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 1pj3_1_D DATA FIRST_RESID 3021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 3021 I HA 0.000 nan 4.170 nan 0.000 0.288 3021 I C 0.000 176.132 176.117 0.025 0.000 1.063 3021 I CA 0.000 61.322 61.300 0.037 0.000 1.566 3021 I CB 0.000 38.030 38.000 0.049 0.000 1.214 3022 K N 2.405 122.815 120.400 0.018 0.000 2.569 3022 K HA 0.171 4.477 4.320 -0.023 0.000 0.193 3022 K C 0.221 176.823 176.600 0.002 0.000 1.026 3022 K CA 0.324 56.617 56.287 0.009 0.000 1.093 3022 K CB -0.014 32.491 32.500 0.008 0.000 0.849 3022 K HN 0.592 nan 8.250 nan 0.000 0.509 3023 E N 0.805 121.007 120.200 0.003 0.000 2.343 3023 E HA 0.319 4.655 4.350 -0.023 0.000 0.270 3023 E C -1.246 175.347 176.600 -0.012 0.000 0.895 3023 E CA -0.736 55.660 56.400 -0.006 0.000 0.767 3023 E CB 1.311 31.008 29.700 -0.006 0.000 1.248 3023 E HN 0.046 nan 8.360 nan 0.000 0.440 3024 K N 1.310 121.693 120.400 -0.028 0.000 2.495 3024 K HA 0.854 5.160 4.320 -0.023 0.000 0.268 3024 K C 0.084 176.646 176.600 -0.064 0.000 1.008 3024 K CA -0.502 55.757 56.287 -0.048 0.000 0.882 3024 K CB 1.491 33.963 32.500 -0.047 0.000 1.443 3024 K HN 0.778 nan 8.250 nan 0.000 0.447 3025 G N 1.467 110.209 108.800 -0.096 0.000 2.632 3025 G HA2 -0.315 3.631 3.960 -0.023 0.000 0.224 3025 G HA3 -0.315 3.631 3.960 -0.023 0.000 0.224 3025 G C 0.358 175.196 174.900 -0.104 0.000 1.341 3025 G CA 0.418 45.458 45.100 -0.099 0.000 0.880 3025 G HN 0.860 nan 8.290 nan 0.000 0.566 3026 K N 0.978 121.328 120.400 -0.082 0.000 2.107 3026 K HA -0.093 4.213 4.320 -0.023 0.000 0.211 3026 K C 0.200 176.772 176.600 -0.047 0.000 1.049 3026 K CA 2.924 59.172 56.287 -0.066 0.000 0.927 3026 K CB -1.282 31.189 32.500 -0.047 0.000 0.714 3026 K HN 0.333 nan 8.250 nan 0.000 0.452 3027 P HA -0.146 nan 4.420 nan 0.000 0.217 3027 P C 0.131 177.428 177.300 -0.006 0.000 1.148 3027 P CA 0.950 64.036 63.100 -0.023 0.000 0.828 3027 P CB 0.023 31.708 31.700 -0.024 0.000 0.783 3031 N N 3.000 121.709 118.700 0.015 0.000 2.420 3031 N HA 0.217 4.943 4.740 -0.023 0.000 0.249 3031 N C -1.732 173.791 175.510 0.022 0.000 1.033 3031 N CA -1.755 51.296 53.050 0.003 0.000 0.944 3031 N CB 1.827 40.317 38.487 0.004 0.000 1.113 3031 N HN -0.041 nan 8.380 nan 0.000 0.502 3032 P HA -0.142 nan 4.420 nan 0.000 0.219 3032 P C 1.090 178.415 177.300 0.041 0.000 1.146 3032 P CA 0.813 63.916 63.100 0.005 0.000 0.808 3032 P CB 0.610 32.281 31.700 -0.048 0.000 0.779 3033 R N 0.584 121.105 120.500 0.035 0.000 2.096 3033 R HA -0.082 4.244 4.340 -0.023 0.000 0.235 3033 R C 2.225 178.592 176.300 0.111 0.000 1.127 3033 R CA 2.405 58.547 56.100 0.069 0.000 0.968 3033 R CB -1.270 29.049 30.300 0.033 0.000 0.861 3033 R HN 0.311 nan 8.270 nan 0.000 0.440 3034 T N -3.386 111.228 114.554 0.101 0.000 2.990 3034 T HA 0.139 4.475 4.350 -0.023 0.000 0.250 3034 T C 0.563 175.336 174.700 0.123 0.000 1.041 3034 T CA -0.308 61.868 62.100 0.127 0.000 1.010 3034 T CB -0.256 68.700 68.868 0.147 0.000 1.003 3034 T HN 0.031 nan 8.240 nan 0.000 0.499 3035 N N 2.014 120.788 118.700 0.123 0.000 2.447 3035 N HA 0.096 4.822 4.740 -0.023 0.000 0.263 3035 N C 0.529 175.949 175.510 -0.150 0.000 1.226 3035 N CA 0.274 53.391 53.050 0.112 0.000 0.906 3035 N CB 0.621 39.181 38.487 0.123 0.000 1.060 3035 N HN 0.329 nan 8.380 nan 0.000 0.468 3036 K N 2.169 122.167 120.400 -0.670 0.000 2.374 3036 K HA 0.232 4.538 4.320 -0.023 0.000 0.202 3036 K C 0.760 177.081 176.600 -0.465 0.000 1.040 3036 K CA 0.118 55.850 56.287 -0.925 0.000 1.085 3036 K CB 0.306 31.702 32.500 -1.840 0.000 0.873 3036 K HN 0.795 nan 8.250 nan 0.000 0.539 3040 F N 3.219 123.047 119.950 -0.204 0.000 2.578 3040 F HA 0.304 4.817 4.527 -0.023 0.000 0.381 3040 F C 1.778 177.519 175.800 -0.098 0.000 1.069 3040 F CA 1.413 59.319 58.000 -0.157 0.000 1.231 3040 F CB 0.847 39.780 39.000 -0.112 0.000 1.086 3040 F HN 0.312 nan 8.300 nan 0.000 0.564 3041 T N 1.685 116.303 114.554 0.107 0.000 2.748 3041 T HA 0.058 4.394 4.350 -0.023 0.000 0.304 3041 T C 1.056 175.790 174.700 0.057 0.000 1.041 3041 T CA -0.873 61.262 62.100 0.058 0.000 1.033 3041 T CB 0.863 69.753 68.868 0.037 0.000 0.995 3041 T HN 0.587 nan 8.240 nan 0.000 0.536 3042 L N 0.683 121.925 121.223 0.031 0.000 2.046 3042 L HA -0.059 4.267 4.340 -0.023 0.000 0.208 3042 L C 2.871 179.746 176.870 0.008 0.000 1.077 3042 L CA 1.751 56.601 54.840 0.016 0.000 0.747 3042 L CB -1.017 41.048 42.059 0.010 0.000 0.896 3042 L HN 0.806 nan 8.230 nan 0.000 0.432 3043 Q N -0.688 119.120 119.800 0.013 0.000 2.119 3043 Q HA -0.209 4.117 4.340 -0.023 0.000 0.201 3043 Q C 2.079 178.083 176.000 0.006 0.000 0.972 3043 Q CA 1.817 57.624 55.803 0.007 0.000 0.847 3043 Q CB -0.064 28.681 28.738 0.012 0.000 0.903 3043 Q HN 0.670 nan 8.270 nan 0.000 0.433 3044 E N 0.308 120.524 120.200 0.028 0.000 2.072 3044 E HA -0.160 4.177 4.350 -0.023 0.000 0.191 3044 E C 2.058 178.635 176.600 -0.038 0.000 0.985 3044 E CA 0.682 57.102 56.400 0.034 0.000 0.801 3044 E CB 0.014 29.795 29.700 0.135 0.000 0.750 3044 E HN 0.251 nan 8.360 nan 0.000 0.452 3045 R N 1.055 121.525 120.500 -0.049 0.000 2.073 3045 R HA -0.084 4.242 4.340 -0.023 0.000 0.234 3045 R C 1.356 177.600 176.300 -0.094 0.000 1.134 3045 R CA 0.898 56.927 56.100 -0.119 0.000 0.952 3045 R CB -0.273 29.981 30.300 -0.077 0.000 0.850 3045 R HN 0.249 nan 8.270 nan 0.000 0.433 3049 G N 1.329 110.066 108.800 -0.105 0.000 2.225 3049 G HA2 -0.267 3.679 3.960 -0.023 0.000 0.264 3049 G HA3 -0.267 3.679 3.960 -0.023 0.000 0.264 3049 G C 0.376 175.199 174.900 -0.130 0.000 1.060 3049 G CA 0.666 45.706 45.100 -0.100 0.000 0.833 3049 G HN 0.329 nan 8.290 nan 0.000 0.498 3050 L N -1.201 119.921 121.223 -0.167 0.000 2.701 3050 L HA 0.282 4.609 4.340 -0.023 0.000 0.238 3050 L C 1.408 178.195 176.870 -0.138 0.000 1.106 3050 L CA -0.189 54.529 54.840 -0.204 0.000 0.898 3050 L CB 0.183 42.016 42.059 -0.378 0.000 1.188 3050 L HN 0.301 nan 8.230 nan 0.000 0.508 3051 Q N 1.297 121.035 119.800 -0.104 0.000 2.269 3051 Q HA 0.224 4.550 4.340 -0.023 0.000 0.300 3051 Q C 1.121 177.087 176.000 -0.056 0.000 1.070 3051 Q CA 1.513 57.276 55.803 -0.068 0.000 0.957 3051 Q CB 0.455 29.162 28.738 -0.053 0.000 1.131 3051 Q HN 0.384 nan 8.270 nan 0.000 0.377 3052 G N 3.101 111.875 108.800 -0.043 0.000 2.284 3052 G HA2 -0.269 3.677 3.960 -0.023 0.000 0.230 3052 G HA3 -0.269 3.677 3.960 -0.023 0.000 0.230 3052 G C 0.541 175.421 174.900 -0.034 0.000 1.021 3052 G CA 0.240 45.320 45.100 -0.034 0.000 0.619 3052 G HN 0.574 nan 8.290 nan 0.000 0.510 3053 L N 0.354 121.547 121.223 -0.049 0.000 2.492 3053 L HA 0.439 4.765 4.340 -0.023 0.000 0.223 3053 L C 1.028 177.880 176.870 -0.031 0.000 1.132 3053 L CA 0.464 55.277 54.840 -0.046 0.000 0.850 3053 L CB -0.059 41.957 42.059 -0.071 0.000 0.966 3053 L HN 0.214 nan 8.230 nan 0.000 0.454 3054 L N -1.074 120.134 121.223 -0.025 0.000 2.323 3054 L HA 0.484 4.810 4.340 -0.023 0.000 0.265 3054 L C -2.234 174.640 176.870 0.006 0.000 1.012 3054 L CA -1.974 52.867 54.840 0.002 0.000 0.820 3054 L CB 1.521 43.592 42.059 0.020 0.000 1.334 3054 L HN -0.258 nan 8.230 nan 0.000 0.427 3055 P HA 0.117 nan 4.420 nan 0.000 0.269 3055 P C -2.150 175.159 177.300 0.014 0.000 1.215 3055 P CA -0.863 62.245 63.100 0.014 0.000 0.780 3055 P CB 0.070 31.782 31.700 0.020 0.000 0.898 3056 P HA -0.121 nan 4.420 nan 0.000 0.223 3056 P C 0.101 177.410 177.300 0.014 0.000 1.144 3056 P CA 1.135 64.240 63.100 0.009 0.000 0.783 3056 P CB 0.086 31.790 31.700 0.006 0.000 0.771 3057 K N 0.797 121.208 120.400 0.019 0.000 2.350 3057 K HA 0.188 4.494 4.320 -0.023 0.000 0.279 3057 K C -0.554 176.062 176.600 0.027 0.000 1.027 3057 K CA 0.032 56.332 56.287 0.022 0.000 0.969 3057 K CB -0.195 32.320 32.500 0.024 0.000 0.954 3057 K HN -0.202 nan 8.250 nan 0.000 0.474 3058 I N 4.197 124.782 120.570 0.025 0.000 2.339 3058 I HA 0.250 4.406 4.170 -0.023 0.000 0.290 3058 I C -0.027 176.105 176.117 0.026 0.000 0.994 3058 I CA -0.044 61.272 61.300 0.026 0.000 1.191 3058 I CB 1.499 39.513 38.000 0.023 0.000 1.343 3058 I HN 0.670 nan 8.210 nan 0.000 0.458 3059 E N 3.393 123.609 120.200 0.026 0.000 2.249 3059 E HA 0.653 4.989 4.350 -0.023 0.000 0.263 3059 E C -0.401 176.224 176.600 0.042 0.000 0.950 3059 E CA -0.860 55.561 56.400 0.035 0.000 0.827 3059 E CB 1.710 31.437 29.700 0.044 0.000 1.220 3059 E HN 0.607 nan 8.360 nan 0.000 0.411 3060 T N -2.304 112.286 114.554 0.060 0.000 2.936 3060 T HA 0.118 4.454 4.350 -0.023 0.000 0.282 3060 T C 0.910 175.683 174.700 0.121 0.000 1.003 3060 T CA -0.709 61.441 62.100 0.083 0.000 1.005 3060 T CB 1.712 70.615 68.868 0.058 0.000 1.097 3060 T HN 0.502 nan 8.240 nan 0.000 0.532 3061 Q N -0.211 119.682 119.800 0.155 0.000 2.167 3061 Q HA -0.159 4.167 4.340 -0.023 0.000 0.202 3061 Q C 1.178 177.203 176.000 0.041 0.000 0.970 3061 Q CA 1.585 57.452 55.803 0.106 0.000 0.855 3061 Q CB -0.167 28.519 28.738 -0.085 0.000 0.911 3061 Q HN 0.709 nan 8.270 nan 0.000 0.438 3062 D N 0.416 120.839 120.400 0.039 0.000 2.123 3062 D HA -0.177 4.449 4.640 -0.023 0.000 0.196 3062 D C 1.748 178.086 176.300 0.064 0.000 0.992 3062 D CA 1.128 55.154 54.000 0.043 0.000 0.833 3062 D CB -0.164 40.657 40.800 0.036 0.000 0.954 3062 D HN 0.345 nan 8.370 nan 0.000 0.455 3063 I N 0.580 121.188 120.570 0.064 0.000 2.226 3063 I HA -0.276 3.880 4.170 -0.023 0.000 0.245 3063 I C 2.420 178.584 176.117 0.079 0.000 1.100 3063 I CA 1.048 62.389 61.300 0.068 0.000 1.374 3063 I CB -0.198 37.837 38.000 0.059 0.000 1.057 3063 I HN -0.002 nan 8.210 nan 0.000 0.413 3064 Q N 0.531 120.378 119.800 0.078 0.000 2.084 3064 Q HA -0.192 4.134 4.340 -0.023 0.000 0.202 3064 Q C 2.472 178.516 176.000 0.073 0.000 0.978 3064 Q CA 1.763 57.613 55.803 0.078 0.000 0.844 3064 Q CB -0.302 28.485 28.738 0.081 0.000 0.898 3064 Q HN 0.585 nan 8.270 nan 0.000 0.426 3065 A N 0.961 123.813 122.820 0.054 0.000 1.902 3065 A HA -0.169 4.137 4.320 -0.023 0.000 0.217 3065 A C 2.015 179.692 177.584 0.156 0.000 1.181 3065 A CA 0.940 53.006 52.037 0.049 0.000 0.623 3065 A CB -0.697 18.350 19.000 0.079 0.000 0.818 3065 A HN 0.391 nan 8.150 nan 0.000 0.443 3066 L N -0.772 120.557 121.223 0.176 0.000 2.046 3066 L HA -0.193 4.133 4.340 -0.023 0.000 0.208 3066 L C 2.803 179.765 176.870 0.154 0.000 1.077 3066 L CA 1.950 56.905 54.840 0.192 0.000 0.747 3066 L CB -0.374 41.759 42.059 0.124 0.000 0.896 3066 L HN 0.556 nan 8.230 nan 0.000 0.432 3067 R N -0.627 119.950 120.500 0.128 0.000 2.091 3067 R HA -0.276 4.050 4.340 -0.023 0.000 0.238 3067 R C 2.352 178.740 176.300 0.146 0.000 1.136 3067 R CA 2.159 58.331 56.100 0.119 0.000 0.959 3067 R CB -0.577 29.793 30.300 0.117 0.000 0.856 3067 R HN 0.342 nan 8.270 nan 0.000 0.437 3068 F N 0.946 120.896 119.950 -0.000 0.000 2.075 3068 F HA -0.190 4.324 4.527 -0.023 0.000 0.297 3068 F C 1.851 177.650 175.800 -0.001 0.000 1.113 3068 F CA 2.210 60.195 58.000 -0.026 0.000 1.218 3068 F CB -0.531 38.308 39.000 -0.268 0.000 0.984 3068 F HN 0.151 nan 8.300 nan 0.000 0.472 3069 H N -0.968 118.100 119.070 -0.003 0.000 2.421 3069 H HA -0.097 4.445 4.556 -0.023 0.000 0.298 3069 H C 2.224 177.475 175.328 -0.128 0.000 1.087 3069 H CA 1.286 57.255 56.048 -0.131 0.000 1.330 3069 H CB -0.098 29.696 29.762 0.053 0.000 1.388 3069 H HN 0.067 nan 8.280 nan 0.000 0.526 3070 R N 0.616 121.143 120.500 0.045 0.000 2.073 3070 R HA -0.071 4.255 4.340 -0.023 0.000 0.234 3070 R C 1.944 178.214 176.300 -0.049 0.000 1.134 3070 R CA 1.239 57.346 56.100 0.011 0.000 0.952 3070 R CB -0.215 30.103 30.300 0.029 0.000 0.850 3070 R HN 0.360 nan 8.270 nan 0.000 0.433 3071 N N 0.107 118.760 118.700 -0.077 0.000 2.142 3071 N HA -0.146 4.580 4.740 -0.023 0.000 0.186 3071 N C 1.616 177.006 175.510 -0.199 0.000 1.023 3071 N CA 0.883 53.847 53.050 -0.144 0.000 0.852 3071 N CB -0.312 38.079 38.487 -0.160 0.000 0.998 3071 N HN 0.092 nan 8.380 nan 0.000 0.424 3072 L N 1.878 122.955 121.223 -0.243 0.000 2.079 3072 L HA -0.149 4.177 4.340 -0.023 0.000 0.210 3072 L C 2.196 178.999 176.870 -0.112 0.000 1.081 3072 L CA 1.666 56.374 54.840 -0.220 0.000 0.752 3072 L CB -0.502 41.282 42.059 -0.458 0.000 0.896 3072 L HN -0.045 nan 8.230 nan 0.000 0.433 3073 K N 0.203 120.551 120.400 -0.087 0.000 2.074 3073 K HA -0.165 4.141 4.320 -0.023 0.000 0.209 3073 K C 0.868 177.442 176.600 -0.042 0.000 1.048 3073 K CA 1.384 57.646 56.287 -0.042 0.000 0.926 3073 K CB -0.125 32.361 32.500 -0.024 0.000 0.713 3073 K HN 0.280 nan 8.250 nan 0.000 0.444 3077 S N 2.501 118.212 115.700 0.019 0.000 2.646 3077 S HA 0.644 5.100 4.470 -0.023 0.000 0.276 3077 S C -2.100 172.530 174.600 0.050 0.000 1.222 3077 S CA -1.077 57.140 58.200 0.029 0.000 1.014 3077 S CB 1.611 64.824 63.200 0.023 0.000 0.991 3077 S HN 0.084 nan 8.310 nan 0.000 0.533 3078 P HA -0.005 nan 4.420 nan 0.000 0.217 3078 P C 1.533 178.902 177.300 0.115 0.000 1.151 3078 P CA 0.261 63.409 63.100 0.080 0.000 0.828 3078 P CB 0.025 31.758 31.700 0.055 0.000 0.788 3079 L N 0.281 121.550 121.223 0.076 0.000 2.093 3079 L HA -0.113 4.213 4.340 -0.023 0.000 0.208 3079 L C 2.227 179.192 176.870 0.159 0.000 1.085 3079 L CA 1.849 56.744 54.840 0.091 0.000 0.755 3079 L CB -1.204 40.863 42.059 0.014 0.000 0.904 3079 L HN -0.054 nan 8.230 nan 0.000 0.435 3080 E N -0.455 119.810 120.200 0.109 0.000 2.077 3080 E HA -0.268 4.068 4.350 -0.023 0.000 0.193 3080 E C 2.054 178.750 176.600 0.160 0.000 0.989 3080 E CA 1.378 57.839 56.400 0.101 0.000 0.800 3080 E CB 0.009 29.736 29.700 0.044 0.000 0.746 3080 E HN 0.533 nan 8.360 nan 0.000 0.452 3081 K N -0.373 120.133 120.400 0.177 0.000 2.057 3081 K HA -0.187 4.119 4.320 -0.023 0.000 0.206 3081 K C 2.161 178.931 176.600 0.284 0.000 1.050 3081 K CA 1.435 57.867 56.287 0.240 0.000 0.935 3081 K CB -0.412 32.202 32.500 0.190 0.000 0.715 3081 K HN 0.237 nan 8.250 nan 0.000 0.439 3082 Y N 1.907 122.289 120.300 0.138 0.000 2.097 3082 Y HA -0.244 4.292 4.550 -0.024 0.000 0.282 3082 Y C 1.898 177.871 175.900 0.121 0.000 1.152 3082 Y CA 1.513 59.688 58.100 0.126 0.000 1.136 3082 Y CB -0.204 38.314 38.460 0.097 0.000 0.975 3082 Y HN -0.069 nan 8.280 nan 0.000 0.498 3083 I N -0.772 119.968 120.570 0.282 0.000 2.264 3083 I HA -0.333 3.823 4.170 -0.023 0.000 0.248 3083 I C 2.158 178.337 176.117 0.104 0.000 1.111 3083 I CA 1.579 62.965 61.300 0.144 0.000 1.382 3083 I CB -0.576 37.520 38.000 0.160 0.000 1.060 3083 I HN 0.346 nan 8.210 nan 0.000 0.418 3084 Y N 2.240 122.556 120.300 0.027 0.000 2.092 3084 Y HA -0.105 4.431 4.550 -0.023 0.000 0.282 3084 Y C 1.570 177.515 175.900 0.076 0.000 1.126 3084 Y CA 0.454 58.584 58.100 0.050 0.000 1.111 3084 Y CB -0.656 37.851 38.460 0.079 0.000 0.987 3084 Y HN 0.125 nan 8.280 nan 0.000 0.489 3088 I N 1.469 121.917 120.570 -0.203 0.000 2.361 3088 I HA -0.164 3.992 4.170 -0.023 0.000 0.251 3088 I C 2.622 178.575 176.117 -0.273 0.000 1.133 3088 I CA 1.706 62.897 61.300 -0.182 0.000 1.413 3088 I CB -0.038 37.855 38.000 -0.179 0.000 1.073 3088 I HN 0.285 nan 8.210 nan 0.000 0.424 3089 Q N 1.029 120.460 119.800 -0.616 0.000 2.226 3089 Q HA -0.202 4.124 4.340 -0.023 0.000 0.204 3089 Q C 1.397 177.128 176.000 -0.448 0.000 0.975 3089 Q CA 1.220 56.457 55.803 -0.943 0.000 0.866 3089 Q CB 0.218 27.971 28.738 -1.642 0.000 0.915 3089 Q HN 0.446 nan 8.270 nan 0.000 0.440 3090 E N -0.443 119.563 120.200 -0.324 0.000 2.479 3090 E HA 0.048 4.384 4.350 -0.023 0.000 0.193 3090 E C 1.040 177.563 176.600 -0.129 0.000 1.049 3090 E CA 0.149 56.428 56.400 -0.202 0.000 0.870 3090 E CB 0.469 30.055 29.700 -0.190 0.000 0.944 3090 E HN 0.377 nan 8.360 nan 0.000 0.492 3091 R N -0.076 120.356 120.500 -0.114 0.000 2.215 3091 R HA 0.155 4.481 4.340 -0.023 0.000 0.190 3091 R C 0.566 176.857 176.300 -0.016 0.000 0.968 3091 R CA 0.068 56.138 56.100 -0.051 0.000 1.122 3091 R CB 0.487 30.765 30.300 -0.035 0.000 1.151 3091 R HN -0.126 nan 8.270 nan 0.000 0.582 3092 N N 1.263 119.952 118.700 -0.018 0.000 2.685 3092 N HA 0.009 4.735 4.740 -0.023 0.000 0.252 3092 N C -0.141 175.406 175.510 0.063 0.000 1.261 3092 N CA 0.047 53.123 53.050 0.042 0.000 0.768 3092 N CB 1.381 39.904 38.487 0.061 0.000 1.304 3092 N HN 0.109 nan 8.380 nan 0.000 0.536 3093 E N 2.043 122.293 120.200 0.083 0.000 2.070 3093 E HA -0.219 4.117 4.350 -0.023 0.000 0.197 3093 E C 0.909 177.707 176.600 0.330 0.000 1.004 3093 E CA 1.287 57.782 56.400 0.157 0.000 0.805 3093 E CB 0.339 30.142 29.700 0.172 0.000 0.744 3093 E HN 0.355 nan 8.360 nan 0.000 0.451 3094 K N 0.356 120.949 120.400 0.322 0.000 2.032 3094 K HA -0.186 4.120 4.320 -0.023 0.000 0.209 3094 K C 2.248 178.879 176.600 0.052 0.000 1.048 3094 K CA 0.822 57.268 56.287 0.265 0.000 0.927 3094 K CB -0.601 31.941 32.500 0.070 0.000 0.712 3094 K HN 0.220 nan 8.250 nan 0.000 0.441 3095 L N 0.788 122.011 121.223 -0.000 0.000 2.093 3095 L HA -0.118 4.208 4.340 -0.023 0.000 0.208 3095 L C 2.182 178.955 176.870 -0.161 0.000 1.085 3095 L CA 1.319 56.096 54.840 -0.105 0.000 0.755 3095 L CB -0.703 41.328 42.059 -0.047 0.000 0.904 3095 L HN 0.071 nan 8.230 nan 0.000 0.435 3096 F N -0.362 119.423 119.950 -0.275 0.000 2.065 3096 F HA -0.312 4.201 4.527 -0.024 0.000 0.298 3096 F C 2.114 177.643 175.800 -0.451 0.000 1.112 3096 F CA 2.007 59.734 58.000 -0.455 0.000 1.212 3096 F CB -0.819 37.864 39.000 -0.528 0.000 0.975 3096 F HN 0.162 nan 8.300 nan 0.000 0.476 3097 Y N -0.295 119.901 120.300 -0.173 0.000 2.293 3097 Y HA -0.154 4.383 4.550 -0.022 0.000 0.291 3097 Y C 2.566 178.344 175.900 -0.204 0.000 1.137 3097 Y CA 1.149 59.120 58.100 -0.214 0.000 1.202 3097 Y CB -0.465 38.106 38.460 0.184 0.000 0.990 3097 Y HN 0.031 nan 8.280 nan 0.000 0.537 3098 R N 0.844 121.299 120.500 -0.077 0.000 2.081 3098 R HA -0.146 4.180 4.340 -0.023 0.000 0.235 3098 R C 1.742 177.935 176.300 -0.178 0.000 1.131 3098 R CA 1.577 57.598 56.100 -0.132 0.000 0.960 3098 R CB -0.982 29.206 30.300 -0.187 0.000 0.856 3098 R HN 0.249 nan 8.270 nan 0.000 0.436 3099 I N 0.476 120.843 120.570 -0.338 0.000 2.226 3099 I HA -0.184 3.972 4.170 -0.023 0.000 0.245 3099 I C 2.036 177.979 176.117 -0.290 0.000 1.100 3099 I CA 1.248 62.278 61.300 -0.450 0.000 1.374 3099 I CB -0.340 37.044 38.000 -1.026 0.000 1.057 3099 I HN 0.193 nan 8.210 nan 0.000 0.413 3100 L N -0.561 120.433 121.223 -0.383 0.000 2.093 3100 L HA -0.225 4.101 4.340 -0.023 0.000 0.208 3100 L C 2.460 179.265 176.870 -0.108 0.000 1.085 3100 L CA 1.326 56.007 54.840 -0.264 0.000 0.755 3100 L CB -0.638 41.195 42.059 -0.376 0.000 0.904 3100 L HN 0.373 nan 8.230 nan 0.000 0.435 3101 Q N 0.022 119.772 119.800 -0.083 0.000 2.224 3101 Q HA -0.208 4.118 4.340 -0.023 0.000 0.203 3101 Q C 1.442 177.433 176.000 -0.016 0.000 0.970 3101 Q CA 1.315 57.096 55.803 -0.037 0.000 0.865 3101 Q CB 0.137 28.857 28.738 -0.030 0.000 0.922 3101 Q HN 0.410 nan 8.270 nan 0.000 0.445 3102 D N 0.639 121.046 120.400 0.012 0.000 2.178 3102 D HA -0.089 4.537 4.640 -0.023 0.000 0.201 3102 D C -0.042 176.277 176.300 0.032 0.000 0.980 3102 D CA 1.176 55.209 54.000 0.055 0.000 0.842 3102 D CB 0.168 41.091 40.800 0.206 0.000 0.948 3102 D HN 0.217 nan 8.370 nan 0.000 0.472 3103 D N -0.899 119.529 120.400 0.047 0.000 2.881 3103 D HA 0.001 4.627 4.640 -0.023 0.000 0.238 3103 D C 0.607 176.925 176.300 0.029 0.000 1.368 3103 D CA -0.366 53.653 54.000 0.031 0.000 0.871 3103 D CB -0.239 40.583 40.800 0.037 0.000 1.516 3103 D HN -0.168 nan 8.370 nan 0.000 0.544 3104 I N 1.741 122.311 120.570 -0.000 0.000 2.361 3104 I HA -0.087 4.069 4.170 -0.023 0.000 0.251 3104 I C 1.899 178.013 176.117 -0.004 0.000 1.133 3104 I CA 1.663 62.952 61.300 -0.018 0.000 1.413 3104 I CB 0.064 38.037 38.000 -0.046 0.000 1.073 3104 I HN 0.461 nan 8.210 nan 0.000 0.424 3105 E N -0.237 119.966 120.200 0.006 0.000 2.106 3105 E HA -0.204 4.132 4.350 -0.023 0.000 0.192 3105 E C 2.223 178.846 176.600 0.039 0.000 0.984 3105 E CA 1.396 57.808 56.400 0.019 0.000 0.806 3105 E CB -0.145 29.571 29.700 0.026 0.000 0.750 3105 E HN 0.641 nan 8.360 nan 0.000 0.458 3106 S N -0.231 115.497 115.700 0.046 0.000 2.436 3106 S HA 0.037 4.493 4.470 -0.023 0.000 0.228 3106 S C 1.100 175.748 174.600 0.079 0.000 1.014 3106 S CA 0.003 58.240 58.200 0.061 0.000 0.950 3106 S CB -0.154 63.084 63.200 0.063 0.000 0.784 3106 S HN 0.120 nan 8.310 nan 0.000 0.504 3110 I N 0.509 121.167 120.570 0.147 0.000 2.385 3110 I HA -0.030 4.126 4.170 -0.023 0.000 0.244 3110 I C 2.165 178.465 176.117 0.306 0.000 1.089 3110 I CA 1.464 62.883 61.300 0.198 0.000 1.410 3110 I CB -0.905 37.212 38.000 0.195 0.000 1.117 3110 I HN -0.067 nan 8.210 nan 0.000 0.429 3111 V N -2.553 117.528 119.914 0.278 0.000 3.235 3111 V HA -0.018 4.088 4.120 -0.023 0.000 0.259 3111 V C 1.299 177.628 176.094 0.391 0.000 1.133 3111 V CA 0.689 63.191 62.300 0.337 0.000 1.128 3111 V CB -0.689 31.256 31.823 0.204 0.000 0.757 3111 V HN 0.280 nan 8.190 nan 0.000 0.469 3112 Y N 0.605 120.990 120.300 0.141 0.000 3.258 3112 Y HA 0.609 5.146 4.550 -0.023 0.000 0.311 3112 Y C 0.893 176.827 175.900 0.058 0.000 1.587 3112 Y CA -0.746 57.416 58.100 0.102 0.000 0.925 3112 Y CB 0.976 39.485 38.460 0.081 0.000 1.323 3112 Y HN -0.024 nan 8.280 nan 0.000 0.719 3113 T N 3.937 118.233 114.554 -0.431 0.000 2.919 3113 T HA 0.230 4.566 4.350 -0.023 0.000 0.302 3113 T C -1.929 172.687 174.700 -0.139 0.000 1.031 3113 T CA -1.463 60.432 62.100 -0.342 0.000 1.127 3113 T CB 0.710 69.282 68.868 -0.494 0.000 0.952 3113 T HN 0.472 nan 8.240 nan 0.000 0.540 3114 P HA 0.127 nan 4.420 nan 0.000 0.252 3114 P C 1.217 178.458 177.300 -0.097 0.000 1.218 3114 P CA 0.258 63.281 63.100 -0.129 0.000 0.807 3114 P CB 0.184 31.812 31.700 -0.119 0.000 1.072 3115 T N 0.327 114.848 114.554 -0.054 0.000 2.833 3115 T HA -0.094 4.242 4.350 -0.023 0.000 0.269 3115 T C 1.824 176.436 174.700 -0.147 0.000 1.054 3115 T CA 0.898 62.959 62.100 -0.066 0.000 1.135 3115 T CB -0.939 67.936 68.868 0.011 0.000 0.869 3115 T HN -0.089 nan 8.240 nan 0.000 0.466 3116 V N 1.485 121.349 119.914 -0.083 0.000 2.720 3116 V HA -0.062 4.044 4.120 -0.023 0.000 0.256 3116 V C 2.439 178.443 176.094 -0.150 0.000 1.082 3116 V CA 2.017 64.257 62.300 -0.099 0.000 1.101 3116 V CB -0.906 30.953 31.823 0.059 0.000 0.693 3116 V HN 0.591 nan 8.190 nan 0.000 0.479 3117 G N -0.548 108.169 108.800 -0.138 0.000 2.403 3117 G HA2 -0.198 3.748 3.960 -0.023 0.000 0.216 3117 G HA3 -0.198 3.748 3.960 -0.023 0.000 0.216 3117 G C 1.451 176.280 174.900 -0.118 0.000 1.154 3117 G CA 0.903 45.931 45.100 -0.121 0.000 0.784 3117 G HN 0.496 nan 8.290 nan 0.000 0.538 3118 L N 1.338 122.479 121.223 -0.137 0.000 2.093 3118 L HA 0.250 4.576 4.340 -0.023 0.000 0.208 3118 L C 2.959 179.727 176.870 -0.170 0.000 1.085 3118 L CA 1.974 56.735 54.840 -0.130 0.000 0.755 3118 L CB -0.598 41.389 42.059 -0.119 0.000 0.904 3118 L HN 0.207 nan 8.230 nan 0.000 0.435 3119 A N -1.452 121.198 122.820 -0.284 0.000 1.930 3119 A HA -0.207 4.099 4.320 -0.023 0.000 0.217 3119 A C 2.364 179.907 177.584 -0.067 0.000 1.175 3119 A CA 1.690 53.536 52.037 -0.319 0.000 0.627 3119 A CB -1.407 17.054 19.000 -0.898 0.000 0.815 3119 A HN 0.605 nan 8.150 nan 0.000 0.443 3120 C N 0.113 119.350 119.300 -0.106 0.000 2.440 3120 C HA -0.063 4.383 4.460 -0.023 0.000 0.278 3120 C C 3.327 178.313 174.990 -0.007 0.000 1.295 3120 C CA 1.307 60.260 59.018 -0.107 0.000 1.738 3120 C CB -1.150 26.507 27.740 -0.138 0.000 1.987 3120 C HN 0.795 nan 8.230 nan 0.000 0.492 3121 S N 0.447 116.140 115.700 -0.012 0.000 2.447 3121 S HA -0.144 4.312 4.470 -0.023 0.000 0.233 3121 S C 1.230 175.827 174.600 -0.006 0.000 1.006 3121 S CA 1.080 59.311 58.200 0.052 0.000 0.957 3121 S CB -0.462 62.737 63.200 -0.002 0.000 0.773 3121 S HN 0.822 nan 8.310 nan 0.000 0.507 3122 Q N -1.181 118.538 119.800 -0.135 0.000 2.135 3122 Q HA 0.293 4.619 4.340 -0.023 0.000 0.231 3122 Q C 0.212 176.079 176.000 -0.220 0.000 0.817 3122 Q CA -0.411 55.249 55.803 -0.238 0.000 1.073 3122 Q CB -0.021 28.584 28.738 -0.222 0.000 1.176 3122 Q HN 0.437 nan 8.270 nan 0.000 0.478 3123 Y N 1.682 121.627 120.300 -0.591 0.000 2.102 3123 Y HA -0.252 4.284 4.550 -0.023 0.000 0.280 3123 Y C 2.295 177.992 175.900 -0.340 0.000 1.178 3123 Y CA 2.305 60.134 58.100 -0.452 0.000 1.146 3123 Y CB -0.402 37.806 38.460 -0.420 0.000 0.968 3123 Y HN 0.294 nan 8.280 nan 0.000 0.504 3124 G N -2.649 105.817 108.800 -0.557 0.000 2.509 3124 G HA2 -0.223 3.723 3.960 -0.023 0.000 0.218 3124 G HA3 -0.223 3.723 3.960 -0.023 0.000 0.218 3124 G C 1.035 175.934 174.900 -0.002 0.000 1.124 3124 G CA 0.949 46.061 45.100 0.020 0.000 0.776 3124 G HN 0.482 nan 8.290 nan 0.000 0.547 3125 H N -0.122 118.848 119.070 -0.167 0.000 2.497 3125 H HA 0.162 4.704 4.556 -0.023 0.000 0.282 3125 H C 2.378 177.586 175.328 -0.200 0.000 1.003 3125 H CA 0.861 56.756 56.048 -0.256 0.000 1.307 3125 H CB 0.063 29.735 29.762 -0.151 0.000 1.437 3125 H HN 0.546 nan 8.280 nan 0.000 0.544 3126 I N -3.192 117.370 120.570 -0.013 0.000 3.956 3126 I HA 0.158 4.314 4.170 -0.023 0.000 0.333 3126 I C 0.205 176.281 176.117 -0.069 0.000 1.302 3126 I CA -0.392 60.887 61.300 -0.035 0.000 1.122 3126 I CB -0.113 37.885 38.000 -0.003 0.000 1.013 3126 I HN -0.129 nan 8.210 nan 0.000 0.405 3127 F N 3.447 123.258 119.950 -0.230 0.000 2.635 3127 F HA 0.005 4.517 4.527 -0.024 0.000 0.379 3127 F C 1.171 176.876 175.800 -0.158 0.000 1.094 3127 F CA 0.933 58.788 58.000 -0.242 0.000 1.300 3127 F CB 0.474 39.346 39.000 -0.214 0.000 1.035 3127 F HN 0.057 nan 8.300 nan 0.000 0.581 3128 R N 3.120 122.998 120.500 -1.036 0.000 2.840 3128 R HA 0.305 4.631 4.340 -0.023 0.000 0.173 3128 R C -0.289 175.398 176.300 -1.021 0.000 0.791 3128 R CA -0.505 55.161 56.100 -0.724 0.000 1.069 3128 R CB 0.595 30.669 30.300 -0.376 0.000 1.537 3128 R HN 0.495 nan 8.270 nan 0.000 0.609 3129 R N 1.372 121.215 120.500 -1.094 0.000 2.698 3129 R HA 0.387 4.713 4.340 -0.023 0.000 0.275 3129 R C -2.738 173.283 176.300 -0.465 0.000 1.001 3129 R CA -1.775 53.924 56.100 -0.668 0.000 0.896 3129 R CB 2.581 32.697 30.300 -0.306 0.000 1.218 3129 R HN -0.016 nan 8.270 nan 0.000 0.462 3130 P HA 0.239 nan 4.420 nan 0.000 0.277 3130 P C -1.388 176.067 177.300 0.258 0.000 1.240 3130 P CA -0.485 62.840 63.100 0.376 0.000 0.798 3130 P CB 1.111 33.101 31.700 0.483 0.000 0.979 3131 K N 1.149 121.744 120.400 0.325 0.000 2.578 3131 K HA 0.642 4.948 4.320 -0.023 0.000 0.250 3131 K C -0.146 176.513 176.600 0.099 0.000 0.955 3131 K CA -0.465 55.932 56.287 0.183 0.000 0.825 3131 K CB 1.688 34.250 32.500 0.104 0.000 1.151 3131 K HN 0.928 nan 8.250 nan 0.000 0.432 3132 G N 1.671 110.547 108.800 0.127 0.000 2.498 3132 G HA2 -0.137 3.809 3.960 -0.023 0.000 0.651 3132 G HA3 -0.137 3.809 3.960 -0.023 0.000 0.651 3132 G C -1.714 173.027 174.900 -0.266 0.000 1.284 3132 G CA -1.117 43.853 45.100 -0.217 0.000 0.950 3132 G HN 0.382 nan 8.290 nan 0.000 0.511 3133 L N 0.011 120.902 121.223 -0.553 0.000 2.295 3133 L HA 0.732 5.058 4.340 -0.023 0.000 0.285 3133 L C -0.673 175.919 176.870 -0.463 0.000 1.035 3133 L CA -0.600 54.039 54.840 -0.335 0.000 0.806 3133 L CB 0.992 42.823 42.059 -0.381 0.000 1.214 3133 L HN 0.469 nan 8.230 nan 0.000 0.426 3134 F N 5.200 125.115 119.950 -0.058 0.000 2.402 3134 F HA 0.481 4.994 4.527 -0.023 0.000 0.355 3134 F C 0.242 175.987 175.800 -0.093 0.000 1.123 3134 F CA -0.450 57.497 58.000 -0.088 0.000 1.021 3134 F CB 1.355 40.324 39.000 -0.053 0.000 1.160 3134 F HN 0.188 nan 8.300 nan 0.000 0.451 3135 I N 3.234 123.799 120.570 -0.008 0.000 2.382 3135 I HA 0.360 4.516 4.170 -0.023 0.000 0.286 3135 I C -0.173 175.925 176.117 -0.032 0.000 1.002 3135 I CA -0.442 60.834 61.300 -0.040 0.000 1.135 3135 I CB 1.678 39.587 38.000 -0.152 0.000 1.288 3135 I HN 0.621 nan 8.210 nan 0.000 0.448 3136 S N 6.144 121.849 115.700 0.007 0.000 2.704 3136 S HA 0.438 4.894 4.470 -0.023 0.000 0.305 3136 S C 0.967 175.583 174.600 0.027 0.000 1.107 3136 S CA -0.793 57.414 58.200 0.012 0.000 0.993 3136 S CB 1.985 65.190 63.200 0.009 0.000 1.110 3136 S HN 0.621 nan 8.310 nan 0.000 0.534 3137 I N 1.376 121.972 120.570 0.044 0.000 2.567 3137 I HA -0.096 4.060 4.170 -0.023 0.000 0.257 3137 I C 1.626 177.780 176.117 0.063 0.000 1.184 3137 I CA 1.181 62.518 61.300 0.063 0.000 1.451 3137 I CB -1.009 37.044 38.000 0.088 0.000 1.089 3137 I HN 0.771 nan 8.210 nan 0.000 0.441 3138 S N 0.572 116.304 115.700 0.053 0.000 2.515 3138 S HA -0.072 4.384 4.470 -0.023 0.000 0.231 3138 S C 1.063 175.712 174.600 0.080 0.000 0.987 3138 S CA 0.680 58.914 58.200 0.057 0.000 0.936 3138 S CB -0.171 63.051 63.200 0.036 0.000 0.766 3138 S HN 0.501 nan 8.310 nan 0.000 0.528 3139 D N 1.490 121.941 120.400 0.085 0.000 2.363 3139 D HA 0.025 4.651 4.640 -0.023 0.000 0.214 3139 D C 