.878 118.700 -0.046 0.000 2.309 3519 N HA -0.092 4.648 4.740 0.000 0.000 0.182 3519 N C 1.413 176.887 175.510 -0.060 0.000 1.018 3519 N CA 1.107 54.127 53.050 -0.050 0.000 0.876 3519 N CB -0.295 38.161 38.487 -0.053 0.000 0.972 3519 N HN 0.234 nan 8.380 nan 0.000 0.434 3520 A N 0.029 122.808 122.820 -0.069 0.000 2.119 3520 A HA 0.266 4.586 4.320 0.000 0.000 0.217 3520 A C 1.532 179.080 177.584 -0.061 0.000 1.153 3520 A CA 1.150 53.137 52.037 -0.082 0.000 0.692 3520 A CB -0.512 18.432 19.000 -0.094 0.000 0.799 3520 A HN 0.335 nan 8.150 nan 0.000 0.458 3521 G N -1.599 107.173 108.800 -0.047 0.000 2.137 3521 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 3521 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 3521 G C -0.021 174.861 174.900 -0.030 0.000 1.002 3521 G CA 0.351 45.430 45.100 -0.036 0.000 0.702 3521 G HN 0.459 nan 8.290 nan 0.000 0.515 3522 L N 0.073 121.277 121.223 -0.032 0.000 2.352 3522 L HA 0.478 4.818 4.340 0.000 0.000 0.269 3522 L C 0.476 177.333 176.870 -0.022 0.000 1.034 3522 L CA -1.109 53.715 54.840 -0.026 0.000 0.806 3522 L CB 0.964 43.006 42.059 -0.028 0.000 1.244 3522 L HN 0.090 nan 8.230 nan 0.000 0.447 3523 D N 1.111 121.501 120.400 -0.017 0.000 2.363 3523 D HA 0.060 4.700 4.640 0.000 0.000 0.263 3523 D C 0.785 177.075 176.300 -0.016 0.000 1.258 3523 D CA 0.222 54.213 54.000 -0.015 0.000 0.907 3523 D CB 1.715 42.509 40.800 -0.011 0.000 1.107 3523 D HN 0.649 nan 8.370 nan 0.000 0.495 3524 A N 5.419 128.228 122.820 -0.019 0.000 1.917 3524 A HA -0.205 4.115 4.320 0.000 0.000 0.219 3524 A C 2.107 179.680 177.584 -0.018 0.000 1.182 3524 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 3524 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 3524 A HN 0.704 nan 8.150 nan 0.000 0.448 3525 I N -0.329 120.232 120.570 -0.014 0.000 2.193 3525 I HA -0.105 4.065 4.170 0.000 0.000 0.240 3525 I C 2.378 178.490 176.117 -0.009 0.000 1.084 3525 I CA 1.135 62.428 61.300 -0.011 0.000 1.365 3525 I CB -1.614 36.381 38.000 -0.009 0.000 1.064 3525 I HN 0.310 nan 8.210 nan 0.000 0.410 3526 E N 0.717 120.912 120.200 -0.007 0.000 2.110 3526 E HA -0.145 4.205 4.350 0.000 0.000 0.193 3526 E C 2.303 178.902 176.600 -0.003 0.000 0.988 3526 E CA 0.916 57.314 56.400 -0.004 0.000 0.804 3526 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 3526 E HN 0.347 nan 8.360 nan 0.000 0.458 3527 I N 0.605 121.172 120.570 -0.006 0.000 2.163 3527 I HA -0.225 3.945 4.170 0.000 0.000 0.240 3527 I C 2.326 178.440 176.117 -0.005 0.000 1.081 3527 I CA 0.779 62.076 61.300 -0.005 0.000 1.353 3527 I CB -0.956 37.038 38.000 -0.011 0.000 1.054 3527 I HN 0.119 nan 8.210 nan 0.000 