0.506 176.895 176.300 0.148 0.000 1.093 3139 D CA -0.072 54.008 54.000 0.133 0.000 0.837 3139 D CB 0.106 40.964 40.800 0.096 0.000 0.948 3139 D HN 0.530 nan 8.370 nan 0.000 0.507 3140 R N 0.234 120.793 120.500 0.098 0.000 2.537 3140 R HA 0.195 4.521 4.340 -0.023 0.000 0.281 3140 R C 0.951 177.245 176.300 -0.010 0.000 0.988 3140 R CA 1.005 57.135 56.100 0.049 0.000 1.077 3140 R CB -0.015 30.313 30.300 0.046 0.000 0.932 3140 R HN 0.028 nan 8.270 nan 0.000 0.409 3141 G N 2.101 110.850 108.800 -0.085 0.000 2.213 3141 G HA2 -0.250 3.696 3.960 -0.023 0.000 0.236 3141 G HA3 -0.250 3.696 3.960 -0.023 0.000 0.236 3141 G C 0.339 174.968 174.900 -0.451 0.000 0.991 3141 G CA 0.217 45.155 45.100 -0.270 0.000 0.629 3141 G HN 0.804 nan 8.290 nan 0.000 0.517 3142 H N -0.258 118.824 119.070 0.020 0.000 2.649 3142 H HA 0.389 4.931 4.556 -0.023 0.000 0.258 3142 H C 1.987 177.328 175.328 0.022 0.000 1.165 3142 H CA 0.467 56.526 56.048 0.019 0.000 1.006 3142 H CB 0.493 30.267 29.762 0.020 0.000 1.743 3142 H HN 0.255 nan 8.280 nan 0.000 0.609 3143 V N 0.781 120.747 119.914 0.088 0.000 2.407 3143 V HA -0.249 3.857 4.120 -0.023 0.000 0.248 3143 V C 2.757 178.890 176.094 0.064 0.000 1.055 3143 V CA 1.750 64.097 62.300 0.078 0.000 1.049 3143 V CB -0.243 31.619 31.823 0.066 0.000 0.662 3143 V HN 0.202 nan 8.190 nan 0.000 0.455 3144 R N 1.777 122.300 120.500 0.039 0.000 2.096 3144 R HA -0.139 4.187 4.340 -0.023 0.000 0.235 3144 R C 2.512 178.832 176.300 0.034 0.000 1.127 3144 R CA 2.035 58.145 56.100 0.016 0.000 0.968 3144 R CB -0.958 29.339 30.300 -0.005 0.000 0.861 3144 R HN 0.677 nan 8.270 nan 0.000 0.440 3145 S N -0.664 115.074 115.700 0.064 0.000 2.423 3145 S HA -0.058 4.398 4.470 -0.023 0.000 0.231 3145 S C 2.086 176.729 174.600 0.073 0.000 1.014 3145 S CA 1.106 59.345 58.200 0.065 0.000 0.965 3145 S CB -0.398 62.850 63.200 0.081 0.000 0.785 3145 S HN 0.358 nan 8.310 nan 0.000 0.495 3146 I N 1.110 121.731 120.570 0.085 0.000 2.286 3146 I HA -0.075 4.081 4.170 -0.023 0.000 0.245 3146 I C 2.362 178.551 176.117 0.120 0.000 1.104 3146 I CA 0.746 62.107 61.300 0.101 0.000 1.397 3146 I CB -0.325 37.732 38.000 0.096 0.000 1.072 3146 I HN 0.203 nan 8.210 nan 0.000 0.417 3147 V N 0.762 120.732 119.914 0.093 0.000 2.407 3147 V HA -0.289 3.817 4.120 -0.023 0.000 0.248 3147 V C 1.846 178.005 176.094 0.109 0.000 1.055 3147 V CA 1.846 64.202 62.300 0.094 0.000 1.049 3147 V CB -0.654 31.177 31.823 0.015 0.000 0.662 3147 V HN 0.396 nan 8.190 nan 0.000 0.455 3148 D N 0.076 120.512 120.400 0.060 0.000 2.310 3148 D HA -0.091 4.535 4.640 -0.023 0.000 0.212 3148 D C 1.829 178.189 176.300 0.100 0.000 0.965 3148 D CA 0.632 54.661 54.000 0.049 0.000 0.879 3148 D CB -0.302 40.509 40.800 0.019 0.000 0.921 3148 D HN 0.393 nan 8.370 nan 0.000 0.510 3149 N N -0.230 118.551 118.700 0.135 0.000 2.463 3149 N HA -0.087 4.639 4.740 -0.023 0.000 0.181 3149 N C 0.347 175.972 175.510 0.192 0.000 1.078 3149 N CA -0.015 53.115 53.050 0.133 0.000 0.902 3149 N CB 0.062 38.625 38.487 0.127 0.000 0.970 3149 N HN 0.373 nan 8.380 nan 0.000 0.451 3150 W N 2.938 124.277 121.300 0.064 0.000 2.308 3150 W HA 0.050 4.696 4.660 -0.023 0.000 0.324 3150 W C -1.665 174.905 176.519 0.084 0.000 1.387 3150 W CA -1.271 56.123 57.345 0.083 0.000 1.250 3150 W CB 0.961 30.502 29.460 0.135 0.000 1.257 3150 W HN 0.070 nan 8.180 nan 0.000 0.554 3151 P HA -0.166 nan 4.420 nan 0.000 0.218 3151 P C -0.111 177.032 177.300 -0.261 0.000 1.148 3151 P CA 1.594 64.453 63.100 -0.403 0.000 0.822 3151 P CB 0.180 31.575 31.700 -0.509 0.000 0.784 3152 E N 0.016 120.013 120.200 -0.338 0.000 2.313 3152 E HA 0.095 4.431 4.350 -0.023 0.000 0.276 3152 E C 0.603 177.371 176.600 0.280 0.000 1.031 3152 E CA -0.076 56.336 56.400 0.020 0.000 0.857 3152 E CB 0.310 30.067 29.700 0.095 0.000 1.040 3152 E HN 0.159 nan 8.360 nan 0.000 0.408 3153 N N 0.965 119.812 118.700 0.244 0.000 2.392 3153 N HA -0.083 4.643 4.740 -0.023 0.000 0.177 3153 N C 0.162 175.949 175.510 0.462 0.000 1.066 3153 N CA 0.454 53.712 53.050 0.347 0.000 0.895 3153 N CB 0.219 38.826 38.487 0.200 0.000 0.988 3153 N HN 0.393 nan 8.380 nan 0.000 0.457 3154 H N 0.740 119.912 119.070 0.170 0.000 2.386 3154 H HA 0.336 4.878 4.556 -0.024 0.000 0.232 3154 H C -0.897 174.369 175.328 -0.105 0.000 1.416 3154 H CA -0.395 55.708 56.048 0.091 0.000 1.285 3154 H CB -0.367 29.437 29.762 0.070 0.000 1.625 3154 H HN -0.309 nan 8.280 nan 0.000 0.521 3155 V N 3.085 122.625 119.914 -0.623 0.000 2.655 3155 V HA 0.049 4.155 4.120 -0.023 0.000 0.300 3155 V C 1.026 176.762 176.094 -0.596 0.000 1.044 3155 V CA 0.290 62.130 62.300 -0.767 0.000 1.095 3155 V CB 1.270 32.268 31.823 -1.376 0.000 0.952 3155 V HN 0.637 nan 8.190 nan 0.000 0.485 3156 K N 2.591 122.755 120.400 -0.393 0.000 2.425 3156 K HA 0.432 4.738 4.320 -0.023 0.000 0.201 3156 K C 0.212 176.728 176.600 -0.139 0.000 1.128 3156 K CA 0.474 56.608 56.287 -0.256 0.000 1.000 3156 K CB 1.553 33.944 32.500 -0.182 0.000 0.961 3156 K HN 0.700 nan 8.250 nan 0.000 0.555 3157 A N 1.244 123.967 122.820 -0.162 0.000 2.427 3157 A HA 0.620 4.926 4.320 -0.023 0.000 0.298 3157 A C -1.054 176.387 177.584 -0.239 0.000 1.036 3157 A CA -0.524 51.456 52.037 -0.096 0.000 0.701 3157 A CB 1.742 20.792 19.000 0.082 0.000 1.250 3157 A HN -0.102 nan 8.150 nan 0.000 0.412 3158 V N 2.231 122.014 119.914 -0.219 0.000 2.656 3158 V HA 0.588 4.694 4.120 -0.023 0.000 0.307 3158 V C -0.680 175.246 176.094 -0.281 0.000 1.051 3158 V CA -0.540 61.594 62.300 -0.276 0.000 0.893 3158 V CB 1.965 33.651 31.823 -0.229 0.000 0.999 3158 V HN 0.716 nan 8.190 nan 0.000 0.426 3159 V N 5.129 124.841 119.914 -0.336 0.000 2.407 3159 V HA 0.565 4.671 4.120 -0.023 0.000 0.291 3159 V C -0.430 175.480 176.094 -0.308 0.000 1.018 3159 V CA -0.549 61.555 62.300 -0.326 0.000 0.842 3159 V CB 1.871 33.474 31.823 -0.367 0.000 0.996 3159 V HN 0.619 nan 8.190 nan 0.000 0.426 3160 V N 4.809 124.540 119.914 -0.304 0.000 2.769 3160 V HA 0.891 4.997 4.120 -0.023 0.000 0.312 3160 V C -0.331 175.677 176.094 -0.143 0.000 1.061 3160 V CA 0.179 62.293 62.300 -0.310 0.000 0.931 3160 V CB 2.501 34.081 31.823 -0.403 0.000 1.010 3160 V HN 0.967 nan 8.190 nan 0.000 0.433 3161 T N 2.419 116.823 114.554 -0.251 0.000 2.864 3161 T HA 0.470 4.806 4.350 -0.023 0.000 0.299 3161 T C -0.641 173.658 174.700 -0.669 0.000 1.166 3161 T CA 0.164 62.008 62.100 -0.428 0.000 1.007 3161 T CB 1.796 70.481 68.868 -0.305 0.000 1.219 3161 T HN 0.934 nan 8.240 nan 0.000 0.506 3162 D N 0.110 119.906 120.400 -1.005 0.000 2.469 3162 D HA 0.237 4.863 4.640 -0.023 0.000 0.215 3162 D C 1.334 177.432 176.300 -0.338 0.000 1.154 3162 D CA 0.555 54.210 54.000 -0.576 0.000 0.832 3162 D CB -0.323 40.177 40.800 -0.500 0.000 1.008 3162 D HN 1.089 nan 8.370 nan 0.000 0.506 3163 G N 1.463 110.062 108.800 -0.334 0.000 2.233 3163 G HA2 -0.418 3.528 3.960 -0.023 0.000 0.270 3163 G HA3 -0.418 3.528 3.960 -0.023 0.000 0.270 3163 G C 0.708 175.528 174.900 -0.134 0.000 1.011 3163 G CA 0.828 45.819 45.100 -0.182 0.000 0.762 3163 G HN 0.520 nan 8.290 nan 0.000 0.511 3164 E N -0.580 119.525 120.200 -0.157 0.000 2.230 3164 E HA 0.065 4.401 4.350 -0.023 0.000 0.192 3164 E C 1.666 178.233 176.600 -0.055 0.000 0.987 3164 E CA 0.324 56.671 56.400 -0.088 0.000 0.841 3164 E CB 0.078 29.738 29.700 -0.066 0.000 0.783 3164 E HN 0.317 nan 8.360 nan 0.000 0.481 3165 R N 1.435 121.903 120.500 -0.053 0.000 2.629 3165 R HA 0.187 4.513 4.340 -0.023 0.000 0.277 3165 R C -1.081 175.195 176.300 -0.040 0.000 1.637 3165 R CA -0.453 55.629 56.100 -0.029 0.000 1.663 3165 R CB 0.215 30.517 30.300 0.003 0.000 1.228 3165 R HN 0.121 nan 8.270 nan 0.000 0.632 3166 I N 5.527 126.066 120.570 -0.052 0.000 2.406 3166 I HA 0.039 4.195 4.170 -0.023 0.000 0.293 3166 I C 1.544 177.628 176.117 -0.055 0.000 1.101 3166 I CA 0.394 61.658 61.300 -0.059 0.000 1.334 3166 I CB -0.335 37.629 38.000 -0.061 0.000 1.421 3166 I HN 0.605 nan 8.210 nan 0.000 0.513 3167 L N 5.122 126.311 121.223 -0.056 0.000 6.593 3167 L HA -0.306 4.020 4.340 -0.023 0.000 0.053 3167 L C 1.416 178.256 176.870 -0.050 0.000 1.816 3167 L CA 1.360 56.162 54.840 -0.063 0.000 1.701 3167 L CB -1.431 40.576 42.059 -0.088 0.000 2.696 3167 L HN 0.703 nan 8.230 nan 0.000 1.037 3168 G N -0.631 108.136 108.800 -0.054 0.000 3.434 3168 G HA2 0.467 4.413 3.960 -0.023 0.000 0.258 3168 G HA3 0.467 4.413 3.960 -0.023 0.000 0.258 3168 G C 0.881 175.756 174.900 -0.042 0.000 1.128 3168 G CA -0.045 45.028 45.100 -0.045 0.000 0.792 3168 G HN 0.330 nan 8.290 nan 0.000 0.539 3169 L N -0.174 121.024 121.223 -0.042 0.000 2.567 3169 L HA 0.307 4.633 4.340 -0.023 0.000 0.225 3169 L C 1.684 178.536 176.870 -0.031 0.000 1.119 3169 L CA 0.429 55.247 54.840 -0.035 0.000 0.871 3169 L CB -0.336 41.702 42.059 -0.035 0.000 1.036 3169 L HN 0.362 nan 8.230 nan 0.000 0.459 3170 G N 0.704 109.484 108.800 -0.033 0.000 2.527 3170 G HA2 -0.282 3.664 3.960 -0.023 0.000 0.227 3170 G HA3 -0.282 3.664 3.960 -0.023 0.000 0.227 3170 G C -0.548 174.330 174.900 -0.037 0.000 1.291 3170 G CA -0.233 44.848 45.100 -0.033 0.000 0.904 3170 G HN 0.201 nan 8.290 nan 0.000 0.577 3171 D N 1.081 121.456 120.400 -0.042 0.000 2.342 3171 D HA 0.369 4.995 4.640 -0.023 0.000 0.260 3171 D C 1.328 177.596 176.300 -0.053 0.000 1.278 3171 D CA 0.077 54.046 54.000 -0.053 0.000 0.910 3171 D CB 0.187 40.951 40.800 -0.061 0.000 1.079 3171 D HN 0.405 nan 8.370 nan 0.000 0.496 3172 L N 3.202 124.405 121.223 -0.033 0.000 2.906 3172 L HA 0.261 4.587 4.340 -0.023 0.000 0.255 3172 L C 1.698 178.589 176.870 0.035 0.000 1.166 3172 L CA -0.139 54.706 54.840 0.008 0.000 0.977 3172 L CB 0.065 42.168 42.059 0.074 0.000 1.313 3172 L HN 0.616 nan 8.230 nan 0.000 0.549 3173 G N 1.054 109.855 108.800 0.002 0.000 2.652 3173 G HA2 -0.381 3.565 3.960 -0.023 0.000 0.318 3173 G HA3 -0.381 3.565 3.960 -0.023 0.000 0.318 3173 G C 0.881 175.844 174.900 0.104 0.000 1.295 3173 G CA 0.476 45.615 45.100 0.065 0.000 0.999 3173 G HN -0.058 nan 8.290 nan 0.000 0.548 3174 V N 0.572 120.582 119.914 0.161 0.000 2.867 3174 V HA -0.127 3.979 4.120 -0.023 0.000 0.260 3174 V C 2.265 178.513 176.094 0.255 0.000 1.099 3174 V CA 2.475 64.840 62.300 0.109 0.000 1.122 3174 V CB -0.792 30.970 31.823 -0.101 0.000 0.708 3174 V HN 0.547 nan 8.190 nan 0.000 0.490 3175 Y N 0.558 120.942 120.300 0.139 0.000 2.574 3175 Y HA 0.035 4.571 4.550 -0.024 0.000 0.294 3175 Y C 1.908 177.674 175.900 -0.224 0.000 1.142 3175 Y CA -0.235 57.909 58.100 0.073 0.000 1.314 3175 Y CB -0.062 38.506 38.460 0.180 0.000 0.991 3175 Y HN 0.437 nan 8.280 nan 0.000 0.555 3179 I N 1.824 122.314 120.570 -0.135 0.000 2.162 3179 I HA 0.037 4.193 4.170 -0.023 0.000 0.238 3179 I C -0.204 175.876 176.117 -0.061 0.000 1.076 3179 I CA 0.913 62.176 61.300 -0.061 0.000 1.353 3179 I CB -1.741 36.207 38.000 -0.088 0.000 1.063 3179 I HN -0.026 nan 8.210 nan 0.000 0.408 3180 P HA -0.105 nan 4.420 nan 0.000 0.216 3180 P C 2.252 179.470 177.300 -0.137 0.000 1.150 3180 P CA 1.138 64.132 63.100 -0.176 0.000 0.837 3180 P CB 0.068 31.624 31.700 -0.241 0.000 0.786 3181 V N -0.213 119.654 119.914 -0.079 0.000 2.343 3181 V HA -0.201 3.905 4.120 -0.023 0.000 0.247 3181 V C 2.533 178.655 176.094 0.046 0.000 1.051 3181 V CA 2.551 64.840 62.300 -0.019 0.000 1.036 3181 V CB -1.814 30.042 31.823 0.055 0.000 0.654 3181 V HN 0.192 nan 8.190 nan 0.000 0.451 3182 G N -0.230 108.629 108.800 0.098 0.000 2.433 3182 G HA2 -0.200 3.746 3.960 -0.023 0.000 0.216 3182 G HA3 -0.200 3.746 3.960 -0.023 0.000 0.216 3182 G C 1.632 176.626 174.900 0.156 0.000 1.186 3182 G CA 0.572 45.784 45.100 0.187 0.000 0.779 3182 G HN 0.366 nan 8.290 nan 0.000 0.543 3183 K N 0.391 120.844 120.400 0.089 0.000 2.074 3183 K HA -0.003 4.303 4.320 -0.023 0.000 0.209 3183 K C 2.514 179.176 176.600 0.103 0.000 1.048 3183 K CA 0.744 57.054 56.287 0.038 0.000 0.926 3183 K CB -0.711 31.648 32.500 -0.236 0.000 0.713 3183 K HN 0.343 nan 8.250 nan 0.000 0.444 3184 L N 0.367 121.542 121.223 -0.081 0.000 2.141 3184 L HA -0.176 4.150 4.340 -0.023 0.000 0.209 3184 L C 2.602 179.532 176.870 0.099 0.000 1.094 3184 L CA 0.648 55.392 54.840 -0.160 0.000 0.763 3184 L CB -0.415 41.485 42.059 -0.265 0.000 0.908 3184 L HN 0.169 nan 8.230 nan 0.000 0.437 3185 C N -0.249 119.164 119.300 0.188 0.000 2.435 3185 C HA -0.108 4.338 4.460 -0.023 0.000 0.279 3185 C C 2.637 177.824 174.990 0.328 0.000 1.321 3185 C CA 0.446 59.683 59.018 0.364 0.000 1.752 3185 C CB -0.724 27.229 27.740 0.356 0.000 1.959 3185 C HN 0.448 nan 8.230 nan 0.000 0.500 3186 L N -1.374 119.998 121.223 0.249 0.000 2.240 3186 L HA -0.067 4.259 4.340 -0.023 0.000 0.211 3186 L C 2.400 179.409 176.870 0.232 0.000 1.106 3186 L CA 1.070 56.015 54.840 0.176 0.000 0.793 3186 L CB -0.633 41.491 42.059 0.108 0.000 0.927 3186 L HN 0.258 nan 8.230 nan 0.000 0.446 3187 Y N 0.809 121.191 120.300 0.137 0.000 2.128 3187 Y HA -0.278 4.258 4.550 -0.022 0.000 0.284 3187 Y C 2.826 178.708 175.900 -0.031 0.000 1.154 3187 Y CA 1.894 60.046 58.100 0.086 0.000 1.149 3187 Y CB -0.807 37.693 38.460 0.066 0.000 0.976 3187 Y HN 0.127 nan 8.280 nan 0.000 0.505 3188 T N -0.711 113.891 114.554 0.079 0.000 2.809 3188 T HA -0.056 4.280 4.350 -0.023 0.000 0.260 3188 T C 2.182 176.814 174.700 -0.114 0.000 1.039 3188 T CA 1.148 63.130 62.100 -0.196 0.000 1.141 3188 T CB -0.620 67.788 68.868 -0.766 0.000 0.869 3188 T HN 0.352 nan 8.240 nan 0.000 0.437 3189 A N 0.300 123.137 122.820 0.029 0.000 1.969 3189 A HA -0.075 4.231 4.320 -0.023 0.000 0.218 3189 A C 2.542 180.123 177.584 -0.005 0.000 1.169 3189 A CA 1.324 53.406 52.037 0.075 0.000 0.635 3189 A CB -1.055 18.009 19.000 0.108 0.000 0.810 3189 A HN 0.626 nan 8.150 nan 0.000 0.445 3190 C N -2.208 117.068 119.300 -0.041 0.000 2.541 3190 C HA 0.454 4.900 4.460 -0.023 0.000 0.284 3190 C C 2.807 177.745 174.990 -0.087 0.000 1.341 3190 C CA 0.580 59.538 59.018 -0.099 0.000 1.732 3190 C CB -0.531 27.093 27.740 -0.192 0.000 2.126 3190 C HN 0.668 nan 8.230 nan 0.000 0.505 3191 A N -0.540 122.234 122.820 -0.077 0.000 2.390 3191 A HA 0.499 4.805 4.320 -0.023 0.000 0.232 3191 A C 1.516 179.084 177.584 -0.027 0.000 1.233 3191 A CA 0.980 52.975 52.037 -0.071 0.000 0.907 3191 A CB -0.567 18.362 19.000 -0.119 0.000 0.967 3191 A HN 1.180 nan 8.150 nan 0.000 0.512 3192 G N 0.067 108.870 108.800 0.004 