0.407 3528 L N 0.109 121.326 121.223 -0.010 0.000 2.083 3528 L HA -0.151 4.189 4.340 0.000 0.000 0.209 3528 L C 2.548 179.414 176.870 -0.007 0.000 1.083 3528 L CA 1.313 56.145 54.840 -0.014 0.000 0.752 3528 L CB -0.982 41.065 42.059 -0.020 0.000 0.899 3528 L HN 0.001 nan 8.230 nan 0.000 0.433 3529 V N -1.228 118.684 119.914 -0.003 0.000 2.323 3529 V HA -0.223 3.898 4.120 0.000 0.000 0.244 3529 V C 2.504 178.604 176.094 0.010 0.000 1.041 3529 V CA 1.318 63.620 62.300 0.003 0.000 1.025 3529 V CB -0.381 31.444 31.823 0.003 0.000 0.656 3529 V HN 0.285 nan 8.190 nan 0.000 0.451 3530 K N -0.081 120.325 120.400 0.010 0.000 2.148 3530 K HA -0.050 4.270 4.320 0.000 0.000 0.204 3530 K C 1.887 178.503 176.600 0.026 0.000 1.050 3530 K CA 0.953 57.250 56.287 0.016 0.000 0.942 3530 K CB -0.529 31.978 32.500 0.013 0.000 0.724 3530 K HN 0.305 nan 8.250 nan 0.000 0.446 3531 V N 0.550 120.479 119.914 0.025 0.000 2.323 3531 V HA -0.169 3.951 4.120 0.000 0.000 0.244 3531 V C 2.139 178.271 176.094 0.063 0.000 1.041 3531 V CA 1.536 63.860 62.300 0.040 0.000 1.025 3531 V CB -0.305 31.532 31.823 0.023 0.000 0.656 3531 V HN 0.244 nan 8.190 nan 0.000 0.451 3532 R N 0.090 120.611 120.500 0.035 0.000 2.096 3532 R HA -0.103 4.237 4.340 0.000 0.000 0.235 3532 R C 2.418 178.764 176.300 0.077 0.000 1.127 3532 R CA 1.423 57.547 56.100 0.040 0.000 0.968 3532 R CB -0.546 29.755 30.300 0.001 0.000 0.861 3532 R HN 0.535 nan 8.270 nan 0.000 0.440 3533 A N 1.249 124.100 122.820 0.052 0.000 1.877 3533 A HA -0.100 4.220 4.320 0.000 0.000 0.216 3533 A C 2.364 179.979 177.584 0.053 0.000 1.186 3533 A CA 1.673 53.738 52.037 0.046 0.000 0.620 3533 A CB -0.586 18.431 19.000 0.029 0.000 0.822 3533 A HN 0.387 nan 8.150 nan 0.000 0.443 3534 A N -1.204 121.650 122.820 0.056 0.000 1.930 3534 A HA -0.143 4.177 4.320 0.000 0.000 0.217 3534 A C 1.991 179.607 177.584 0.053 0.000 1.175 3534 A CA 2.009 54.074 52.037 0.046 0.000 0.627 3534 A CB -0.832 18.194 19.000 0.044 0.000 0.815 3534 A HN 0.773 nan 8.150 nan 0.000 0.443 3535 H N -0.248 118.826 119.070 0.006 0.000 2.321 3535 H HA 0.045 4.601 4.556 0.000 0.000 0.300 3535 H C 2.206 177.539 175.328 0.008 0.000 1.087 3535 H CA 1.976 58.028 56.048 0.007 0.000 1.319 3535 H CB -0.135 29.631 29.762 0.006 0.000 1.379 3535 H HN 0.400 nan 8.280 nan 0.000 0.501 3536 A N -0.785 122.123 122.820 0.147 0.000 1.930 3536 A HA -0.142 4.178 4.320 0.000 0.000 0.217 3536 A C 2.529 180.124 177.584 0.019 0.000 1.175 3536 A CA 1.755 53.846 52.037 0.090 0.000 0.627 3536 A CB -0.907 18.148 19.000 0.091 0.000 0.815 3536 A HN 0.497 nan 8.150 nan 0.000 0.443 3537 S N -0.414 115.293 115.700 0.011 0.000 2.341 3537 S HA -0.088 4.382 4.470 0.000 0.000 0.216 3537 S C 1.857 176.442 174.600 -0.025 0.000 1.034 3537 S CA 1.255 59.453 58.200 -0.002 0.000 0.964 3537 S CB -0.348 62.855 63.200 0.006 0.000 0.882 3537 S HN 0.609 nan 8.310 nan 0.000 0.469 3538 N N 0.736 119.413 118.700 -0.039 0.000 2.368 3538 N HA 0.291 5.031 4.740 0.000 0.000 0.176 3538 N C 1.011 176.463 175.510 -0.097 0.000 1.021 3538 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 3538 N CB 0.228 38.691 38.487 -0.039 0.000 0.995 3538 N HN 0.599 nan 8.380 nan 0.000 0.437 3539 G N 0.761 109.451 108.800 -0.183 0.000 2.373 3539 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 3539 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 3539 G C -0.198 174.412 174.900 -0.483 0.000 1.267 3539 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 3539 G HN 0.320 nan 8.290 nan 0.000 0.497 3540 N N -0.715 117.734 118.700 -0.418 0.000 2.412 3540 N HA 0.121 4.861 4.740 0.000 0.000 0.184 3540 N C 1.272 176.748 175.510 -0.057 0.000 1.101 3540 N CA 1.040 53.949 53.050 -0.236 0.000 0.881 3540 N CB 0.327 38.807 38.487 -0.011 0.000 0.969 3540 N HN 0.368 nan 8.380 nan 0.000 0.459 3541 K N -0.287 120.070 120.400 -0.072 0.000 2.358 3541 K HA 0.286 4.606 4.320 0.000 0.000 0.200 3541 K C -0.421 176.160 176.600 -0.031 0.000 1.030 3541 K CA -0.008 56.260 56.287 -0.032 0.000 1.097 3541 K CB 0.310 32.794 32.500 -0.027 0.000 0.862 3541 K HN 0.203 nan 8.250 nan 0.000 0.534 3542 C N 1.185 120.455 119.300 -0.051 0.000 3.206 3542 C HA 0.724 5.184 4.460 0.000 0.000 0.206 3542 C C 0.501 175.477 174.990 -0.024 0.000 1.836 3542 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 3542 C CB -0.604 27.108 27.740 -0.047 0.000 2.405 3542 C HN 0.424 nan 8.230 nan 0.000 0.516 3543 A N 0.058 122.882 122.820 0.007 0.000 3.963 3543 A HA 0.966 5.286 4.320 0.000 0.000 0.283 3543 A C 0.048 177.675 177.584 0.071 0.000 1.085 3543 A CA 0.332 52.400 52.037 0.053 0.000 0.591 3543 A CB -0.171 18.887 19.000 0.095 0.000 1.632 3543 A HN 2.013 nan 8.150 nan 0.000 0.761 3544 G N -2.004 106.856 108.800 0.100 0.000 2.787 3544 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 3544 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 3544 G C -0.699 174.233 174.900 0.054 0.000 1.437 3544 G CA -0.016 45.128 45.100 0.073 0.000 0.872 3544 G HN 2.092 nan 8.290 nan 0.000 0.566 3545 L N 1.032 122.280 121.223 0.042 0.000 2.276 3545 L HA 0.600 4.940 4.340 0.000 0.000 0.286 3545 L C 0.592 177.495 176.870 0.054 0.000 1.061 3545 L CA -0.667 54.194 54.840 0.034 0.000 0.807 3545 L CB 1.271 43.337 42.059 0.011 0.000 1.177 3545 L HN 0.698 nan 8.230 nan 0.000 0.429 3546 N