0.000 2.198 3192 G HA2 -0.235 3.711 3.960 -0.023 0.000 0.260 3192 G HA3 -0.235 3.711 3.960 -0.023 0.000 0.260 3192 G C 0.085 175.032 174.900 0.078 0.000 1.025 3192 G CA 0.408 45.553 45.100 0.076 0.000 0.769 3192 G HN 0.494 nan 8.290 nan 0.000 0.507 3193 I N 0.387 120.961 120.570 0.007 0.000 2.529 3193 I HA 0.180 4.336 4.170 -0.023 0.000 0.284 3193 I C 1.380 177.417 176.117 -0.133 0.000 1.082 3193 I CA -0.625 60.675 61.300 -0.000 0.000 1.406 3193 I CB 0.568 38.616 38.000 0.081 0.000 1.405 3193 I HN 0.110 nan 8.210 nan 0.000 0.548 3194 R N 7.108 127.526 120.500 -0.136 0.000 2.502 3194 R HA 0.007 4.333 4.340 -0.023 0.000 0.292 3194 R C -1.668 174.360 176.300 -0.454 0.000 0.998 3194 R CA -0.970 54.899 56.100 -0.385 0.000 1.056 3194 R CB -0.038 30.181 30.300 -0.135 0.000 0.939 3194 R HN 0.400 nan 8.270 nan 0.000 0.411 3195 P HA -0.210 nan 4.420 nan 0.000 0.215 3195 P C 0.581 177.749 177.300 -0.220 0.000 1.157 3195 P CA 1.285 64.106 63.100 -0.465 0.000 0.868 3195 P CB 0.097 31.462 31.700 -0.560 0.000 0.788 3196 D N -0.663 119.622 120.400 -0.192 0.000 2.403 3196 D HA -0.165 4.461 4.640 -0.023 0.000 0.227 3196 D C 1.187 177.472 176.300 -0.024 0.000 0.995 3196 D CA 0.827 54.794 54.000 -0.055 0.000 0.928 3196 D CB -0.593 40.194 40.800 -0.023 0.000 0.887 3196 D HN 0.240 nan 8.370 nan 0.000 0.529 3197 R N -0.799 119.649 120.500 -0.087 0.000 2.472 3197 R HA 0.267 4.593 4.340 -0.023 0.000 0.279 3197 R C -0.251 175.949 176.300 -0.167 0.000 0.953 3197 R CA -0.299 55.732 56.100 -0.116 0.000 1.088 3197 R CB 0.570 30.808 30.300 -0.103 0.000 1.197 3197 R HN 0.093 nan 8.270 nan 0.000 0.536 3198 C N 1.314 120.527 119.300 -0.146 0.000 2.376 3198 C HA 0.544 4.990 4.460 -0.023 0.000 0.335 3198 C C -0.482 174.370 174.990 -0.231 0.000 1.229 3198 C CA -0.941 57.948 59.018 -0.215 0.000 1.867 3198 C CB 1.113 28.718 27.740 -0.224 0.000 2.319 3198 C HN 0.275 nan 8.230 nan 0.000 0.515 3199 L N 5.895 126.897 121.223 -0.369 0.000 2.415 3199 L HA 0.563 4.889 4.340 -0.023 0.000 0.268 3199 L C -2.778 173.791 176.870 -0.502 0.000 0.984 3199 L CA -1.813 52.704 54.840 -0.539 0.000 0.853 3199 L CB 1.324 42.955 42.059 -0.714 0.000 1.215 3199 L HN 0.396 nan 8.230 nan 0.000 0.419 3200 P HA 0.411 nan 4.420 nan 0.000 0.280 3200 P C -1.273 175.734 177.300 -0.489 0.000 1.244 3200 P CA -0.236 62.621 63.100 -0.406 0.000 0.784 3200 P CB 1.514 33.031 31.700 -0.305 0.000 0.913 3201 V N 3.036 122.681 119.914 -0.447 0.000 2.709 3201 V HA 0.429 4.535 4.120 -0.023 0.000 0.308 3201 V C -0.525 175.275 176.094 -0.490 0.000 1.062 3201 V CA -0.530 61.470 62.300 -0.501 0.000 0.901 3201 V CB 2.411 33.953 31.823 -0.467 0.000 1.003 3201 V HN 0.685 nan 8.190 nan 0.000 0.425 3202 C N 6.521 125.517 119.300 -0.508 0.000 2.340 3202 C HA 0.677 5.123 4.460 -0.023 0.000 0.323 3202 C C -0.615 174.195 174.990 -0.300 0.000 1.260 3202 C CA -0.516 58.282 59.018 -0.367 0.000 1.464 3202 C CB -0.039 27.546 27.740 -0.259 0.000 2.156 3202 C HN 0.707 nan 8.230 nan 0.000 0.476 3203 I N 5.341 125.726 120.570 -0.308 0.000 2.315 3203 I HA 0.302 4.458 4.170 -0.023 0.000 0.291 3203 I C 0.004 176.060 176.117 -0.102 0.000 1.006 3203 I CA 0.283 61.439 61.300 -0.240 0.000 1.265 3203 I CB 1.066 38.910 38.000 -0.260 0.000 1.387 3203 I HN 0.682 nan 8.210 nan 0.000 0.475 3204 D N 6.417 126.793 120.400 -0.039 0.000 2.441 3204 D HA 0.318 4.944 4.640 -0.023 0.000 0.231 3204 D C 0.486 176.810 176.300 0.040 0.000 1.073 3204 D CA -0.382 53.621 54.000 0.005 0.000 0.850 3204 D CB 1.215 42.015 40.800 0.001 0.000 1.062 3204 D HN 0.332 nan 8.370 nan 0.000 0.524 3205 V N 1.692 121.654 119.914 0.080 0.000 3.176 3205 V HA 0.734 4.840 4.120 -0.023 0.000 0.332 3205 V C 0.789 176.931 176.094 0.079 0.000 1.414 3205 V CA 0.447 62.818 62.300 0.118 0.000 1.133 3205 V CB -0.330 31.645 31.823 0.252 0.000 1.088 3205 V HN 0.702 nan 8.190 nan 0.000 0.473 3206 G N -0.139 108.695 108.800 0.057 0.000 2.498 3206 G HA2 0.285 4.231 3.960 -0.023 0.000 0.651 3206 G HA3 0.285 4.231 3.960 -0.023 0.000 0.651 3206 G C -0.456 174.456 174.900 0.019 0.000 1.284 3206 G CA 0.035 45.162 45.100 0.045 0.000 0.950 3206 G HN 1.350 nan 8.290 nan 0.000 0.511 3207 T N -1.395 113.146 114.554 -0.022 0.000 2.932 3207 T HA 0.586 4.922 4.350 -0.023 0.000 0.318 3207 T C -0.675 173.970 174.700 -0.092 0.000 1.265 3207 T CA 0.240 62.295 62.100 -0.076 0.000 1.036 3207 T CB 1.785 70.560 68.868 -0.154 0.000 1.209 3207 T HN 0.417 nan 8.240 nan 0.000 0.484 3208 D N 1.981 122.329 120.400 -0.086 0.000 2.349 3208 D HA 0.104 4.730 4.640 -0.023 0.000 0.214 3208 D C 0.385 176.632 176.300 -0.089 0.000 1.063 3208 D CA 0.005 53.960 54.000 -0.074 0.000 0.847 3208 D CB 0.203 40.969 40.800 -0.056 0.000 0.933 3208 D HN 0.446 nan 8.370 nan 0.000 0.513 3209 N N 2.146 120.770 118.700 -0.127 0.000 2.400 3209 N HA -0.041 4.685 4.740 -0.023 0.000 0.267 3209 N C 1.236 176.660 175.510 -0.143 0.000 1.208 3209 N CA -0.170 52.800 53.050 -0.134 0.000 0.951 3209 N CB 0.432 38.815 38.487 -0.174 0.000 1.227 3209 N HN -0.086 nan 8.380 nan 0.000 0.488 3210 I N 2.882 123.396 120.570 -0.093 0.000 2.264 3210 I HA -0.247 3.909 4.170 -0.023 0.000 0.248 3210 I C 2.139 178.210 176.117 -0.078 0.000 1.111 3210 I CA 0.908 62.162 61.300 -0.076 0.000 1.382 3210 I CB -1.599 36.372 38.000 -0.049 0.000 1.060 3210 I HN 0.550 nan 8.210 nan 0.000 0.418 3211 A N 0.712 123.488 122.820 -0.073 0.000 1.933 3211 A HA -0.125 4.181 4.320 -0.023 0.000 0.218 3211 A C 2.385 179.922 177.584 -0.077 0.000 1.175 3211 A CA 1.140 53.148 52.037 -0.049 0.000 0.628 3211 A CB -0.662 18.325 19.000 -0.021 0.000 0.814 3211 A HN 0.416 nan 8.150 nan 0.000 0.444 3212 L N -0.791 120.312 121.223 -0.200 0.000 2.156 3212 L HA -0.062 4.264 4.340 -0.023 0.000 0.208 3212 L C 2.263 178.930 176.870 -0.339 0.000 1.095 3212 L CA 0.585 55.184 54.840 -0.402 0.000 0.770 3212 L CB -0.482 41.056 42.059 -0.869 0.000 0.914 3212 L HN 0.340 nan 8.230 nan 0.000 0.439 3213 L N 0.548 121.641 121.223 -0.215 0.000 2.353 3213 L HA -0.173 4.153 4.340 -0.023 0.000 0.220 3213 L C 2.194 179.107 176.870 0.071 0.000 1.133 3213 L CA 1.181 56.030 54.840 0.015 0.000 0.798 3213 L CB -0.305 41.744 42.059 -0.017 0.000 0.922 3213 L HN 0.399 nan 8.230 nan 0.000 0.445 3214 K N -1.654 118.747 120.400 0.002 0.000 2.373 3214 K HA 0.094 4.400 4.320 -0.023 0.000 0.202 3214 K C 0.115 176.716 176.600 0.002 0.000 1.025 3214 K CA -0.293 55.975 56.287 -0.032 0.000 1.115 3214 K CB 0.262 32.738 32.500 -0.040 0.000 0.858 3214 K HN -0.105 nan 8.250 nan 0.000 0.525 3215 D N 3.153 123.608 120.400 0.092 0.000 2.316 3215 D HA 0.103 4.729 4.640 -0.023 0.000 0.245 3215 D C -1.408 174.971 176.300 0.132 0.000 1.171 3215 D CA -2.427 51.651 54.000 0.130 0.000 0.856 3215 D CB 1.776 42.720 40.800 0.240 0.000 1.090 3215 D HN 0.012 nan 8.370 nan 0.000 0.476 3216 P HA -0.080 nan 4.420 nan 0.000 0.228 3216 P C 0.750 177.906 177.300 -0.240 0.000 1.151 3216 P CA 0.570 63.513 63.100 -0.261 0.000 0.770 3216 P CB 0.049 31.431 31.700 -0.529 0.000 0.786 3217 F N -2.359 117.663 119.950 0.120 0.000 2.727 3217 F HA 0.215 4.728 4.527 -0.023 0.000 0.302 3217 F C 1.613 177.546 175.800 0.222 0.000 1.097 3217 F CA -1.485 56.556 58.000 0.068 0.000 1.330 3217 F CB -1.212 37.700 39.000 -0.147 0.000 1.084 3217 F HN -0.144 nan 8.300 nan 0.000 0.578 3221 L N 0.416 121.516 121.223 -0.205 0.000 2.416 3221 L HA 0.353 4.679 4.340 -0.023 0.000 0.272 3221 L C -0.210 176.649 176.870 -0.018 0.000 1.161 3221 L CA -0.173 54.613 54.840 -0.091 0.000 0.845 3221 L CB 0.208 42.262 42.059 -0.008 0.000 1.119 3221 L HN 0.480 nan 8.230 nan 0.000 0.464 3222 Y N 3.910 124.265 120.300 0.092 0.000 2.636 3222 Y HA 0.315 4.851 4.550 -0.023 0.000 0.334 3222 Y C 0.439 176.355 175.900 0.027 0.000 1.286 3222 Y CA -0.256 57.888 58.100 0.074 0.000 1.688 3222 Y CB -0.179 38.306 38.460 0.042 0.000 1.662 3222 Y HN 0.576 nan 8.280 nan 0.000 0.465 3223 Q N -0.096 119.782 119.800 0.130 0.000 2.522 3223 Q HA 0.445 4.771 4.340 -0.023 0.000 0.285 3223 Q C -1.348 174.673 176.000 0.034 0.000 0.982 3223 Q CA -1.456 54.392 55.803 0.074 0.000 0.805 3223 Q CB 1.472 30.250 28.738 0.067 0.000 1.457 3223 Q HN -0.000 nan 8.270 nan 0.000 0.394 3224 K N 1.180 121.590 120.400 0.016 0.000 2.187 3224 K HA 0.261 4.567 4.320 -0.023 0.000 0.247 3224 K C -0.093 176.507 176.600 0.000 0.000 1.019 3224 K CA -0.267 56.017 56.287 -0.006 0.000 0.893 3224 K CB 0.341 32.836 32.500 -0.009 0.000 1.025 3224 K HN 0.568 nan 8.250 nan 0.000 0.500 3225 R N 1.578 122.067 120.500 -0.017 0.000 2.522 3225 R HA -0.044 4.282 4.340 -0.023 0.000 0.284 3225 R C 0.218 176.514 176.300 -0.007 0.000 1.032 3225 R CA 0.004 56.094 56.100 -0.018 0.000 1.049 3225 R CB 0.233 30.497 30.300 -0.061 0.000 0.956 3225 R HN 0.467 nan 8.270 nan 0.000 0.422 3226 D N 2.768 123.186 120.400 0.031 0.000 2.336 3226 D HA 0.030 4.656 4.640 -0.023 0.000 0.249 3226 D C 0.128 176.450 176.300 0.036 0.000 1.213 3226 D CA 0.026 54.062 54.000 0.061 0.000 0.870 3226 D CB 0.662 41.533 40.800 0.119 0.000 1.076 3226 D HN 0.417 nan 8.370 nan 0.000 0.483 3227 R N 1.960 122.464 120.500 0.007 0.000 2.468 3227 R HA 0.113 4.439 4.340 -0.023 0.000 0.280 3227 R C 0.936 177.276 176.300 0.066 0.000 0.963 3227 R CA -0.262 55.822 56.100 -0.027 0.000 1.083 3227 R CB 0.542 30.805 30.300 -0.061 0.000 1.200 3227 R HN 0.465 nan 8.270 nan 0.000 0.541 3228 T N -2.280 112.337 114.554 0.106 0.000 2.771 3228 T HA -0.025 4.311 4.350 -0.023 0.000 0.290 3228 T C 1.251 176.057 174.700 0.176 0.000 1.005 3228 T CA -0.506 61.663 62.100 0.115 0.000 0.944 3228 T CB 0.914 69.838 68.868 0.094 0.000 1.147 3228 T HN -0.090 nan 8.240 nan 0.000 0.534 3229 Q N -0.162 119.726 119.800 0.147 0.000 2.291 3229 Q HA -0.110 4.216 4.340 -0.023 0.000 0.206 3229 Q C 2.303 178.409 176.000 0.177 0.000 0.976 3229 Q CA 1.597 57.498 55.803 0.162 0.000 0.875 3229 Q CB -0.694 28.113 28.738 0.115 0.000 0.927 3229 Q HN 0.778 nan 8.270 nan 0.000 0.450 3230 Q N -1.492 118.406 119.800 0.163 0.000 2.226 3230 Q HA -0.208 4.118 4.340 -0.023 0.000 0.204 3230 Q C 1.457 177.572 176.000 0.192 0.000 0.975 3230 Q CA 1.408 57.300 55.803 0.149 0.000 0.866 3230 Q CB -0.224 28.590 28.738 0.126 0.000 0.915 3230 Q HN 0.558 nan 8.270 nan 0.000 0.440 3231 Y N 1.873 122.255 120.300 0.137 0.000 2.133 3231 Y HA -0.226 4.310 4.550 -0.023 0.000 0.287 3231 Y C 1.439 177.484 175.900 0.241 0.000 1.134 3231 Y CA 1.973 60.181 58.100 0.180 0.000 1.133 3231 Y CB -0.129 38.453 38.460 0.203 0.000 0.987 3231 Y HN 0.071 nan 8.280 nan 0.000 0.502 3232 D N 0.089 120.651 120.400 0.270 0.000 2.178 3232 D HA -0.158 4.468 4.640 -0.023 0.000 0.201 3232 D C 1.680 178.054 176.300 0.122 0.000 0.980 3232 D CA 1.592 55.737 54.000 0.241 0.000 0.842 3232 D CB -0.332 40.666 40.800 0.331 0.000 0.948 3232 D HN 0.426 nan 8.370 nan 0.000 0.472 3233 D N -0.198 120.268 120.400 0.110 0.000 2.144 3233 D HA -0.095 4.531 4.640 -0.023 0.000 0.200 3233 D C 2.051 178.374 176.300 0.038 0.000 0.978 3233 D CA 0.278 54.326 54.000 0.079 0.000 0.833 3233 D CB -0.190 40.657 40.800 0.078 0.000 0.961 3233 D HN 0.149 nan 8.370 nan 0.000 0.470 3234 L N 0.824 122.050 121.223 0.006 0.000 2.027 3234 L HA -0.111 4.215 4.340 -0.023 0.000 0.206 3234 L C 2.019 178.862 176.870 -0.045 0.000 1.074 3234 L CA 1.165 55.993 54.840 -0.021 0.000 0.745 3234 L CB -0.338 41.699 42.059 -0.037 0.000 0.898 3234 L HN -0.065 nan 8.230 nan 0.000 0.433 3235 I N -0.311 120.178 120.570 -0.136 0.000 2.286 3235 I HA -0.271 3.885 4.170 -0.023 0.000 0.248 3235 I C 2.155 178.231 176.117 -0.069 0.000 1.115 3235 I CA 1.264 62.472 61.300 -0.154 0.000 1.392 3235 I CB -1.436 36.297 38.000 -0.446 0.000 1.065 3235 I HN 0.336 nan 8.210 nan 0.000 0.418 3236 D N 0.530 120.935 120.400 0.009 0.000 2.117 3236 D HA -0.208 4.418 4.640 -0.023 0.000 0.198 3236 D C 2.122 178.409 176.300 -0.021 0.000 0.982 3236 D CA 1.106 55.138 54.000 0.053 0.000 0.828 3236 D CB -0.013 40.873 40.800 0.143 0.000 0.967 3236 D HN 0.451 nan 8.370 nan 0.000 0.464 3237 E N -0.715 119.487 120.200 0.003 0.000 2.150 3237 E HA -0.144 4.192 4.350 -0.023 0.000 0.193 3237 E C 0.934 177.521 176.600 -0.021 0.000 0.985 3237 E CA 0.036 56.433 56.400 -0.006 0.000 0.814 3237 E CB -0.004 29.702 29.700 0.011 0.000 0.752 3237 E HN 0.071 nan 8.360 nan 0.000 0.466 3241 A N 2.035 124.737 122.820 -0.197 0.000 1.902 3241 A HA -0.062 4.244 4.320 -0.023 0.000 0.217 3241 A C 1.892 179.348 177.584 -0.213 0.000 1.181 3241 A CA 1.364 53.307 52.037 -0.156 0.000 0.623 3241 A CB -0.417 18.531 19.000 -0.087 0.000 0.818 3241 A HN 0.305 nan 8.150 nan 0.000 0.443 3242 I N 0.867 121.232 120.570 -0.341 0.000 2.179 3242 I HA -0.198 3.958 4.170 -0.023 0.000 0.242 3242 I C 2.813 178.819 176.117 -0.185 0.000 1.088 3242 I CA 2.336 63.463 61.300 -0.289 0.000 1.357 3242 I CB -1.618 36.054 38.000 -0.547 0.000 1.051 3242 I HN 0.574 nan 8.210 nan 0.000 0.409 3243 T N -2.369 112.044 114.554 -0.236 0.000 2.951 3243 T HA -0.104 4.232 4.350 -0.023 0.000 0.268 3243 T C 1.536 176.204 174.700 -0.055 0.000 1.073 3243 T CA 0.922 62.964 62.100 -0.096 0.000 1.134 3243 T CB -0.267 68.592 68.868 -0.014 0.000 0.884 3243 T HN 0.141 nan 8.240 nan 0.000 0.479 3244 D N 1.193 121.539 120.400 -0.089 0.000 2.178 3244 D HA -0.026 4.600 4.640 -0.023 0.000 0.202 3244 D C 2.221 178.455 176.300 -0.111 0.000 0.974 3244 D CA 0.830 54.786 54.000 -0.073 0.000 0.841 3244 D CB -0.191 40.566 40.800 -0.071 0.000 0.953 3244 D HN 0.471 nan 8.370 nan 0.000 0.478 3245 R N -0.946 119.428 120.500 -0.210 0.000 2.112 3245 R HA -0.008 4.318 4.340 -0.023 0.000 0.216 3245 R C 1.410 177.493 176.300 -0.361 0.000 1.080 3245 R CA 0.597 56.478 56.100 -0.365 0.000 0.996 3245 R CB 0.102 30.013 30.300 -0.650 0.000 0.902 3245 R HN 0.226 nan 8.270 nan 0.000 0.449 3246 Y N -0.673 119.608 120.300 -0.032 0.000 2.444 3246 Y HA 0.371 4.907 4.550 -0.024 0.000 0.249 3246 Y C 0.569 176.454 175.900 -0.025 0.000 1.134 3246 Y CA 0.006 58.089 58.100 -0.028 0.000 1.261 3246 Y CB 1.610 40.023 38.460 -0.079 0.000 1.143 3246 Y HN 0.302 nan 8.280 nan 0.000 0.523 3247 G N 0.491 109.348 108.800 0.094 0.000 2.525 3247 G HA2 -0.156 3.790 3.960 -0.023 0.000 0.685 3247 G HA3 -0.156 3.790 3.960 -0.023 0.000 0.685 3247 G C -0.301 174.624 174.900 0.041 0.000 1.285 3247 G CA -0.730 44.407 45.100 0.063 0.000 0.849 3247 G HN 0.127 nan 8.290 nan 0.000 0.653 3248 R N 0.450 120.971 120.500 