N 4.233 122.973 118.700 0.066 0.000 2.699 3546 N HA 0.109 4.849 4.740 0.000 0.000 0.232 3546 N C 0.924 176.484 175.510 0.082 0.000 1.027 3546 N CA -0.128 52.994 53.050 0.119 0.000 0.920 3546 N CB 1.137 39.702 38.487 0.128 0.000 1.148 3546 N HN 0.703 nan 8.380 nan 0.000 0.509 3547 V N 1.620 121.538 119.914 0.007 0.000 2.913 3547 V HA -0.075 4.045 4.120 0.000 0.000 0.260 3547 V C 1.514 177.524 176.094 -0.140 0.000 1.098 3547 V CA 1.013 63.248 62.300 -0.110 0.000 1.121 3547 V CB -1.132 30.560 31.823 -0.220 0.000 0.714 3547 V HN 0.408 nan 8.190 nan 0.000 0.487 3548 F N 2.697 122.646 119.950 -0.001 0.000 2.134 3548 F HA -0.097 4.430 4.527 0.000 0.000 0.299 3548 F C 2.772 178.571 175.800 -0.001 0.000 1.097 3548 F CA 2.154 60.153 58.000 -0.001 0.000 1.264 3548 F CB -0.654 38.346 39.000 -0.001 0.000 1.001 3548 F HN 0.385 nan 8.300 nan 0.000 0.479 3549 T N -3.698 110.964 114.554 0.181 0.000 3.044 3549 T HA 0.373 4.723 4.350 0.000 0.000 0.250 3549 T C 1.496 176.227 174.700 0.051 0.000 1.081 3549 T CA 0.417 62.573 62.100 0.095 0.000 1.040 3549 T CB 0.181 69.095 68.868 0.077 0.000 0.962 3549 T HN 0.427 nan 8.240 nan 0.000 0.506 3550 G N 0.959 109.781 108.800 0.037 0.000 2.248 3550 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 3550 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 3550 G C 0.054 174.961 174.900 0.012 0.000 1.082 3550 G CA -0.227 44.877 45.100 0.007 0.000 0.863 3550 G HN 1.396 nan 8.290 nan 0.000 0.495 3551 A N -1.637 121.197 122.820 0.023 0.000 2.612 3551 A HA 0.891 5.211 4.320 0.000 0.000 0.293 3551 A C 0.040 177.641 177.584 0.029 0.000 1.075 3551 A CA 0.121 52.171 52.037 0.022 0.000 0.680 3551 A CB 1.531 20.544 19.000 0.023 0.000 1.279 3551 A HN 1.805 nan 8.150 nan 0.000 0.411 3552 V N 1.674 121.602 119.914 0.025 0.000 2.673 3552 V HA 0.434 4.554 4.120 0.000 0.000 0.303 3552 V C -0.043 176.071 176.094 0.032 0.000 1.046 3552 V CA 0.954 63.272 62.300 0.030 0.000 1.126 3552 V CB 0.457 32.298 31.823 0.029 0.000 0.934 3552 V HN 0.918 nan 8.190 nan 0.000 0.487 3553 E N 3.865 124.088 120.200 0.038 0.000 2.390 3553 E HA 0.383 4.733 4.350 0.000 0.000 0.242 3553 E C -1.478 175.140 176.600 0.031 0.000 0.907 3553 E CA -0.668 55.752 56.400 0.033 0.000 0.884 3553 E CB 0.845 30.569 29.700 0.040 0.000 1.788 3553 E HN 0.720 nan 8.360 nan 0.000 0.427 3554 D N 1.313 121.727 120.400 0.024 0.000 2.460 3554 D HA 0.186 4.826 4.640 0.000 0.000 0.232 3554 D C 0.799 177.111 176.300 0.020 0.000 1.079 3554 D CA -0.279 53.731 54.000 0.017 0.000 0.864 3554 D CB 0.677 41.480 40.800 0.006 0.000 1.048 3554 D HN 0.186 nan 8.370 nan 0.000 0.523 3555 M N 1.829 121.446 119.600 0.029 0.000 