0.034 0.000 2.189 3248 R HA -0.038 4.288 4.340 -0.023 0.000 0.218 3248 R C 2.182 178.497 176.300 0.025 0.000 1.074 3248 R CA 1.695 57.827 56.100 0.054 0.000 0.991 3248 R CB -0.034 30.274 30.300 0.014 0.000 0.883 3248 R HN 0.588 nan 8.270 nan 0.000 0.457 3249 N N -0.889 117.803 118.700 -0.013 0.000 2.268 3249 N HA -0.032 4.694 4.740 -0.023 0.000 0.204 3249 N C -0.707 174.797 175.510 -0.009 0.000 1.124 3249 N CA 0.059 53.087 53.050 -0.037 0.000 0.838 3249 N CB 0.098 38.554 38.487 -0.052 0.000 0.994 3249 N HN -0.176 nan 8.380 nan 0.000 0.489 3250 T N 2.162 116.711 114.554 -0.009 0.000 2.867 3250 T HA 0.033 4.369 4.350 -0.023 0.000 0.297 3250 T C 0.236 174.921 174.700 -0.024 0.000 0.989 3250 T CA -0.338 61.739 62.100 -0.038 0.000 1.159 3250 T CB 0.517 69.350 68.868 -0.057 0.000 0.928 3250 T HN 0.210 nan 8.240 nan 0.000 0.538 3251 L N 6.067 127.293 121.223 0.004 0.000 2.410 3251 L HA 0.299 4.625 4.340 -0.023 0.000 0.273 3251 L C -0.624 176.260 176.870 0.022 0.000 1.144 3251 L CA 0.223 55.109 54.840 0.078 0.000 0.863 3251 L CB -0.071 42.085 42.059 0.162 0.000 1.140 3251 L HN 0.471 nan 8.230 nan 0.000 0.463 3252 I N 5.732 126.322 120.570 0.034 0.000 2.390 3252 I HA 0.280 4.436 4.170 -0.023 0.000 0.283 3252 I C -0.214 175.873 176.117 -0.049 0.000 1.016 3252 I CA -0.249 61.015 61.300 -0.059 0.000 1.151 3252 I CB 1.209 39.145 38.000 -0.106 0.000 1.293 3252 I HN 0.698 nan 8.210 nan 0.000 0.458 3253 Q N 5.896 125.578 119.800 -0.196 0.000 2.340 3253 Q HA 0.419 4.745 4.340 -0.023 0.000 0.259 3253 Q C -1.470 174.346 176.000 -0.306 0.000 0.964 3253 Q CA -0.523 55.005 55.803 -0.458 0.000 0.900 3253 Q CB 1.039 29.503 28.738 -0.457 0.000 1.228 3253 Q HN 0.338 nan 8.270 nan 0.000 0.449 3254 F N 2.660 122.372 119.950 -0.397 0.000 2.412 3254 F HA 0.292 4.805 4.527 -0.023 0.000 0.348 3254 F C 0.316 176.048 175.800 -0.114 0.000 1.102 3254 F CA -0.178 57.701 58.000 -0.202 0.000 1.196 3254 F CB 1.283 40.096 39.000 -0.312 0.000 1.144 3254 F HN 0.560 nan 8.300 nan 0.000 0.541 3255 E N 1.680 121.994 120.200 0.191 0.000 2.278 3255 E HA 0.316 4.652 4.350 -0.023 0.000 0.272 3255 E C -1.224 175.469 176.600 0.155 0.000 0.890 3255 E CA -0.537 55.920 56.400 0.096 0.000 0.770 3255 E CB 0.866 30.528 29.700 -0.062 0.000 1.212 3255 E HN 0.487 nan 8.360 nan 0.000 0.415 3256 D N 2.363 122.832 120.400 0.116 0.000 2.723 3256 D HA -0.221 4.405 4.640 -0.023 0.000 0.236 3256 D C -0.778 175.555 176.300 0.055 0.000 1.138 3256 D CA 0.908 54.941 54.000 0.055 0.000 0.676 3256 D CB -1.388 39.390 40.800 -0.037 0.000 1.069 3256 D HN 0.234 nan 8.370 nan 0.000 0.430 3257 F N 0.545 120.525 119.950 0.050 0.000 2.370 3257 F HA 0.546 5.059 4.527 -0.022 0.000 0.319 3257 F C 1.979 177.814 175.800 0.060 0.000 1.129 3257 F CA 0.154 58.221 58.000 0.112 0.000 1.109 3257 F CB 0.625 39.771 39.000 0.243 0.000 1.262 3257 F HN -0.044 nan 8.300 nan 0.000 0.534 3258 G N 0.910 109.850 108.800 0.234 0.000 2.594 3258 G HA2 -0.043 3.903 3.960 -0.023 0.000 0.243 3258 G HA3 -0.043 3.903 3.960 -0.023 0.000 0.243 3258 G C 0.896 175.882 174.900 0.144 0.000 1.229 3258 G CA -0.388 44.793 45.100 0.134 0.000 0.843 3258 G HN 0.731 nan 8.290 nan 0.000 0.578 3259 N N -0.088 118.685 118.700 0.120 0.000 2.094 3259 N HA -0.242 4.484 4.740 -0.023 0.000 0.191 3259 N C 1.764 177.410 175.510 0.227 0.000 1.023 3259 N CA 1.927 55.075 53.050 0.164 0.000 0.857 3259 N CB -0.262 38.319 38.487 0.157 0.000 1.013 3259 N HN 0.750 nan 8.380 nan 0.000 0.426 3260 H N 0.723 119.838 119.070 0.074 0.000 2.276 3260 H HA 0.068 4.611 4.556 -0.023 0.000 0.301 3260 H C 1.694 177.006 175.328 -0.027 0.000 1.073 3260 H CA 2.414 58.483 56.048 0.035 0.000 1.311 3260 H CB -0.606 29.148 29.762 -0.012 0.000 1.379 3260 H HN 0.381 nan 8.280 nan 0.000 0.494 3261 N N -0.018 118.584 118.700 -0.164 0.000 2.205 3261 N HA -0.155 4.571 4.740 -0.023 0.000 0.186 3261 N C 2.008 177.318 175.510 -0.334 0.000 1.015 3261 N CA 0.754 53.553 53.050 -0.419 0.000 0.862 3261 N CB -0.120 38.402 38.487 0.059 0.000 0.986 3261 N HN 0.460 nan 8.380 nan 0.000 0.429 3262 A N 1.197 123.966 122.820 -0.085 0.000 1.841 3262 A HA -0.169 4.137 4.320 -0.023 0.000 0.216 3262 A C 1.848 179.224 177.584 -0.347 0.000 1.199 3262 A CA 1.381 53.305 52.037 -0.188 0.000 0.621 3262 A CB -1.083 17.771 19.000 -0.244 0.000 0.835 3262 A HN 0.222 nan 8.150 nan 0.000 0.445 3263 F N 0.462 120.244 119.950 -0.281 0.000 2.102 3263 F HA -0.182 4.330 4.527 -0.024 0.000 0.298 3263 F C 2.651 178.309 175.800 -0.238 0.000 1.105 3263 F CA 1.858 59.654 58.000 -0.339 0.000 1.239 3263 F CB -0.318 38.309 39.000 -0.622 0.000 0.991 3263 F HN 0.319 nan 8.300 nan 0.000 0.474 3264 R N -0.138 120.284 120.500 -0.130 0.000 2.148 3264 R HA -0.145 4.181 4.340 -0.023 0.000 0.227 3264 R C 1.972 178.148 176.300 -0.206 0.000 1.103 3264 R CA 1.641 57.618 56.100 -0.205 0.000 0.983 3264 R CB -1.326 28.726 30.300 -0.414 0.000 0.874 3264 R HN 0.284 nan 8.270 nan 0.000 0.451 3265 F N 0.703 120.489 119.950 -0.273 0.000 2.234 3265 F HA -0.054 4.459 4.527 -0.024 0.000 0.296 3265 F C 2.217 177.751 175.800 -0.443 0.000 1.089 3265 F CA -0.109 57.651 58.000 -0.399 0.000 1.343 3265 F CB -0.003 38.713 39.000 -0.473 0.000 1.040 3265 F HN 0.023 nan 8.300 nan 0.000 0.498 3266 L N 1.046 122.135 121.223 -0.223 0.000 2.017 3266 L HA -0.180 4.146 4.340 -0.023 0.000 0.208 3266 L C 2.425 179.267 176.870 -0.047 0.000 1.073 3266 L CA 1.775 56.505 54.840 -0.183 0.000 0.745 3266 L CB -0.799 41.159 42.059 -0.169 0.000 0.894 3266 L HN -0.012 nan 8.230 nan 0.000 0.432 3267 R N -0.365 120.126 120.500 -0.015 0.000 2.081 3267 R HA -0.210 4.116 4.340 -0.023 0.000 0.235 3267 R C 2.476 178.748 176.300 -0.047 0.000 1.131 3267 R CA 1.797 57.910 56.100 0.022 0.000 0.960 3267 R CB -0.270 30.079 30.300 0.082 0.000 0.856 3267 R HN 0.430 nan 8.270 nan 0.000 0.436 3268 K N -0.710 119.600 120.400 -0.150 0.000 2.097 3268 K HA -0.168 4.138 4.320 -0.023 0.000 0.205 3268 K C 1.092 177.506 176.600 -0.310 0.000 1.050 3268 K CA 1.581 57.684 56.287 -0.306 0.000 0.938 3268 K CB 0.030 32.212 32.500 -0.531 0.000 0.718 3268 K HN 0.343 nan 8.250 nan 0.000 0.442 3269 Y N -0.134 120.202 120.300 0.060 0.000 2.462 3269 Y HA 0.120 4.655 4.550 -0.024 0.000 0.253 3269 Y C 1.942 177.924 175.900 0.136 0.000 1.095 3269 Y CA -0.249 57.927 58.100 0.127 0.000 1.283 3269 Y CB 0.279 38.850 38.460 0.186 0.000 1.138 3269 Y HN 0.022 nan 8.280 nan 0.000 0.522 3270 R N 1.241 121.871 120.500 0.217 0.000 2.211 3270 R HA -0.187 4.139 4.340 -0.023 0.000 0.240 3270 R C 0.692 177.109 176.300 0.195 0.000 1.144 3270 R CA 2.036 58.266 56.100 0.218 0.000 0.992 3270 R CB -0.443 29.952 30.300 0.159 0.000 0.869 3270 R HN 0.396 nan 8.270 nan 0.000 0.462 3271 E N -0.295 119.938 120.200 0.055 0.000 2.498 3271 E HA 0.109 4.445 4.350 -0.023 0.000 0.203 3271 E C 0.959 177.420 176.600 -0.231 0.000 1.013 3271 E CA -0.179 56.084 56.400 -0.228 0.000 0.927 3271 E CB 0.624 30.206 29.700 -0.196 0.000 1.012 3271 E HN 0.252 nan 8.360 nan 0.000 0.482 3272 K N -0.275 120.140 120.400 0.025 0.000 2.329 3272 K HA 0.151 4.457 4.320 -0.023 0.000 0.198 3272 K C 0.263 176.735 176.600 -0.214 0.000 1.085 3272 K CA 0.665 56.863 56.287 -0.148 0.000 0.961 3272 K CB 0.660 32.962 32.500 -0.329 0.000 0.971 3272 K HN 0.014 nan 8.250 nan 0.000 0.502 3273 Y N -1.022 119.435 120.300 0.261 0.000 2.662 3273 Y HA 0.265 4.801 4.550 -0.023 0.000 0.335 3273 Y C -0.018 175.949 175.900 0.111 0.000 1.066 3273 Y CA -1.266 56.898 58.100 0.106 0.000 1.116 3273 Y CB 1.215 39.682 38.460 0.011 0.000 1.308 3273 Y HN -0.153 nan 8.280 nan 0.000 0.502 3274 C N 2.172 121.586 119.300 0.191 0.000 2.145 3274 C HA 0.596 5.042 4.460 -0.023 0.000 0.374 3274 C C 0.027 175.154 174.990 0.229 0.000 1.035 3274 C CA 0.162 59.260 59.018 0.134 0.000 1.431 3274 C CB -2.198 25.569 27.740 0.045 0.000 1.789 3274 C HN 0.691 nan 8.230 nan 0.000 0.483 3275 T N 4.207 118.945 114.554 0.306 0.000 2.896 3275 T HA 0.830 5.167 4.350 -0.023 0.000 0.297 3275 T C -1.073 173.877 174.700 0.417 0.000 1.108 3275 T CA -0.375 61.917 62.100 0.320 0.000 1.004 3275 T CB 1.337 70.370 68.868 0.275 0.000 1.159 3275 T HN 0.892 nan 8.240 nan 0.000 0.499 3276 F N 1.443 121.527 119.950 0.223 0.000 2.693 3276 F HA 0.618 5.132 4.527 -0.021 0.000 0.309 3276 F C -1.377 174.502 175.800 0.131 0.000 1.129 3276 F CA -1.165 56.941 58.000 0.176 0.000 0.948 3276 F CB 1.320 40.514 39.000 0.323 0.000 1.315 3276 F HN 0.470 nan 8.300 nan 0.000 0.447 3277 N N 2.293 121.025 118.700 0.053 0.000 2.469 3277 N HA 0.120 4.846 4.740 -0.023 0.000 0.253 3277 N C -0.019 175.521 175.510 0.050 0.000 0.970 3277 N CA -0.057 52.943 53.050 -0.082 0.000 0.940 3277 N CB 1.463 39.850 38.487 -0.167 0.000 1.128 3277 N HN 0.975 nan 8.380 nan 0.000 0.503 3278 D N 2.751 123.151 120.400 -0.001 0.000 2.182 3278 D HA -0.148 4.478 4.640 -0.023 0.000 0.201 3278 D C 0.734 177.111 176.300 0.129 0.000 0.986 3278 D CA 1.411 55.556 54.000 0.241 0.000 0.847 3278 D CB 0.394 41.260 40.800 0.110 0.000 0.942 3278 D HN 0.553 nan 8.370 nan 0.000 0.467 3279 D N -0.464 119.952 120.400 0.027 0.000 2.144 3279 D HA -0.084 4.542 4.640 -0.023 0.000 0.200 3279 D C 2.255 178.516 176.300 -0.066 0.000 0.978 3279 D CA 0.662 54.658 54.000 -0.007 0.000 0.833 3279 D CB 0.160 40.939 40.800 -0.034 0.000 0.961 3279 D HN 0.381 nan 8.370 nan 0.000 0.470 3280 I N 0.733 121.211 120.570 -0.155 0.000 2.260 3280 I HA -0.208 3.948 4.170 -0.023 0.000 0.237 3280 I C 2.450 178.467 176.117 -0.166 0.000 1.075 3280 I CA 0.914 62.086 61.300 -0.214 0.000 1.376 3280 I CB -0.167 37.607 38.000 -0.377 0.000 1.107 3280 I HN -0.153 nan 8.210 nan 0.000 0.420 3281 Q N 0.606 120.253 119.800 -0.254 0.000 2.163 3281 Q HA -0.003 4.323 4.340 -0.023 0.000 0.198 3281 Q C 2.305 177.994 176.000 -0.519 0.000 0.954 3281 Q CA 1.292 56.749 55.803 -0.576 0.000 0.851 3281 Q CB -0.287 27.762 28.738 -1.149 0.000 0.928 3281 Q HN 0.586 nan 8.270 nan 0.000 0.459 3282 G N 0.418 109.134 108.800 -0.140 0.000 2.402 3282 G HA2 -0.217 3.729 3.960 -0.023 0.000 0.216 3282 G HA3 -0.217 3.729 3.960 -0.023 0.000 0.216 3282 G C 1.383 176.390 174.900 0.179 0.000 1.162 3282 G CA 1.301 46.512 45.100 0.185 0.000 0.777 3282 G HN 0.257 nan 8.290 nan 0.000 0.539 3283 T N 1.833 116.462 114.554 0.125 0.000 2.777 3283 T HA 0.048 4.384 4.350 -0.023 0.000 0.266 3283 T C 2.817 177.599 174.700 0.137 0.000 1.040 3283 T CA 1.374 63.553 62.100 0.132 0.000 1.141 3283 T CB -0.392 68.536 68.868 0.099 0.000 0.868 3283 T HN 0.359 nan 8.240 nan 0.000 0.444 3284 A N 1.852 124.726 122.820 0.089 0.000 1.892 3284 A HA 0.018 4.324 4.320 -0.023 0.000 0.218 3284 A C 2.699 180.382 177.584 0.164 0.000 1.188 3284 A CA 2.117 54.223 52.037 0.116 0.000 0.631 3284 A CB -1.302 17.729 19.000 0.051 0.000 0.822 3284 A HN 0.533 nan 8.150 nan 0.000 0.447 3285 A N -1.060 121.865 122.820 0.175 0.000 1.883 3285 A HA -0.042 4.264 4.320 -0.023 0.000 0.217 3285 A C 2.357 180.066 177.584 0.209 0.000 1.186 3285 A CA 1.916 54.082 52.037 0.215 0.000 0.624 3285 A CB -1.068 18.111 19.000 0.297 0.000 0.822 3285 A HN 0.777 nan 8.150 nan 0.000 0.444 3286 V N -0.543 119.497 119.914 0.211 0.000 2.548 3286 V HA -0.045 4.061 4.120 -0.023 0.000 0.249 3286 V C 2.754 179.036 176.094 0.313 0.000 1.055 3286 V CA 1.902 64.335 62.300 0.223 0.000 1.065 3286 V CB -0.541 31.354 31.823 0.120 0.000 0.681 3286 V HN 0.602 nan 8.190 nan 0.000 0.462 3287 A N -0.100 122.892 122.820 0.287 0.000 1.855 3287 A HA -0.170 4.136 4.320 -0.023 0.000 0.215 3287 A C 2.103 179.916 177.584 0.381 0.000 1.191 3287 A CA 2.040 54.310 52.037 0.389 0.000 0.613 3287 A CB -0.762 18.454 19.000 0.360 0.000 0.829 3287 A HN 0.541 nan 8.150 nan 0.000 0.442 3288 L N -0.176 121.207 121.223 0.267 0.000 2.131 3288 L HA -0.073 4.253 4.340 -0.023 0.000 0.210 3288 L C 2.559 179.528 176.870 0.165 0.000 1.092 3288 L CA 2.140 57.099 54.840 0.198 0.000 0.759 3288 L CB -0.610 41.547 42.059 0.163 0.000 0.903 3288 L HN 0.339 nan 8.230 nan 0.000 0.435 3289 A N -0.639 122.290 122.820 0.181 0.000 1.969 3289 A HA -0.015 4.291 4.320 -0.023 0.000 0.218 3289 A C 2.312 179.880 177.584 -0.028 0.000 1.169 3289 A CA 1.353 53.453 52.037 0.104 0.000 0.635 3289 A CB -1.416 17.683 19.000 0.165 0.000 0.810 3289 A HN 0.522 nan 8.150 nan 0.000 0.445 3290 G N -0.301 108.523 108.800 0.040 0.000 2.403 3290 G HA2 -0.075 3.871 3.960 -0.023 0.000 0.216 3290 G HA3 -0.075 3.871 3.960 -0.023 0.000 0.216 3290 G C 1.511 176.499 174.900 0.147 0.000 1.154 3290 G CA 0.868 45.885 45.100 -0.137 0.000 0.784 3290 G HN 0.421 nan 8.290 nan 0.000 0.538 3291 L N -0.084 121.257 121.223 0.196 0.000 2.093 3291 L HA 0.071 4.397 4.340 -0.023 0.000 0.208 3291 L C 2.804 179.703 176.870 0.049 0.000 1.085 3291 L CA 0.403 55.282 54.840 0.064 0.000 0.755 3291 L CB -0.340 41.742 42.059 0.037 0.000 0.904 3291 L HN 0.174 nan 8.230 nan 0.000 0.435 3292 L N -0.409 120.839 121.223 0.042 0.000 2.141 3292 L HA -0.143 4.183 4.340 -0.023 0.000 0.209 3292 L C 2.787 179.657 176.870 0.001 0.000 1.094 3292 L CA 0.936 55.789 54.840 0.022 0.000 0.763 3292 L CB -0.541 41.530 42.059 0.020 0.000 0.908 3292 L HN 0.231 nan 8.230 nan 0.000 0.437 3293 A N -0.186 122.612 122.820 -0.036 0.000 1.930 3293 A HA -0.022 4.284 4.320 -0.023 0.000 0.215 3293 A C 2.526 180.105 177.584 -0.009 0.000 1.176 3293 A CA 1.234 53.238 52.037 -0.055 0.000 0.632 3293 A CB -0.522 18.383 19.000 -0.159 0.000 0.819 3293 A HN 0.346 nan 8.150 nan 0.000 0.445 3294 A N -0.665 122.164 122.820 0.016 0.000 1.940 3294 A HA -0.221 4.085 4.320 -0.023 0.000 0.219 3294 A C 2.075 179.685 177.584 0.043 0.000 1.176 3294 A CA 2.033 54.095 52.037 0.041 0.000 0.631 3294 A CB -0.502 18.520 19.000 0.037 0.000 0.814 3294 A HN 0.512 nan 8.150 nan 0.000 0.446 3295 Q N -0.475 119.357 119.800 0.054 0.000 2.500 3295 Q HA -0.077 4.249 4.340 -0.023 0.000 0.213 3295 Q C 1.616 177.646 176.000 0.050 0.000 0.974 3295 Q CA 1.537 57.386 55.803 0.077 0.000 0.918 3295 Q CB -0.259 28.530 28.738 0.085 0.000 0.980 3295 Q HN 0.534 nan 8.270 nan 0.000 0.505 3296 K N -1.806 118.615 120.400 0.035 0.000 2.418 3296 K HA 0.073 4.379 4.320 -0.023 0.000 0.195 3296 K C 0.700 177.319 176.600 0.033 0.000 1.035 3296 K CA 0.620 56.924 56.287 0.027 0.000 1.003 3296 K CB 0.527 33.036 32.500 0.016 0.000 0.793 3296 K HN 0.130 nan 8.250 nan 0.000 0.494 3297 V N -0.154 119.784 119.914 0.040 0.000 3.562 3297 V HA 