2.132 3555 M HA -0.120 4.360 4.480 0.000 0.000 0.263 3555 M C 2.339 178.649 176.300 0.017 0.000 1.065 3555 M CA 0.697 56.016 55.300 0.031 0.000 1.122 3555 M CB -1.200 31.425 32.600 0.043 0.000 1.365 3555 M HN 0.554 nan 8.290 nan 0.000 0.411 3556 C N 0.765 120.073 119.300 0.013 0.000 2.436 3556 C HA -0.186 4.274 4.460 0.000 0.000 0.277 3556 C C 2.686 177.675 174.990 -0.001 0.000 1.241 3556 C CA 1.690 60.711 59.018 0.005 0.000 1.721 3556 C CB -0.863 26.878 27.740 0.001 0.000 2.043 3556 C HN 0.582 nan 8.230 nan 0.000 0.472 3557 E N 1.068 121.267 120.200 -0.002 0.000 2.150 3557 E HA -0.108 4.242 4.350 0.000 0.000 0.193 3557 E C 1.658 178.253 176.600 -0.009 0.000 0.985 3557 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 3557 E CB -0.467 29.229 29.700 -0.005 0.000 0.752 3557 E HN 0.645 nan 8.360 nan 0.000 0.466 3558 N N -0.228 118.468 118.700 -0.007 0.000 2.521 3558 N HA 0.035 4.775 4.740 0.000 0.000 0.188 3558 N C 0.661 176.155 175.510 -0.026 0.000 1.146 3558 N CA 0.963 54.002 53.050 -0.017 0.000 0.893 3558 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 3558 N HN 0.306 nan 8.380 nan 0.000 0.451 3559 G N -0.134 108.655 108.800 -0.018 0.000 2.153 3559 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 3559 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 3559 G C -0.089 174.801 174.900 -0.017 0.000 0.994 3559 G CA 0.200 45.288 45.100 -0.019 0.000 0.698 3559 G HN 0.202 nan 8.290 nan 0.000 0.521 3560 V N 1.440 121.351 119.914 -0.006 0.000 2.267 3560 V HA 0.515 4.635 4.120 0.000 0.000 0.254 3560 V C 0.750 176.853 176.094 0.016 0.000 1.144 3560 V CA 0.077 62.382 62.300 0.008 0.000 0.992 3560 V CB 0.550 32.391 31.823 0.029 0.000 1.199 3560 V HN 1.035 nan 8.190 nan 0.000 0.493 3561 V N 1.795 121.716 119.914 0.011 0.000 3.007 3561 V HA 0.911 5.031 4.120 0.000 0.000 0.311 3561 V C -0.697 175.404 176.094 0.012 0.000 1.120 3561 V CA -0.743 61.565 62.300 0.012 0.000 0.980 3561 V CB 2.509 34.336 31.823 0.007 0.000 1.033 3561 V HN 0.688 nan 8.190 nan 0.000 0.429 3562 E N 1.720 121.928 120.200 0.012 0.000 2.393 3562 E HA 0.646 4.996 4.350 0.000 0.000 0.273 3562 E C -3.273 173.332 176.600 0.008 0.000 0.918 3562 E CA -2.368 54.038 56.400 0.011 0.000 0.773 3562 E CB 2.051 31.759 29.700 0.013 0.000 1.275 3562 E HN 0.457 nan 8.360 nan 0.000 0.451 3563 P HA -0.020 nan 4.420 nan 0.000 0.266 3563 P C 0.804 178.107 177.300 0.005 0.000 1.195 3563 P CA -0.258 62.845 63.100 0.005 0.000 0.768 3563 P CB 0.452 32.154 31.700 0.003 0.000 0.838 3564 L N 4.440 125.666 121.223 0.005 0.000 2.046 3564 L HA -0.134 4.206 4.340 0.000 0.000 0.208 3564 L C 2.401 179.274 176.870 0.005 0.000 1.077 