0.092 4.198 4.120 -0.023 0.000 0.270 3297 V C 1.282 177.400 176.094 0.040 0.000 1.418 3297 V CA 0.072 62.398 62.300 0.043 0.000 1.033 3297 V CB 0.237 32.093 31.823 0.057 0.000 0.820 3297 V HN 0.083 nan 8.190 nan 0.000 0.441 3298 I N -0.257 120.336 120.570 0.040 0.000 2.726 3298 I HA 0.135 4.291 4.170 -0.023 0.000 0.243 3298 I C 2.032 178.178 176.117 0.047 0.000 1.082 3298 I CA 1.494 62.813 61.300 0.032 0.000 1.447 3298 I CB -0.678 37.333 38.000 0.017 0.000 1.250 3298 I HN 0.419 nan 8.210 nan 0.000 0.453 3299 S N 0.161 115.904 115.700 0.072 0.000 2.675 3299 S HA -0.232 4.224 4.470 -0.023 0.000 0.258 3299 S C 0.587 175.247 174.600 0.100 0.000 1.282 3299 S CA 1.073 59.317 58.200 0.073 0.000 1.471 3299 S CB -1.376 61.852 63.200 0.045 0.000 1.848 3299 S HN 0.483 nan 8.310 nan 0.000 0.655 3300 K N 1.840 122.311 120.400 0.118 0.000 2.508 3300 K HA 0.083 4.389 4.320 -0.023 0.000 0.273 3300 K C -2.463 174.267 176.600 0.218 0.000 0.964 3300 K CA -0.212 56.154 56.287 0.131 0.000 0.948 3300 K CB -0.278 32.265 32.500 0.070 0.000 0.917 3300 K HN 0.255 nan 8.250 nan 0.000 0.512 3301 P HA -0.059 nan 4.420 nan 0.000 0.264 3301 P C 0.442 177.826 177.300 0.140 0.000 1.193 3301 P CA 0.045 63.203 63.100 0.097 0.000 0.763 3301 P CB 0.372 32.113 31.700 0.067 0.000 0.810 3302 I N 3.604 124.118 120.570 -0.095 0.000 2.700 3302 I HA -0.242 3.914 4.170 -0.023 0.000 0.261 3302 I C 1.812 177.929 176.117 -0.000 0.000 1.219 3302 I CA 1.659 62.770 61.300 -0.315 0.000 1.463 3302 I CB -0.600 37.224 38.000 -0.294 0.000 1.092 3302 I HN 0.314 nan 8.210 nan 0.000 0.452 3303 S N -0.489 115.243 115.700 0.052 0.000 2.383 3303 S HA -0.122 4.334 4.470 -0.023 0.000 0.227 3303 S C 1.613 176.277 174.600 0.106 0.000 1.026 3303 S CA 0.956 59.195 58.200 0.064 0.000 0.981 3303 S CB -0.596 62.629 63.200 0.043 0.000 0.818 3303 S HN 0.616 nan 8.310 nan 0.000 0.472 3304 E N 0.647 120.936 120.200 0.148 0.000 2.368 3304 E HA 0.113 4.449 4.350 -0.023 0.000 0.188 3304 E C -0.783 175.891 176.600 0.123 0.000 1.061 3304 E CA -0.106 56.362 56.400 0.113 0.000 0.933 3304 E CB 0.018 29.758 29.700 0.066 0.000 1.091 3304 E HN 0.604 nan 8.360 nan 0.000 0.458 3305 H N 1.273 120.354 119.070 0.018 0.000 2.761 3305 H HA 0.205 4.748 4.556 -0.022 0.000 0.284 3305 H C -0.392 174.961 175.328 0.042 0.000 1.105 3305 H CA -0.187 55.870 56.048 0.015 0.000 1.352 3305 H CB 0.519 30.289 29.762 0.014 0.000 1.423 3305 H HN -0.126 nan 8.280 nan 0.000 0.464 3306 K N 4.341 124.786 120.400 0.075 0.000 2.339 3306 K HA 0.341 4.647 4.320 -0.023 0.000 0.264 3306 K C -1.203 175.448 176.600 0.084 0.000 0.986 3306 K CA -0.584 55.776 56.287 0.122 0.000 0.866 3306 K CB 0.535 33.089 32.500 0.089 0.000 1.103 3306 K HN 0.394 nan 8.250 nan 0.000 0.441 3307 I N 5.547 126.207 120.570 0.150 0.000 2.354 3307 I HA 0.340 4.496 4.170 -0.023 0.000 0.292 3307 I C -0.890 175.311 176.117 0.141 0.000 0.989 3307 I CA -1.069 60.255 61.300 0.040 0.000 1.188 3307 I CB 0.918 38.896 38.000 -0.037 0.000 1.342 3307 I HN 0.576 nan 8.210 nan 0.000 0.457 3308 L N 7.275 128.526 121.223 0.047 0.000 2.349 3308 L HA 0.586 4.912 4.340 -0.023 0.000 0.278 3308 L C -1.354 175.653 176.870 0.228 0.000 0.996 3308 L CA -0.091 54.879 54.840 0.217 0.000 0.825 3308 L CB 1.226 43.352 42.059 0.113 0.000 1.243 3308 L HN 0.212 nan 8.230 nan 0.000 0.412 3309 F N 5.011 125.191 119.950 0.383 0.000 2.404 3309 F HA 0.458 4.971 4.527 -0.024 0.000 0.339 3309 F C -0.066 175.968 175.800 0.390 0.000 1.105 3309 F CA -0.360 57.835 58.000 0.324 0.000 1.087 3309 F CB 1.640 40.754 39.000 0.190 0.000 1.143 3309 F HN 0.379 nan 8.300 nan 0.000 0.491 3310 L N 4.105 125.580 121.223 0.420 0.000 2.270 3310 L HA 0.739 5.065 4.340 -0.023 0.000 0.286 3310 L C -0.033 176.931 176.870 0.157 0.000 1.059 3310 L CA 0.204 55.098 54.840 0.090 0.000 0.839 3310 L CB -0.115 41.739 42.059 -0.342 0.000 1.221 3310 L HN 0.720 nan 8.230 nan 0.000 0.431 3311 G N 3.617 112.539 108.800 0.203 0.000 2.617 3311 G HA2 0.383 4.329 3.960 -0.023 0.000 0.686 3311 G HA3 0.383 4.329 3.960 -0.023 0.000 0.686 3311 G C -0.540 174.408 174.900 0.080 0.000 1.214 3311 G CA -0.382 44.781 45.100 0.106 0.000 0.796 3311 G HN 1.364 nan 8.290 nan 0.000 0.654 3312 A N 0.522 123.351 122.820 0.015 0.000 2.676 3312 A HA 0.822 5.128 4.320 -0.023 0.000 0.258 3312 A C 1.013 178.566 177.584 -0.052 0.000 0.898 3312 A CA 1.054 53.058 52.037 -0.054 0.000 1.087 3312 A CB -0.061 18.934 19.000 -0.010 0.000 1.214 3312 A HN 2.220 nan 8.150 nan 0.000 0.474 3313 G N -0.647 108.142 108.800 -0.018 0.000 2.849 3313 G HA2 0.414 4.360 3.960 -0.023 0.000 0.174 3313 G HA3 0.414 4.360 3.960 -0.023 0.000 0.174 3313 G C 0.594 175.588 174.900 0.157 0.000 1.370 3313 G CA 0.151 45.291 45.100 0.065 0.000 1.040 3313 G HN 0.293 nan 8.290 nan 0.000 0.582 3314 E N -0.256 120.057 120.200 0.187 0.000 2.048 3314 E HA -0.268 4.068 4.350 -0.023 0.000 0.202 3314 E C 2.770 179.347 176.600 -0.038 0.000 1.021 3314 E CA 1.576 57.973 56.400 -0.005 0.000 0.825 3314 E CB -0.260 29.332 29.700 -0.180 0.000 0.756 3314 E HN 0.376 nan 8.360 nan 0.000 0.454 3315 A N 1.337 124.138 122.820 -0.033 0.000 1.873 3315 A HA -0.057 4.249 4.320 -0.023 0.000 0.215 3315 A C 2.417 179.949 177.584 -0.087 0.000 1.186 3315 A CA 1.704 53.724 52.037 -0.028 0.000 0.616 3315 A CB -0.807 18.204 19.000 0.017 0.000 0.823 3315 A HN 0.302 nan 8.150 nan 0.000 0.442 3316 A N -0.047 122.663 122.820 -0.183 0.000 1.859 3316 A HA -0.148 4.158 4.320 -0.023 0.000 0.217 3316 A C 2.209 179.368 177.584 -0.708 0.000 1.198 3316 A CA 1.744 53.409 52.037 -0.620 0.000 0.629 3316 A CB -0.860 17.801 19.000 -0.564 0.000 0.830 3316 A HN 0.478 nan 8.150 nan 0.000 0.446 3317 L N -0.737 120.267 121.223 -0.366 0.000 2.042 3317 L HA -0.162 4.164 4.340 -0.023 0.000 0.210 3317 L C 2.875 179.678 176.870 -0.111 0.000 1.076 3317 L CA 1.194 55.877 54.840 -0.263 0.000 0.749 3317 L CB -0.911 41.117 42.059 -0.052 0.000 0.893 3317 L HN 0.530 nan 8.230 nan 0.000 0.432 3318 G N 0.343 109.131 108.800 -0.019 0.000 2.446 3318 G HA2 -0.240 3.706 3.960 -0.023 0.000 0.217 3318 G HA3 -0.240 3.706 3.960 -0.023 0.000 0.217 3318 G C 1.565 176.471 174.900 0.010 0.000 1.168 3318 G CA 0.909 46.010 45.100 0.001 0.000 0.771 3318 G HN 0.304 nan 8.290 nan 0.000 0.551 3319 I N 1.405 121.977 120.570 0.002 0.000 2.226 3319 I HA -0.168 3.988 4.170 -0.023 0.000 0.245 3319 I C 3.315 179.537 176.117 0.175 0.000 1.100 3319 I CA 0.954 62.339 61.300 0.141 0.000 1.374 3319 I CB -0.300 37.887 38.000 0.312 0.000 1.057 3319 I HN 0.249 nan 8.210 nan 0.000 0.413 3320 A N 1.105 123.925 122.820 -0.000 0.000 1.908 3320 A HA -0.219 4.087 4.320 -0.023 0.000 0.218 3320 A C 2.097 179.794 177.584 0.189 0.000 1.181 3320 A CA 1.897 53.944 52.037 0.017 0.000 0.627 3320 A CB -0.718 17.849 19.000 -0.723 0.000 0.818 3320 A HN 0.434 nan 8.150 nan 0.000 0.445 3321 N N -0.528 118.271 118.700 0.164 0.000 2.223 3321 N HA -0.114 4.612 4.740 -0.023 0.000 0.185 3321 N C 1.539 177.170 175.510 0.203 0.000 1.016 3321 N CA 1.346 54.552 53.050 0.261 0.000 0.863 3321 N CB -0.296 38.327 38.487 0.226 0.000 0.983 3321 N HN 0.409 nan 8.380 nan 0.000 0.429 3322 L N 1.148 122.471 121.223 0.167 0.000 2.179 3322 L HA 0.145 4.471 4.340 -0.023 0.000 0.208 3322 L C 1.984 178.950 176.870 0.161 0.000 1.096 3322 L CA 0.763 55.696 54.840 0.154 0.000 0.779 3322 L CB -0.213 41.931 42.059 0.142 0.000 0.922 3322 L HN 0.037 nan 8.230 nan 0.000 0.443 3323 I N -1.441 119.243 120.570 0.190 0.000 2.226 3323 I HA -0.202 3.954 4.170 -0.023 0.000 0.245 3323 I C 1.227 177.445 176.117 0.168 0.000 1.100 3323 I CA 0.257 61.666 61.300 0.182 0.000 1.374 3323 I CB -0.231 37.903 38.000 0.223 0.000 1.057 3323 I HN -0.083 nan 8.210 nan 0.000 0.413 3329 E N 1.109 121.331 120.200 0.036 0.000 2.274 3329 E HA -0.094 4.242 4.350 -0.023 0.000 0.194 3329 E C 1.073 177.687 176.600 0.024 0.000 0.996 3329 E CA 1.162 57.583 56.400 0.036 0.000 0.840 3329 E CB 0.147 29.872 29.700 0.042 0.000 0.772 3329 E HN 0.621 nan 8.360 nan 0.000 0.491 3330 N N -0.749 117.960 118.700 0.016 0.000 2.273 3330 N HA 0.110 4.836 4.740 -0.023 0.000 0.231 3330 N C 0.470 175.981 175.510 0.002 0.000 1.134 3330 N CA 0.711 53.765 53.050 0.006 0.000 0.856 3330 N CB 1.616 40.099 38.487 -0.006 0.000 1.068 3330 N HN 0.308 nan 8.380 nan 0.000 0.510 3331 G N 0.321 109.125 108.800 0.007 0.000 3.038 3331 G HA2 -0.212 3.734 3.960 -0.023 0.000 0.197 3331 G HA3 -0.212 3.734 3.960 -0.023 0.000 0.197 3331 G C -0.282 174.621 174.900 0.004 0.000 1.925 3331 G CA -0.642 44.460 45.100 0.004 0.000 1.405 3331 G HN 0.142 nan 8.290 nan 0.000 0.524 3332 L N 2.877 124.102 121.223 0.002 0.000 2.536 3332 L HA 0.403 4.729 4.340 -0.023 0.000 0.294 3332 L C 1.606 178.479 176.870 0.005 0.000 1.257 3332 L CA 1.040 55.881 54.840 0.003 0.000 0.850 3332 L CB 0.313 42.374 42.059 0.004 0.000 1.105 3332 L HN 0.815 nan 8.230 nan 0.000 0.517 3333 S N 0.315 116.015 115.700 0.000 0.000 2.652 3333 S HA 0.233 4.689 4.470 -0.023 0.000 0.270 3333 S C 0.920 175.517 174.600 -0.005 0.000 1.243 3333 S CA -0.356 57.842 58.200 -0.002 0.000 0.999 3333 S CB 1.015 64.209 63.200 -0.009 0.000 0.973 3333 S HN 0.701 nan 8.310 nan 0.000 0.544 3334 E N 0.268 120.463 120.200 -0.008 0.000 2.049 3334 E HA -0.276 4.060 4.350 -0.023 0.000 0.198 3334 E C 2.014 178.587 176.600 -0.045 0.000 1.007 3334 E CA 1.438 57.829 56.400 -0.016 0.000 0.809 3334 E CB -0.239 29.450 29.700 -0.019 0.000 0.749 3334 E HN 0.780 nan 8.360 nan 0.000 0.450 3335 Q N 0.578 120.346 119.800 -0.053 0.000 2.124 3335 Q HA -0.237 4.089 4.340 -0.023 0.000 0.202 3335 Q C 1.866 177.828 176.000 -0.064 0.000 0.977 3335 Q CA 1.650 57.410 55.803 -0.073 0.000 0.850 3335 Q CB -0.070 28.632 28.738 -0.060 0.000 0.901 3335 Q HN 0.394 nan 8.270 nan 0.000 0.429 3336 E N -0.942 119.234 120.200 -0.040 0.000 2.274 3336 E HA -0.072 4.264 4.350 -0.023 0.000 0.194 3336 E C 1.553 178.142 176.600 -0.019 0.000 0.996 3336 E CA 0.650 57.031 56.400 -0.032 0.000 0.840 3336 E CB 0.108 29.798 29.700 -0.017 0.000 0.772 3336 E HN 0.425 nan 8.360 nan 0.000 0.491 3337 A N 0.442 123.258 122.820 -0.006 0.000 1.984 3337 A HA -0.082 4.224 4.320 -0.023 0.000 0.214 3337 A C 1.896 179.510 177.584 0.050 0.000 1.173 3337 A CA 0.498 52.553 52.037 0.031 0.000 0.673 3337 A CB -0.118 18.910 19.000 0.048 0.000 0.830 3337 A HN 0.198 nan 8.150 nan 0.000 0.453 3338 Q N -0.187 119.598 119.800 -0.024 0.000 2.364 3338 Q HA -0.063 4.263 4.340 -0.023 0.000 0.207 3338 Q C 1.243 177.241 176.000 -0.005 0.000 0.970 3338 Q CA 0.769 56.511 55.803 -0.102 0.000 0.888 3338 Q CB -0.047 28.452 28.738 -0.397 0.000 0.951 3338 Q HN 0.337 nan 8.270 nan 0.000 0.469 3339 K N 0.842 121.192 120.400 -0.082 0.000 2.432 3339 K HA -0.017 4.289 4.320 -0.023 0.000 0.196 3339 K C 1.104 177.575 176.600 -0.215 0.000 1.038 3339 K CA 0.700 56.801 56.287 -0.309 0.000 0.986 3339 K CB 0.239 32.589 32.500 -0.250 0.000 0.782 3339 K HN 0.193 nan 8.250 nan 0.000 0.485 3340 K N 0.471 120.878 120.400 0.012 0.000 2.417 3340 K HA 0.156 4.462 4.320 -0.023 0.000 0.196 3340 K C 0.125 176.863 176.600 0.231 0.000 1.023 3340 K CA 0.166 56.530 56.287 0.129 0.000 1.122 3340 K CB 0.555 33.137 32.500 0.137 0.000 0.850 3340 K HN -0.066 nan 8.250 nan 0.000 0.521 3341 I N 0.493 121.212 120.570 0.248 0.000 2.436 3341 I HA 0.282 4.438 4.170 -0.023 0.000 0.289 3341 I C -0.623 175.703 176.117 0.347 0.000 1.010 3341 I CA -0.726 60.821 61.300 0.411 0.000 1.098 3341 I CB 0.799 39.183 38.000 0.640 0.000 1.266 3341 I HN 0.006 nan 8.210 nan 0.000 0.434 3345 D N 4.444 124.793 120.400 -0.084 0.000 2.560 3345 D HA 0.229 4.855 4.640 -0.023 0.000 0.277 3345 D C 0.943 177.126 176.300 -0.195 0.000 1.194 3345 D CA -0.153 53.814 54.000 -0.056 0.000 1.092 3345 D CB 0.553 41.341 40.800 -0.020 0.000 1.169 3345 D HN 0.602 nan 8.370 nan 0.000 0.607 3346 K N -0.940 119.325 120.400 -0.225 0.000 2.280 3346 K HA -0.163 4.143 4.320 -0.023 0.000 0.202 3346 K C 1.283 177.590 176.600 -0.488 0.000 1.047 3346 K CA 1.245 57.313 56.287 -0.365 0.000 0.942 3346 K CB -0.543 31.646 32.500 -0.519 0.000 0.739 3346 K HN 0.426 nan 8.250 nan 0.000 0.457 3347 Y N 0.758 120.972 120.300 -0.143 0.000 2.449 3347 Y HA 0.254 4.790 4.550 -0.024 0.000 0.254 3347 Y C 1.142 176.893 175.900 -0.249 0.000 1.140 3347 Y CA 0.036 58.055 58.100 -0.136 0.000 1.272 3347 Y CB 1.338 39.744 38.460 -0.091 0.000 1.114 3347 Y HN 0.382 nan 8.280 nan 0.000 0.525 3348 G N 0.276 108.791 108.800 -0.474 0.000 2.331 3348 G HA2 -0.079 3.867 3.960 -0.023 0.000 0.479 3348 G HA3 -0.079 3.867 3.960 -0.023 0.000 0.479 3348 G C -1.643 172.758 174.900 -0.832 0.000 1.262 3348 G CA -1.099 43.441 45.100 -0.934 0.000 1.029 3348 G HN -0.008 nan 8.290 nan 0.000 0.487 3349 L N 0.142 121.149 121.223 -0.360 0.000 2.483 3349 L HA 0.474 4.800 4.340 -0.023 0.000 0.276 3349 L C 0.620 177.562 176.870 0.118 0.000 1.213 3349 L CA -0.375 54.551 54.840 0.142 0.000 0.843 3349 L CB 0.297 42.569 42.059 0.355 0.000 1.107 3349 L HN 0.502 nan 8.230 nan 0.000 0.487 3350 L N 6.649 127.994 121.223 0.204 0.000 2.282 3350 L HA 0.341 4.667 4.340 -0.023 0.000 0.287 3350 L C -0.322 176.652 176.870 0.174 0.000 1.075 3350 L CA -0.177 54.748 54.840 0.141 0.000 0.839 3350 L CB 0.396 42.523 42.059 0.112 0.000 1.219 3350 L HN 0.538 nan 8.230 nan 0.000 0.434 3351 V N 1.117 121.116 119.914 0.141 0.000 2.876 3351 V HA 0.530 4.636 4.120 -0.023 0.000 0.312 3351 V C 0.099 176.244 176.094 0.084 0.000 1.085 3351 V CA -1.460 60.934 62.300 0.158 0.000 0.945 3351 V CB 1.981 33.925 31.823 0.202 0.000 1.017 3351 V HN 0.592 nan 8.190 nan 0.000 0.428 3352 K N 2.314 122.758 120.400 0.073 0.000 2.511 3352 K HA 0.395 4.701 4.320 -0.023 0.000 0.280 3352 K C 1.270 177.892 176.600 0.036 0.000 1.008 3352 K CA 1.096 57.406 56.287 0.039 0.000 1.050 3352 K CB 0.131 32.655 32.500 0.039 0.000 0.889 3352 K HN 1.648 nan 8.250 nan 0.000 0.484 3353 G N 2.177 110.987 108.800 0.016 0.000 2.179 3353 G HA2 -0.370 3.576 3.960 -0.023 0.000 0.260 3353 G HA3 -0.370 3.576 3.960 -0.023 0.000 0.260 3353 G C 0.182 175.087 174.900 0.008 0.000 0.977 3353 G CA 0.580 45.686 45.100 0.010 0.000 0.641 3353 G HN 0.757 nan 8.290 nan 0.000 0.533 3354 R N -0.108 120.400 120.500 0.014 0.000 2.784 3354 R HA 0.539 4.865 4.340 -0.023 0.000 0.266 3354 R C 1.520 177.807 176.300 -0.022 0.000 1.044 3354 R CA 0.597 56.701 56.100 0.008 0.000 1.151 3354 R CB 0.446 