3564 L CA 1.790 56.633 54.840 0.005 0.000 0.747 3564 L CB -0.848 41.214 42.059 0.004 0.000 0.896 3564 L HN 0.294 nan 8.230 nan 0.000 0.432 3565 R N -0.970 119.532 120.500 0.004 0.000 2.117 3565 R HA -0.177 4.163 4.340 0.000 0.000 0.243 3565 R C 2.025 178.327 176.300 0.004 0.000 1.143 3565 R CA 1.989 58.091 56.100 0.003 0.000 0.968 3565 R CB -0.399 29.903 30.300 0.003 0.000 0.863 3565 R HN 0.378 nan 8.270 nan 0.000 0.444 3566 V N 1.286 121.202 119.914 0.004 0.000 2.332 3566 V HA -0.254 3.866 4.120 0.000 0.000 0.248 3566 V C 2.285 178.380 176.094 0.002 0.000 1.055 3566 V CA 1.850 64.152 62.300 0.003 0.000 1.038 3566 V CB -0.347 31.478 31.823 0.003 0.000 0.651 3566 V HN 0.309 nan 8.190 nan 0.000 0.450 3567 K N 0.233 120.635 120.400 0.003 0.000 2.186 3567 K HA -0.035 4.285 4.320 0.000 0.000 0.202 3567 K C 2.262 178.866 176.600 0.007 0.000 1.052 3567 K CA 1.653 57.942 56.287 0.003 0.000 0.965 3567 K CB -0.674 31.828 32.500 0.005 0.000 0.746 3567 K HN 0.718 nan 8.250 nan 0.000 0.457 3568 T N -1.214 113.344 114.554 0.008 0.000 2.978 3568 T HA -0.082 4.268 4.350 0.000 0.000 0.262 3568 T C 2.016 176.723 174.700 0.012 0.000 1.063 3568 T CA 0.696 62.803 62.100 0.010 0.000 1.140 3568 T CB 0.038 68.910 68.868 0.007 0.000 0.886 3568 T HN -0.047 nan 8.240 nan 0.000 0.470 3569 Q N 1.825 121.631 119.800 0.009 0.000 2.123 3569 Q HA 0.261 4.602 4.340 0.000 0.000 0.199 3569 Q C 2.408 178.415 176.000 0.011 0.000 0.966 3569 Q CA 1.606 57.415 55.803 0.009 0.000 0.845 3569 Q CB -0.924 27.818 28.738 0.006 0.000 0.907 3569 Q HN 0.623 nan 8.270 nan 0.000 0.439 3570 A N 0.573 123.397 122.820 0.007 0.000 1.883 3570 A HA -0.174 4.146 4.320 0.000 0.000 0.217 3570 A C 1.952 179.543 177.584 0.011 0.000 1.186 3570 A CA 1.588 53.627 52.037 0.002 0.000 0.624 3570 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 3570 A HN 0.451 nan 8.150 nan 0.000 0.444 3571 I N -0.135 120.451 120.570 0.025 0.000 2.179 3571 I HA -0.263 3.907 4.170 0.000 0.000 0.242 3571 I C 2.660 178.819 176.117 0.069 0.000 1.088 3571 I CA 1.659 62.997 61.300 0.063 0.000 1.357 3571 I CB -1.633 36.413 38.000 0.077 0.000 1.051 3571 I HN 0.493 nan 8.210 nan 0.000 0.409 3572 Q N 0.202 120.028 119.800 0.043 0.000 1.993 3572 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 3572 Q C 2.464 178.488 176.000 0.040 0.000 0.984 3572 Q CA 2.203 58.028 55.803 0.037 0.000 0.837 3572 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 3572 Q HN 0.376 nan 8.270 nan 0.000 0.423 3573 S N 0.504 116.222 115.700 0.030 0.000 2.383 3573 S HA -0.131 4.340 4.470 0.000 0.000 0.227 3573 S C 1.986 176.604 174.600 0.031 0.000 1.026 3573 S CA 0.928 59.144 58.200 0.027 0.000 0.981 3573 S CB -0.263 62.947 63.200 0.017 0.000 0.818 3573 S HN 0.477 nan 8.310 nan 0.000 0.472 3574 A N 1.630 124.467 122.820 0.028 0.000 1.873 3574 A HA 0.155 4.475 4.320 0.000 0.000 0.215 3574 A C 2.363 179.978 177.584 0.051 0.000 1.186 3574 A CA 1.648 53.698 52.037 0.022 0.000 0.616 3574 A CB -1.135 17.861 19.000 -0.007 0.000 0.823 3574 A HN 0.505 nan 8.150 nan 0.000 0.442 3575 A N -0.528 122.345 122.820 0.090 0.000 1.898 3575 A HA -0.119 4.201 4.320 0.000 0.000 0.216 3575 A C 1.943 179.602 177.584 0.125 0.000 1.181 3575 A CA 1.674 53.801 52.037 0.150 0.000 0.620 3575 A CB -0.369 18.747 19.000 0.195 0.000 0.819 3575 A HN 0.453 nan 8.150 nan 0.000 0.442 3576 E N 0.134 120.385 120.200 0.085 0.000 2.107 3576 E HA -0.055 4.295 4.350 0.000 0.000 0.191 3576 E C 2.242 178.881 176.600 0.065 0.000 0.982 3576 E CA 1.241 57.683 56.400 0.070 0.000 0.809 3576 E CB -0.421 29.308 29.700 0.049 0.000 0.756 3576 E HN 0.538 nan 8.360 nan 0.000 0.459 3577 S N 0.426 116.161 115.700 0.057 0.000 2.406 3577 S HA -0.055 4.415 4.470 0.000 0.000 0.228 3577 S C 2.039 176.674 174.600 0.060 0.000 1.020 3577 S CA 1.067 59.296 58.200 0.049 0.000 0.965 3577 S CB -0.108 63.113 63.200 0.036 0.000 0.798 3577 S HN 0.255 nan 8.310 nan 0.000 0.488 3578 T N 1.847 116.448 114.554 0.078 0.000 2.777 3578 T HA -0.085 4.265 4.350 0.000 0.000 0.266 3578 T C 1.847 176.624 174.700 0.128 0.000 1.040 3578 T CA 1.045 63.206 62.100 0.103 0.000 1.141 3578 T CB -0.252 68.694 68.868 0.130 0.000 0.868 3578 T HN 0.356 nan 8.240 nan 0.000 0.444 3579 E N 0.965 121.248 120.200 0.138 0.000 2.110 3579 E HA -0.155 4.195 4.350 0.000 0.000 0.193 3579 E C 2.167 178.812 176.600 0.074 0.000 0.988 3579 E CA 0.870 57.339 56.400 0.115 0.000 0.804 3579 E CB -0.268 29.496 29.700 0.107 0.000 0.745 3579 E HN 0.331 nan 8.360 nan 0.000 0.458 3580 M N 0.936 120.575 119.600 0.065 0.000 2.067 3580 M HA -0.163 4.317 4.480 0.000 0.000 0.260 3580 M C 2.495 178.824 176.300 0.049 0.000 1.069 3580 M CA 1.144 56.475 55.300 0.051 0.000 1.117 3580 M CB -0.861 31.766 32.600 0.046 0.000 1.334 3580 M HN 0.276 nan 8.290 nan 0.000 0.407 3581 L N 0.675 121.929 121.223 0.052 0.000 2.013 3581 L HA -0.264 4.076 4.340 0.000 0.000 0.212 3581 L C 2.284 179.180 176.870 0.043 0.000 1.073 3581 L CA 1.460 56.328 54.840 0.048 0.000 0.753 3581 L CB -0.393 41.692 42.059 0.044 0.000 0.890 3581 L HN 0.355 nan 8.230 nan 0.000 0.432 3582 L N -0.642 120.610 121.223 0.049 0.000 2.201 3582 L HA -0.191 4.149 4.340 0.000 0.000 0.212 3582 L C 2.720 179.603 176.870 0.021 0.000 1.105 3582 L CA 0.914 55.773 54.840 0.033 0.000 0.775 3582 L CB -0.523 41.561 42.059 