30.757 30.300 0.019 0.000 1.037 3354 R HN 0.088 nan 8.270 nan 0.000 0.478 3355 K N 2.237 122.615 120.400 -0.036 0.000 2.025 3355 K HA -0.015 4.291 4.320 -0.023 0.000 0.207 3355 K C 0.371 176.898 176.600 -0.122 0.000 1.049 3355 K CA 1.523 57.768 56.287 -0.069 0.000 0.933 3355 K CB -0.457 32.002 32.500 -0.069 0.000 0.714 3355 K HN 0.727 nan 8.250 nan 0.000 0.438 3356 A N 1.832 124.558 122.820 -0.157 0.000 2.531 3356 A HA 0.064 4.370 4.320 -0.023 0.000 0.236 3356 A C -0.491 177.004 177.584 -0.147 0.000 1.062 3356 A CA 0.047 51.927 52.037 -0.263 0.000 0.760 3356 A CB -0.062 18.797 19.000 -0.236 0.000 0.995 3356 A HN 0.383 nan 8.150 nan 0.000 0.501 3357 K N 0.102 120.407 120.400 -0.159 0.000 2.336 3357 K HA 0.324 4.630 4.320 -0.023 0.000 0.262 3357 K C -1.071 175.505 176.600 -0.039 0.000 0.992 3357 K CA 0.341 56.577 56.287 -0.084 0.000 0.927 3357 K CB 0.305 32.757 32.500 -0.080 0.000 0.956 3357 K HN 0.466 nan 8.250 nan 0.000 0.495 3358 I N 2.153 122.705 120.570 -0.030 0.000 2.512 3358 I HA 0.043 4.199 4.170 -0.023 0.000 0.287 3358 I C -0.576 175.529 176.117 -0.020 0.000 1.069 3358 I CA -0.724 60.567 61.300 -0.016 0.000 1.056 3358 I CB 1.587 39.578 38.000 -0.016 0.000 1.229 3358 I HN 0.651 nan 8.210 nan 0.000 0.429 3359 D N 3.435 123.829 120.400 -0.011 0.000 2.411 3359 D HA 0.188 4.814 4.640 -0.023 0.000 0.251 3359 D C 1.294 177.575 176.300 -0.031 0.000 1.201 3359 D CA -0.080 53.914 54.000 -0.009 0.000 0.996 3359 D CB 0.639 41.453 40.800 0.023 0.000 1.101 3359 D HN 0.438 nan 8.370 nan 0.000 0.504 3360 S N -0.338 115.314 115.700 -0.080 0.000 2.374 3360 S HA -0.318 4.138 4.470 -0.023 0.000 0.227 3360 S C 1.968 176.432 174.600 -0.227 0.000 1.037 3360 S CA 1.120 59.200 58.200 -0.200 0.000 1.024 3360 S CB -1.233 61.760 63.200 -0.345 0.000 0.861 3360 S HN 0.596 nan 8.310 nan 0.000 0.456 3361 Y N 2.203 122.410 120.300 -0.155 0.000 2.352 3361 Y HA 0.061 4.596 4.550 -0.024 0.000 0.292 3361 Y C 2.885 178.771 175.900 -0.024 0.000 1.136 3361 Y CA 1.086 59.101 58.100 -0.143 0.000 1.227 3361 Y CB -0.508 37.718 38.460 -0.391 0.000 0.991 3361 Y HN 0.396 nan 8.280 nan 0.000 0.545 3362 Q N -0.473 119.384 119.800 0.095 0.000 2.163 3362 Q HA -0.135 4.191 4.340 -0.023 0.000 0.198 3362 Q C 2.093 178.150 176.000 0.095 0.000 0.954 3362 Q CA 0.595 56.465 55.803 0.111 0.000 0.851 3362 Q CB -0.056 28.701 28.738 0.031 0.000 0.928 3362 Q HN 0.281 nan 8.270 nan 0.000 0.459 3363 E N 1.284 121.486 120.200 0.003 0.000 2.113 3363 E HA -0.209 4.127 4.350 -0.023 0.000 0.210 3363 E C -0.829 175.699 176.600 -0.120 0.000 1.040 3363 E CA 1.832 58.197 56.400 -0.059 0.000 0.847 3363 E CB -1.148 28.506 29.700 -0.077 0.000 0.755 3363 E HN 0.224 nan 8.360 nan 0.000 0.459 3364 P HA -0.114 nan 4.420 nan 0.000 0.226 3364 P C 0.356 177.229 177.300 -0.711 0.000 1.146 3364 P CA 1.103 63.958 63.100 -0.409 0.000 0.773 3364 P CB -0.211 31.207 31.700 -0.471 0.000 0.772 3365 F N -3.186 116.623 119.950 -0.234 0.000 2.724 3365 F HA 0.200 4.712 4.527 -0.024 0.000 0.310 3365 F C 0.522 175.873 175.800 -0.748 0.000 1.107 3365 F CA -0.122 57.619 58.000 -0.432 0.000 1.218 3365 F CB -0.314 38.581 39.000 -0.176 0.000 1.042 3365 F HN -0.392 nan 8.300 nan 0.000 0.540 3366 T N 2.039 116.349 114.554 -0.406 0.000 2.762 3366 T HA 0.266 4.602 4.350 -0.023 0.000 0.303 3366 T C -0.075 174.406 174.700 -0.364 0.000 0.977 3366 T CA -0.235 61.687 62.100 -0.297 0.000 0.961 3366 T CB 0.122 68.929 68.868 -0.102 0.000 0.944 3366 T HN 0.069 nan 8.240 nan 0.000 0.481 3367 H N 0.886 119.881 119.070 -0.124 0.000 2.530 3367 H HA 0.458 5.000 4.556 -0.024 0.000 0.342 3367 H C 0.449 175.810 175.328 0.056 0.000 1.312 3367 H CA -1.060 54.900 56.048 -0.147 0.000 1.376 3367 H CB 0.723 30.176 29.762 -0.515 0.000 1.692 3367 H HN 0.383 nan 8.280 nan 0.000 0.622 3368 S N 0.292 116.131 115.700 0.231 0.000 2.549 3368 S HA 0.308 4.764 4.470 -0.023 0.000 0.279 3368 S C 0.388 175.159 174.600 0.286 0.000 1.321 3368 S CA -0.624 57.693 58.200 0.195 0.000 1.054 3368 S CB 0.523 63.805 63.200 0.136 0.000 0.899 3368 S HN 0.735 nan 8.310 nan 0.000 0.497 3369 A N 4.999 127.950 122.820 0.217 0.000 2.587 3369 A HA 0.293 4.599 4.320 -0.023 0.000 0.235 3369 A C -1.859 175.828 177.584 0.171 0.000 1.044 3369 A CA -0.549 51.611 52.037 0.205 0.000 0.754 3369 A CB -0.718 18.359 19.000 0.128 0.000 0.968 3369 A HN 0.541 nan 8.150 nan 0.000 0.509 3370 P HA 0.266 nan 4.420 nan 0.000 0.297 3370 P C 0.637 177.951 177.300 0.023 0.000 1.303 3370 P CA -0.468 62.656 63.100 0.040 0.000 0.753 3370 P CB 0.361 31.998 31.700 -0.104 0.000 1.281 3371 E N -0.581 119.617 120.200 -0.003 0.000 2.113 3371 E HA -0.165 4.171 4.350 -0.023 0.000 0.210 3371 E C 0.656 177.257 176.600 0.002 0.000 1.040 3371 E CA 1.900 58.298 56.400 -0.002 0.000 0.847 3371 E CB -0.687 29.002 29.700 -0.020 0.000 0.755 3371 E HN 0.520 nan 8.360 nan 0.000 0.459 3372 S N -1.155 114.539 115.700 -0.008 0.000 2.595 3372 S HA 0.611 5.067 4.470 -0.023 0.000 0.281 3372 S C -0.441 174.164 174.600 0.009 0.000 1.117 3372 S CA -1.066 57.136 58.200 0.003 0.000 0.873 3372 S CB 1.358 64.555 63.200 -0.006 0.000 1.108 3372 S HN 0.079 nan 8.310 nan 0.000 0.477 3373 I N 2.128 122.718 120.570 0.033 0.000 2.304 3373 I HA 0.343 4.499 4.170 -0.023 0.000 0.291 3373 I C -2.309 173.850 176.117 0.070 0.000 1.018 3373 I CA -2.139 59.196 61.300 0.059 0.000 1.260 3373 I CB 0.905 38.950 38.000 0.075 0.000 1.390 3373 I HN 0.468 nan 8.210 nan 0.000 0.475 3374 P HA 0.008 nan 4.420 nan 0.000 0.267 3374 P C -0.066 177.352 177.300 0.197 0.000 1.200 3374 P CA 0.116 63.275 63.100 0.099 0.000 0.772 3374 P CB 0.991 32.736 31.700 0.074 0.000 0.855 3375 D N -0.074 120.419 120.400 0.155 0.000 2.338 3375 D HA -0.020 4.606 4.640 -0.023 0.000 0.224 3375 D C 0.456 176.932 176.300 0.293 0.000 0.967 3375 D CA 0.840 54.956 54.000 0.193 0.000 0.896 3375 D CB 0.326 41.194 40.800 0.113 0.000 1.028 3375 D HN 0.488 nan 8.370 nan 0.000 0.493 3376 T N -3.535 111.120 114.554 0.168 0.000 2.927 3376 T HA 0.231 4.567 4.350 -0.023 0.000 0.286 3376 T C 0.652 175.193 174.700 -0.264 0.000 1.040 3376 T CA -0.777 61.387 62.100 0.106 0.000 1.010 3376 T CB 0.732 69.634 68.868 0.058 0.000 1.177 3376 T HN -0.052 nan 8.240 nan 0.000 0.546 3377 F N 0.479 120.079 119.950 -0.584 0.000 2.325 3377 F HA 0.119 4.632 4.527 -0.024 0.000 0.299 3377 F C 2.380 177.944 175.800 -0.392 0.000 1.090 3377 F CA 1.418 58.929 58.000 -0.814 0.000 1.392 3377 F CB -0.182 38.526 39.000 -0.487 0.000 1.053 3377 F HN 0.878 nan 8.300 nan 0.000 0.521 3378 E N -0.159 119.930 120.200 -0.186 0.000 2.150 3378 E HA -0.201 4.135 4.350 -0.023 0.000 0.193 3378 E C 1.534 177.988 176.600 -0.244 0.000 0.985 3378 E CA 1.501 57.787 56.400 -0.189 0.000 0.814 3378 E CB -0.104 29.552 29.700 -0.074 0.000 0.752 3378 E HN 0.377 nan 8.360 nan 0.000 0.466 3379 D N 0.390 120.664 120.400 -0.210 0.000 2.123 3379 D HA -0.096 4.530 4.640 -0.023 0.000 0.200 3379 D C 1.864 178.018 176.300 -0.243 0.000 0.976 3379 D CA 1.175 55.074 54.000 -0.169 0.000 0.831 3379 D CB -0.280 40.472 40.800 -0.080 0.000 0.974 3379 D HN 0.276 nan 8.370 nan 0.000 0.469 3380 A N 0.915 123.522 122.820 -0.355 0.000 1.940 3380 A HA -0.143 4.163 4.320 -0.023 0.000 0.219 3380 A C 2.523 179.823 177.584 -0.472 0.000 1.176 3380 A CA 1.205 53.006 52.037 -0.394 0.000 0.631 3380 A CB -0.688 18.007 19.000 -0.509 0.000 0.814 3380 A HN 0.146 nan 8.150 nan 0.000 0.446 3381 V N 0.761 120.329 119.914 -0.577 0.000 2.307 3381 V HA -0.214 3.892 4.120 -0.023 0.000 0.245 3381 V C 2.249 178.154 176.094 -0.314 0.000 1.045 3381 V CA 1.993 64.005 62.300 -0.480 0.000 1.024 3381 V CB -0.848 30.681 31.823 -0.490 0.000 0.651 3381 V HN 0.557 nan 8.190 nan 0.000 0.449 3382 N N 0.063 118.607 118.700 -0.261 0.000 2.188 3382 N HA -0.011 4.715 4.740 -0.023 0.000 0.184 3382 N C 1.779 177.182 175.510 -0.178 0.000 1.018 3382 N CA 1.409 54.346 53.050 -0.188 0.000 0.858 3382 N CB -0.081 38.318 38.487 -0.148 0.000 0.989 3382 N HN 0.442 nan 8.380 nan 0.000 0.426 3383 I N 0.125 120.575 120.570 -0.200 0.000 2.277 3383 I HA -0.157 3.999 4.170 -0.023 0.000 0.243 3383 I C 1.436 177.408 176.117 -0.241 0.000 1.094 3383 I CA 0.671 61.857 61.300 -0.190 0.000 1.393 3383 I CB 0.030 37.924 38.000 -0.176 0.000 1.078 3383 I HN -0.013 nan 8.210 nan 0.000 0.417 3384 L N 0.376 121.404 121.223 -0.325 0.000 2.341 3384 L HA 0.051 4.377 4.340 -0.023 0.000 0.214 3384 L C 0.833 177.539 176.870 -0.274 0.000 1.115 3384 L CA 0.766 55.363 54.840 -0.404 0.000 0.820 3384 L CB -0.742 40.953 42.059 -0.606 0.000 0.944 3384 L HN 0.134 nan 8.230 nan 0.000 0.452 3385 K N -0.123 120.136 120.400 -0.234 0.000 3.278 3385 K HA -0.161 4.145 4.320 -0.023 0.000 0.270 3385 K C -2.184 174.323 176.600 -0.154 0.000 0.955 3385 K CA 0.062 56.242 56.287 -0.178 0.000 0.723 3385 K CB -1.391 31.028 32.500 -0.135 0.000 1.382 3385 K HN 0.295 nan 8.250 nan 0.000 0.461 3386 P HA -0.017 nan 4.420 nan 0.000 0.272 3386 P C 0.449 177.672 177.300 -0.127 0.000 1.240 3386 P CA 0.005 63.035 63.100 -0.116 0.000 0.791 3386 P CB 1.270 32.904 31.700 -0.110 0.000 0.978 3387 S N -0.964 114.664 115.700 -0.121 0.000 2.503 3387 S HA 0.118 4.574 4.470 -0.023 0.000 0.215 3387 S C 0.625 175.115 174.600 -0.183 0.000 1.003 3387 S CA 0.225 58.328 58.200 -0.163 0.000 0.910 3387 S CB -0.304 62.766 63.200 -0.217 0.000 0.790 3387 S HN 0.498 nan 8.310 nan 0.000 0.514 3388 T N 2.084 116.535 114.554 -0.172 0.000 2.881 3388 T HA 0.662 4.998 4.350 -0.023 0.000 0.290 3388 T C -1.606 172.985 174.700 -0.182 0.000 1.000 3388 T CA -0.338 61.633 62.100 -0.214 0.000 0.978 3388 T CB 1.779 70.490 68.868 -0.260 0.000 0.997 3388 T HN 0.127 nan 8.240 nan 0.000 0.443 3389 I N 3.343 123.816 120.570 -0.162 0.000 2.436 3389 I HA 0.557 4.713 4.170 -0.023 0.000 0.289 3389 I C -1.092 175.072 176.117 0.078 0.000 1.010 3389 I CA -0.815 60.462 61.300 -0.038 0.000 1.098 3389 I CB 1.289 39.213 38.000 -0.128 0.000 1.266 3389 I HN 0.596 nan 8.210 nan 0.000 0.434 3390 I N 6.554 127.204 120.570 0.133 0.000 2.410 3390 I HA 0.459 4.615 4.170 -0.023 0.000 0.286 3390 I C 0.379 176.727 176.117 0.384 0.000 1.009 3390 I CA -0.527 60.910 61.300 0.227 0.000 1.111 3390 I CB 1.765 39.721 38.000 -0.073 0.000 1.262 3390 I HN 0.661 nan 8.210 nan 0.000 0.443 3391 G N 5.427 114.406 108.800 0.298 0.000 2.327 3391 G HA2 0.508 4.454 3.960 -0.023 0.000 0.302 3391 G HA3 0.508 4.454 3.960 -0.023 0.000 0.302 3391 G C -0.049 174.847 174.900 -0.008 0.000 1.113 3391 G CA -0.264 44.783 45.100 -0.087 0.000 0.921 3391 G HN 0.551 nan 8.290 nan 0.000 0.425 3392 V N 0.034 119.966 119.914 0.029 0.000 2.786 3392 V HA 0.635 4.741 4.120 -0.023 0.000 0.326 3392 V C 0.617 176.710 176.094 -0.001 0.000 1.185 3392 V CA 0.011 62.333 62.300 0.037 0.000 1.355 3392 V CB 0.197 32.086 31.823 0.109 0.000 1.275 3392 V HN 0.810 nan 8.190 nan 0.000 0.611 3393 A N 0.407 123.193 122.820 -0.056 0.000 2.324 3393 A HA 0.648 4.954 4.320 -0.023 0.000 0.220 3393 A C 1.952 179.502 177.584 -0.057 0.000 1.209 3393 A CA 0.572 52.578 52.037 -0.051 0.000 0.918 3393 A CB -0.064 18.894 19.000 -0.070 0.000 0.959 3393 A HN 2.046 nan 8.150 nan 0.000 0.507 3394 G N -0.685 108.074 108.800 -0.068 0.000 2.341 3394 G HA2 -0.028 3.918 3.960 -0.023 0.000 0.292 3394 G HA3 -0.028 3.918 3.960 -0.023 0.000 0.292 3394 G C 0.705 175.571 174.900 -0.056 0.000 1.021 3394 G CA 0.594 45.659 45.100 -0.058 0.000 0.905 3394 G HN 1.559 nan 8.290 nan 0.000 0.508 3395 A N -0.930 121.850 122.820 -0.068 0.000 2.538 3395 A HA 0.750 5.056 4.320 -0.023 0.000 0.269 3395 A C 1.706 179.260 177.584 -0.050 0.000 1.231 3395 A CA 1.286 53.291 52.037 -0.054 0.000 0.948 3395 A CB 0.180 19.149 19.000 -0.052 0.000 1.110 3395 A HN 2.569 nan 8.150 nan 0.000 0.529 3396 G N -0.179 108.587 108.800 -0.058 0.000 2.526 3396 G HA2 -0.106 3.840 3.960 -0.023 0.000 0.250 3396 G HA3 -0.106 3.840 3.960 -0.023 0.000 0.250 3396 G C -0.536 174.332 174.900 -0.055 0.000 1.289 3396 G CA -0.915 44.161 45.100 -0.039 0.000 0.947 3396 G HN 0.261 nan 8.290 nan 0.000 0.517 3397 R N 0.490 120.979 120.500 -0.018 0.000 3.955 3397 R HA 0.119 4.445 4.340 -0.023 0.000 0.170 3397 R C 1.259 177.564 176.300 0.008 0.000 1.821 3397 R CA 0.008 56.107 56.100 -0.002 0.000 1.329 3397 R CB -0.948 29.368 30.300 0.027 0.000 1.345 3397 R HN 0.362 nan 8.270 nan 0.000 0.763 3398 L N -0.101 121.094 121.223 -0.046 0.000 2.509 3398 L HA 0.115 4.441 4.340 -0.023 0.000 0.222 3398 L C 0.995 177.995 176.870 0.216 0.000 1.123 3398 L CA 0.849 55.698 54.840 0.014 0.000 0.856 3398 L CB -0.121 41.885 42.059 -0.088 0.000 0.985 3398 L HN 0.324 nan 8.230 nan 0.000 0.456 3399 F N 1.126 121.068 119.950 -0.014 0.000 2.606 3399 F HA 0.119 4.632 4.527 -0.024 0.000 0.347 3399 F C 1.204 177.015 175.800 0.019 0.000 1.207 3399 F CA -0.992 57.024 58.000 0.026 0.000 1.306 3399 F CB -0.232 38.794 39.000 0.045 0.000 1.657 3399 F HN 0.049 nan 8.300 nan 0.000 0.606 3400 T N -1.323 113.348 114.554 0.195 0.000 2.791 3400 T HA -0.023 4.313 4.350 -0.023 0.000 0.323 3400 T C -1.686 173.044 174.700 0.050 0.000 1.082 3400 T CA -1.199 60.958 62.100 0.095 0.000 1.084 3400 T CB 0.859 69.770 68.868 0.072 0.000 0.992 3400 T HN 0.116 nan 8.240 nan 0.000 0.547 3401 P HA -0.077 nan 4.420 nan 0.000 0.218 3401 P C 1.198 178.484 177.300 -0.023 0.000 1.148 3401 P CA 1.013 64.105 63.100 -0.014 0.000 0.822 3401 P CB 0.017 31.707 31.700 -0.016 0.000 0.784 3402 D N -1.135 119.258 120.400 -0.012 0.000 2.144 3402 D HA -0.079 4.547 4.640 -0.023 0.000 0.200 3402 D C 1.995 178.269 176.300 -0.043 0.000 0.978 3402 D CA 0.957 54.941 54.000 -0.026 0.000 0.833 3402 D CB -0.456 40.333 40.800 -0.017 0.000 0.961 3402 D HN 0.002 nan 8.370 nan 0.000 0.470 3403 V N 1.437 121.338 119.914 -0.022 0.000 2.358 3403 V HA -0.199 3.907 4.120 -0.023 0.000 0.246 3403 V C 2.518 178.545 176.094 -0.111 0.000 1.047 3403 V CA 1.052 63.321 62.300 -0.051 0.000 1.035 3403 V CB -0.267 31.581 31.823 0.042 0.000 0.658 3403 V HN 0.168 nan 8.190 nan 0.000 0.452 3404 I N -0.574 119.943 120.570 -0.089 0.000 2.252 3404 I HA -0.215 3.941 4.170 -0.023 0.000 0.245 3404 I C 2.744 178.796 176.117 -0.107 0.000 1.102 3404 I CA 1.473 62.705 61.300 -0.114 0.000 1.385 3404 I CB -0.448 37.496 38.000 -0.094 0.000 1.064 3404 I HN 0.207 nan 8.210 nan 0.000 0.414 3405 R N 1.090 121.539 120.500 -0.085 0.000 2.081 3405 R HA -0.015 4.311 4.340 -0.023 0.000 0.235 3405 