0.042 0.000 0.913 3582 L HN 0.315 nan 8.230 nan 0.000 0.440 3583 R N 0.190 120.708 120.500 0.031 0.000 2.193 3583 R HA -0.017 4.323 4.340 0.000 0.000 0.213 3583 R C 0.628 176.945 176.300 0.028 0.000 1.055 3583 R CA 0.276 56.394 56.100 0.029 0.000 0.995 3583 R CB 0.305 30.626 30.300 0.034 0.000 0.893 3583 R HN 0.104 nan 8.270 nan 0.000 0.459 3584 I N 3.086 123.675 120.570 0.033 0.000 2.471 3584 I HA -0.022 4.148 4.170 0.000 0.000 0.286 3584 I C 0.188 176.326 176.117 0.035 0.000 1.079 3584 I CA 0.309 61.631 61.300 0.037 0.000 1.398 3584 I CB 1.123 39.151 38.000 0.047 0.000 1.403 3584 I HN 0.219 nan 8.210 nan 0.000 0.530 3585 D N 2.694 123.115 120.400 0.034 0.000 2.540 3585 D HA 0.152 4.792 4.640 0.000 0.000 0.229 3585 D C -0.207 176.119 176.300 0.045 0.000 1.250 3585 D CA -0.137 53.882 54.000 0.033 0.000 0.817 3585 D CB 0.461 41.272 40.800 0.018 0.000 1.060 3585 D HN 0.360 nan 8.370 nan 0.000 0.508 3586 D N 0.209 120.639 120.400 0.050 0.000 2.738 3586 D HA 0.265 4.905 4.640 0.000 0.000 0.218 3586 D C -1.648 174.685 176.300 0.054 0.000 1.345 3586 D CA -0.440 53.591 54.000 0.051 0.000 0.943 3586 D CB 1.997 42.815 40.800 0.031 0.000 1.514 3586 D HN -0.163 nan 8.370 nan 0.000 0.585 3587 V N 4.354 124.313 119.914 0.075 0.000 2.444 3587 V HA 0.554 4.674 4.120 0.000 0.000 0.294 3587 V C -0.134 175.975 176.094 0.025 0.000 1.022 3587 V CA -0.666 61.673 62.300 0.065 0.000 0.850 3587 V CB 1.544 33.432 31.823 0.108 0.000 0.992 3587 V HN 0.416 nan 8.190 nan 0.000 0.426 3588 I N 4.219 124.786 120.570 -0.005 0.000 2.382 3588 I HA 0.681 4.851 4.170 0.000 0.000 0.285 3588 I C 0.368 176.461 176.117 -0.040 0.000 1.007 3588 I CA -0.248 61.030 61.300 -0.037 0.000 1.142 3588 I CB 1.834 39.816 38.000 -0.031 0.000 1.289 3588 I HN 0.645 nan 8.210 nan 0.000 0.453 3589 A N 5.395 128.179 122.820 -0.061 0.000 2.394 3589 A HA 0.862 5.182 4.320 0.000 0.000 0.333 3589 A C 0.342 177.896 177.584 -0.049 0.000 1.397 3589 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 3589 A CB 0.223 19.183 19.000 -0.067 0.000 1.147 3589 A HN 0.752 nan 8.150 nan 0.000 0.505 3590 A N 2.009 124.808 122.820 -0.035 0.000 2.425 3590 A HA 0.501 4.821 4.320 0.000 0.000 0.242 3590 A C 0.584 178.155 177.584 -0.022 0.000 1.077 3590 A CA -0.067 51.952 52.037 -0.029 0.000 0.781 3590 A CB 0.115 19.103 19.000 -0.021 0.000 1.020 3590 A HN 0.860 nan 8.150 nan 0.000 0.494 3591 E N 0.000 120.188 120.200 -0.020 0.000 2.725 3591 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3591 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 3591 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 3591 E HN 0.000 nan 8.360 nan 0.000 0.440