R C 1.427 177.675 176.300 -0.086 0.000 1.131 3405 R CA 0.910 56.964 56.100 -0.077 0.000 0.960 3405 R CB -0.437 29.827 30.300 -0.060 0.000 0.856 3405 R HN 0.320 nan 8.270 nan 0.000 0.436 3409 S N -0.098 115.556 115.700 -0.076 0.000 2.406 3409 S HA 0.100 4.556 4.470 -0.023 0.000 0.224 3409 S C 1.744 176.301 174.600 -0.071 0.000 1.030 3409 S CA 1.380 59.540 58.200 -0.067 0.000 0.958 3409 S CB -0.368 62.791 63.200 -0.068 0.000 0.811 3409 S HN 0.457 nan 8.310 nan 0.000 0.489 3410 I N 1.220 121.738 120.570 -0.086 0.000 2.716 3410 I HA 0.093 4.249 4.170 -0.023 0.000 0.259 3410 I C 0.134 176.201 176.117 -0.084 0.000 1.172 3410 I CA 0.349 61.595 61.300 -0.090 0.000 1.478 3410 I CB -0.024 37.908 38.000 -0.114 0.000 1.104 3410 I HN 0.235 nan 8.210 nan 0.000 0.439 3411 N N 0.254 118.904 118.700 -0.083 0.000 2.262 3411 N HA 0.098 4.824 4.740 -0.023 0.000 0.295 3411 N C 0.398 175.872 175.510 -0.060 0.000 1.161 3411 N CA -0.296 52.708 53.050 -0.077 0.000 0.767 3411 N CB 2.251 40.681 38.487 -0.095 0.000 1.499 3411 N HN -0.138 nan 8.380 nan 0.000 0.476 3412 E N 0.930 121.101 120.200 -0.048 0.000 2.112 3412 E HA 0.002 4.338 4.350 -0.023 0.000 0.190 3412 E C -0.335 176.250 176.600 -0.025 0.000 0.979 3412 E CA 1.514 57.895 56.400 -0.031 0.000 0.814 3412 E CB 0.386 30.074 29.700 -0.020 0.000 0.762 3412 E HN 0.285 nan 8.360 nan 0.000 0.460 3413 R N 1.416 121.896 120.500 -0.032 0.000 2.547 3413 R HA 0.329 4.655 4.340 -0.023 0.000 0.280 3413 R C -2.519 173.753 176.300 -0.046 0.000 1.630 3413 R CA -2.227 53.861 56.100 -0.020 0.000 1.470 3413 R CB 0.803 31.103 30.300 -0.001 0.000 1.178 3413 R HN 0.212 nan 8.270 nan 0.000 0.591 3414 P HA 0.112 nan 4.420 nan 0.000 0.276 3414 P C -0.076 177.186 177.300 -0.063 0.000 1.230 3414 P CA -0.241 62.810 63.100 -0.083 0.000 0.776 3414 P CB 1.386 33.029 31.700 -0.095 0.000 0.888 3415 V N 5.628 125.479 119.914 -0.105 0.000 2.364 3415 V HA 0.282 4.388 4.120 -0.023 0.000 0.272 3415 V C 0.643 176.680 176.094 -0.096 0.000 1.036 3415 V CA -0.242 61.988 62.300 -0.116 0.000 0.880 3415 V CB 0.389 32.053 31.823 -0.266 0.000 0.991 3415 V HN 0.403 nan 8.190 nan 0.000 0.460 3416 I N 5.786 126.420 120.570 0.106 0.000 2.410 3416 I HA 0.441 4.597 4.170 -0.023 0.000 0.286 3416 I C -1.136 175.315 176.117 0.557 0.000 1.009 3416 I CA -0.272 61.176 61.300 0.247 0.000 1.111 3416 I CB 1.596 39.748 38.000 0.253 0.000 1.262 3416 I HN 0.360 nan 8.210 nan 0.000 0.443 3417 F N 4.950 124.990 119.950 0.150 0.000 2.382 3417 F HA 0.502 5.014 4.527 -0.024 0.000 0.361 3417 F C 0.501 176.386 175.800 0.142 0.000 1.109 3417 F CA -1.528 56.492 58.000 0.032 0.000 1.031 3417 F CB 1.776 40.805 39.000 0.048 0.000 1.234 3417 F HN 0.416 nan 8.300 nan 0.000 0.445 3418 A N 5.672 128.570 122.820 0.131 0.000 2.690 3418 A HA 0.514 4.820 4.320 -0.023 0.000 0.342 3418 A C 0.650 178.227 177.584 -0.012 0.000 1.410 3418 A CA -0.267 51.813 52.037 0.071 0.000 0.958 3418 A CB -0.313 18.830 19.000 0.239 0.000 1.153 3418 A HN 0.830 nan 8.150 nan 0.000 0.497 3419 L N 0.820 122.042 121.223 -0.002 0.000 2.492 3419 L HA 0.040 4.366 4.340 -0.023 0.000 0.223 3419 L C 0.978 177.836 176.870 -0.021 0.000 1.132 3419 L CA 0.111 54.944 54.840 -0.012 0.000 0.850 3419 L CB -0.212 41.877 42.059 0.051 0.000 0.966 3419 L HN 0.503 nan 8.230 nan 0.000 0.454 3420 S N 1.040 116.716 115.700 -0.040 0.000 2.560 3420 S HA 0.122 4.578 4.470 -0.023 0.000 0.284 3420 S C 0.148 174.718 174.600 -0.051 0.000 1.327 3420 S CA -0.126 58.045 58.200 -0.048 0.000 1.055 3420 S CB 0.283 63.438 63.200 -0.074 0.000 0.868 3420 S HN 0.274 nan 8.310 nan 0.000 0.506 3421 N N 2.783 121.445 118.700 -0.064 0.000 2.292 3421 N HA 0.519 5.245 4.740 -0.023 0.000 0.303 3421 N C -2.649 172.810 175.510 -0.085 0.000 1.140 3421 N CA -1.456 51.539 53.050 -0.092 0.000 0.788 3421 N CB 1.877 40.286 38.487 -0.130 0.000 1.361 3421 N HN 0.293 nan 8.380 nan 0.000 0.489 3422 P HA 0.175 nan 4.420 nan 0.000 0.312 3422 P C 0.527 177.775 177.300 -0.087 0.000 1.308 3422 P CA -0.025 63.007 63.100 -0.113 0.000 0.743 3422 P CB 0.444 32.078 31.700 -0.110 0.000 1.364 3423 T N 0.223 114.713 114.554 -0.107 0.000 2.620 3423 T HA -0.254 4.082 4.350 -0.023 0.000 0.267 3423 T C 1.956 176.665 174.700 0.015 0.000 1.044 3423 T CA 2.653 64.706 62.100 -0.078 0.000 1.161 3423 T CB -1.393 67.405 68.868 -0.117 0.000 0.862 3423 T HN 0.535 nan 8.240 nan 0.000 0.438 3424 A N 1.150 123.970 122.820 0.001 0.000 2.084 3424 A HA -0.147 4.159 4.320 -0.023 0.000 0.221 3424 A C 2.239 179.828 177.584 0.009 0.000 1.161 3424 A CA 1.245 53.291 52.037 0.016 0.000 0.653 3424 A CB -0.388 18.612 19.000 -0.000 0.000 0.802 3424 A HN 0.424 nan 8.150 nan 0.000 0.457 3425 Q N -0.643 119.150 119.800 -0.011 0.000 2.360 3425 Q HA 0.331 4.657 4.340 -0.023 0.000 0.202 3425 Q C 0.821 176.804 176.000 -0.028 0.000 0.915 3425 Q CA 0.588 56.376 55.803 -0.025 0.000 0.943 3425 Q CB -0.446 28.267 28.738 -0.041 0.000 1.064 3425 Q HN 0.610 nan 8.270 nan 0.000 0.511 3426 A N 1.154 123.981 122.820 0.012 0.000 2.483 3426 A HA 0.039 4.345 4.320 -0.023 0.000 0.238 3426 A C 0.873 178.448 177.584 -0.015 0.000 1.070 3426 A CA -0.078 51.982 52.037 0.037 0.000 0.770 3426 A CB 0.445 19.561 19.000 0.193 0.000 1.008 3426 A HN 0.029 nan 8.150 nan 0.000 0.497 3427 E N -0.314 119.809 120.200 -0.129 0.000 2.110 3427 E HA -0.009 4.327 4.350 -0.023 0.000 0.193 3427 E C 0.687 177.260 176.600 -0.044 0.000 0.988 3427 E CA 1.672 57.884 56.400 -0.313 0.000 0.804 3427 E CB -0.351 28.715 29.700 -1.056 0.000 0.745 3427 E HN 0.927 nan 8.360 nan 0.000 0.458 3428 C N -3.058 116.305 119.300 0.105 0.000 3.275 3428 C HA 0.675 5.121 4.460 -0.023 0.000 0.340 3428 C C 0.024 175.045 174.990 0.051 0.000 1.366 3428 C CA -0.643 58.439 59.018 0.108 0.000 1.227 3428 C CB 1.009 28.843 27.740 0.157 0.000 1.512 3428 C HN 0.275 nan 8.230 nan 0.000 0.461 3429 T N -0.769 113.645 114.554 -0.234 0.000 2.912 3429 T HA 0.670 5.006 4.350 -0.023 0.000 0.280 3429 T C 1.153 175.249 174.700 -1.007 0.000 0.989 3429 T CA 0.214 61.827 62.100 -0.812 0.000 0.995 3429 T CB 1.378 69.873 68.868 -0.622 0.000 1.077 3429 T HN 2.075 nan 8.240 nan 0.000 0.531 3430 A N 0.446 122.487 122.820 -1.298 0.000 1.873 3430 A HA -0.025 4.281 4.320 -0.023 0.000 0.215 3430 A C 2.320 179.597 177.584 -0.511 0.000 1.186 3430 A CA 1.096 52.597 52.037 -0.893 0.000 0.616 3430 A CB -0.963 17.950 19.000 -0.146 0.000 0.823 3430 A HN 0.892 nan 8.150 nan 0.000 0.442 3431 E N 0.243 120.243 120.200 -0.334 0.000 2.049 3431 E HA -0.236 4.100 4.350 -0.023 0.000 0.198 3431 E C 1.941 178.425 176.600 -0.193 0.000 1.007 3431 E CA 1.799 58.108 56.400 -0.151 0.000 0.809 3431 E CB -0.422 29.212 29.700 -0.110 0.000 0.749 3431 E HN 0.786 nan 8.360 nan 0.000 0.450 3432 E N 0.440 120.478 120.200 -0.270 0.000 2.051 3432 E HA -0.154 4.182 4.350 -0.023 0.000 0.192 3432 E C 2.057 178.486 176.600 -0.286 0.000 0.991 3432 E CA 1.078 57.344 56.400 -0.223 0.000 0.799 3432 E CB -0.155 29.432 29.700 -0.187 0.000 0.748 3432 E HN 0.232 nan 8.360 nan 0.000 0.449 3433 A N 0.671 123.187 122.820 -0.507 0.000 1.865 3433 A HA -0.206 4.100 4.320 -0.023 0.000 0.217 3433 A C 1.952 179.228 177.584 -0.514 0.000 1.191 3433 A CA 1.444 53.117 52.037 -0.607 0.000 0.623 3433 A CB -0.954 17.326 19.000 -1.199 0.000 0.826 3433 A HN 0.305 nan 8.150 nan 0.000 0.444 3434 Y N 0.152 120.206 120.300 -0.409 0.000 2.220 3434 Y HA -0.146 4.389 4.550 -0.024 0.000 0.291 3434 Y C 3.044 178.769 175.900 -0.292 0.000 1.129 3434 Y CA 1.567 59.423 58.100 -0.407 0.000 1.161 3434 Y CB -0.558 37.633 38.460 -0.448 0.000 0.997 3434 Y HN 0.273 nan 8.280 nan 0.000 0.522 3435 T N 0.544 115.067 114.554 -0.051 0.000 2.777 3435 T HA -0.142 4.194 4.350 -0.023 0.000 0.266 3435 T C 1.765 176.427 174.700 -0.063 0.000 1.040 3435 T CA 1.189 63.263 62.100 -0.043 0.000 1.141 3435 T CB -0.464 68.382 68.868 -0.036 0.000 0.868 3435 T HN 0.230 nan 8.240 nan 0.000 0.444 3436 L N 1.471 122.637 121.223 -0.095 0.000 2.552 3436 L HA 0.047 4.373 4.340 -0.023 0.000 0.227 3436 L C 2.270 179.086 176.870 -0.089 0.000 1.146 3436 L CA 0.988 55.776 54.840 -0.086 0.000 0.858 3436 L CB -0.520 41.483 42.059 -0.094 0.000 0.969 3436 L HN 0.414 nan 8.230 nan 0.000 0.451 3437 T N -5.250 109.240 114.554 -0.107 0.000 3.084 3437 T HA 0.158 4.494 4.350 -0.023 0.000 0.270 3437 T C 0.526 175.181 174.700 -0.074 0.000 1.008 3437 T CA -0.368 61.674 62.100 -0.097 0.000 0.900 3437 T CB 0.132 68.925 68.868 -0.125 0.000 1.084 3437 T HN 0.303 nan 8.240 nan 0.000 0.538 3438 E N 0.743 120.907 120.200 -0.061 0.000 2.476 3438 E HA -0.208 4.128 4.350 -0.023 0.000 0.251 3438 E C 0.973 177.554 176.600 -0.032 0.000 1.130 3438 E CA 0.395 56.779 56.400 -0.027 0.000 0.736 3438 E CB -1.944 27.751 29.700 -0.007 0.000 1.298 3438 E HN 0.992 nan 8.360 nan 0.000 0.400 3439 G N -0.068 108.639 108.800 -0.156 0.000 2.153 3439 G HA2 -0.401 3.545 3.960 -0.023 0.000 0.252 3439 G HA3 -0.401 3.545 3.960 -0.023 0.000 0.252 3439 G C 0.673 175.474 174.900 -0.166 0.000 0.994 3439 G CA 0.659 45.507 45.100 -0.421 0.000 0.698 3439 G HN 0.404 nan 8.290 nan 0.000 0.521 3440 R N -0.577 119.879 120.500 -0.074 0.000 2.300 3440 R HA 0.209 4.536 4.340 -0.023 0.000 0.199 3440 R C 1.896 178.195 176.300 -0.003 0.000 0.920 3440 R CA 0.703 56.800 56.100 -0.005 0.000 1.046 3440 R CB -0.036 30.257 30.300 -0.011 0.000 0.984 3440 R HN 0.765 nan 8.270 nan 0.000 0.493 3441 C N -0.331 118.945 119.300 -0.040 0.000 2.443 3441 C HA 0.548 4.994 4.460 -0.023 0.000 0.369 3441 C C 0.409 175.456 174.990 0.094 0.000 1.241 3441 C CA -1.221 57.785 59.018 -0.019 0.000 2.413 3441 C CB 0.146 27.818 27.740 -0.114 0.000 2.451 3441 C HN 0.187 nan 8.230 nan 0.000 0.595 3442 L N 2.534 123.835 121.223 0.131 0.000 2.301 3442 L HA 0.436 4.762 4.340 -0.023 0.000 0.278 3442 L C -0.357 176.708 176.870 0.325 0.000 1.022 3442 L CA -0.034 54.945 54.840 0.233 0.000 0.854 3442 L CB 0.272 42.435 42.059 0.173 0.000 1.226 3442 L HN 0.719 nan 8.230 nan 0.000 0.429 3443 F N 3.058 123.076 119.950 0.114 0.000 2.432 3443 F HA 0.811 5.325 4.527 -0.022 0.000 0.329 3443 F C -0.029 175.854 175.800 0.137 0.000 1.076 3443 F CA -0.541 57.497 58.000 0.064 0.000 1.018 3443 F CB 1.662 40.446 39.000 -0.359 0.000 1.201 3443 F HN 0.409 nan 8.300 nan 0.000 0.489 3444 A N 2.669 124.944 122.820 -0.908 0.000 2.566 3444 A HA 0.674 4.980 4.320 -0.023 0.000 0.297 3444 A C -1.410 175.548 177.584 -1.043 0.000 1.059 3444 A CA -0.211 51.349 52.037 -0.796 0.000 0.691 3444 A CB 1.176 19.554 19.000 -1.037 0.000 1.282 3444 A HN 1.045 nan 8.150 nan 0.000 0.401 3445 S N 0.193 115.587 115.700 -0.511 0.000 2.599 3445 S HA 0.701 5.157 4.470 -0.023 0.000 0.287 3445 S C 0.842 175.365 174.600 -0.129 0.000 1.105 3445 S CA -0.050 58.012 58.200 -0.230 0.000 0.899 3445 S CB 1.497 64.827 63.200 0.218 0.000 1.100 3445 S HN 1.799 nan 8.310 nan 0.000 0.482 3446 G N 0.817 109.568 108.800 -0.080 0.000 2.403 3446 G HA2 0.197 4.143 3.960 -0.023 0.000 0.216 3446 G HA3 0.197 4.143 3.960 -0.023 0.000 0.216 3446 G C 0.334 175.182 174.900 -0.086 0.000 1.154 3446 G CA 0.276 45.332 45.100 -0.073 0.000 0.784 3446 G HN 0.700 nan 8.290 nan 0.000 0.538 3447 S N 0.976 116.598 115.700 -0.129 0.000 2.638 3447 S HA 0.544 5.000 4.470 -0.023 0.000 0.298 3447 S C -2.605 171.811 174.600 -0.307 0.000 1.111 3447 S CA -1.022 57.048 58.200 -0.218 0.000 1.027 3447 S CB 2.421 65.454 63.200 -0.278 0.000 1.064 3447 S HN 0.065 nan 8.310 nan 0.000 0.525 3448 P HA 0.263 nan 4.420 nan 0.000 0.268 3448 P C -1.294 175.780 177.300 -0.377 0.000 1.204 3448 P CA 0.126 63.112 63.100 -0.190 0.000 0.768 3448 P CB 0.098 31.756 31.700 -0.069 0.000 0.842 3449 F N 0.715 120.750 119.950 0.140 0.000 2.581 3449 F HA 0.443 4.955 4.527 -0.024 0.000 0.311 3449 F C 1.180 177.071 175.800 0.152 0.000 1.113 3449 F CA -0.721 57.371 58.000 0.154 0.000 0.935 3449 F CB 2.155 41.286 39.000 0.217 0.000 1.232 3449 F HN 0.324 nan 8.300 nan 0.000 0.445 3450 G N 1.949 110.942 108.800 0.322 0.000 2.611 3450 G HA2 0.431 4.377 3.960 -0.023 0.000 0.273 3450 G HA3 0.431 4.377 3.960 -0.023 0.000 0.273 3450 G C -2.575 172.456 174.900 0.218 0.000 1.305 3450 G CA -1.073 44.157 45.100 0.217 0.000 1.010 3450 G HN 0.341 nan 8.290 nan 0.000 0.509 3451 P HA 0.239 nan 4.420 nan 0.000 0.272 3451 P C -0.784 176.578 177.300 0.104 0.000 1.223 3451 P CA -0.205 62.968 63.100 0.121 0.000 0.784 3451 P CB 1.423 33.165 31.700 0.069 0.000 0.923 3452 V N 3.100 123.063 119.914 0.080 0.000 2.357 3452 V HA 0.280 4.386 4.120 -0.023 0.000 0.284 3452 V C 0.515 176.654 176.094 0.075 0.000 1.018 3452 V CA -0.485 61.863 62.300 0.080 0.000 0.841 3452 V CB 1.134 33.023 31.823 0.111 0.000 0.991 3452 V HN 0.522 nan 8.190 nan 0.000 0.437 3453 K N 5.927 126.363 120.400 0.060 0.000 2.263 3453 K HA 0.579 4.885 4.320 -0.023 0.000 0.272 3453 K C -0.588 176.052 176.600 0.066 0.000 1.033 3453 K CA -0.568 55.746 56.287 0.046 0.000 0.884 3453 K CB 0.828 33.338 32.500 0.017 0.000 1.107 3453 K HN 0.599 nan 8.250 nan 0.000 0.460 3454 L N 2.899 124.183 121.223 0.101 0.000 2.466 3454 L HA 0.093 4.419 4.340 -0.023 0.000 0.257 3454 L C 2.063 178.965 176.870 0.053 0.000 1.189 3454 L CA -0.289 54.606 54.840 0.093 0.000 0.813 3454 L CB 0.859 43.006 42.059 0.148 0.000 1.118 3454 L HN 0.852 nan 8.230 nan 0.000 0.471 3455 T N -2.794 111.784 114.554 0.041 0.000 2.803 3455 T HA -0.195 4.141 4.350 -0.023 0.000 0.269 3455 T C 1.107 175.821 174.700 0.024 0.000 1.052 3455 T CA 1.322 63.438 62.100 0.026 0.000 1.136 3455 T CB -0.543 68.337 68.868 0.021 0.000 0.864 3455 T HN 0.807 nan 8.240 nan 0.000 0.467 3456 D N 1.078 121.497 120.400 0.032 0.000 2.348 3456 D HA 0.231 4.857 4.640 -0.023 0.000 0.216 3456 D C 1.738 178.046 176.300 0.013 0.000 0.970 3456 D CA 0.870 54.885 54.000 0.025 0.000 0.889 3456 D CB -0.757 40.065 40.800 0.036 0.000 0.912 3456 D HN 0.653 nan 8.370 nan 0.000 0.524 3457 G N -0.307 108.500 108.800 0.012 0.000 2.238 3457 G HA2 -0.292 3.654 3.960 -0.023 0.000 0.217 3457 G HA3 -0.292 3.654 3.960 -0.023 0.000 0.217 3457 G C 0.245 175.120 174.900 -0.042 0.000 0.996 3457 G CA -0.235 44.858 45.100 -0.011 0.000 0.632 3457 G HN 0.416 nan 8.290 nan 0.000 0.503 3458 R N 0.437 120.913 120.500 -0.040 0.000 2.522 3458 R HA 0.451 4.777 4.340 -0.023 0.000 0.284 3458 R C 0.072 176.224 176.300 -0.247 0.000 1.032 3458 R CA 0.099 56.102 56.100 -0.161 0.000 1.049 3458 R CB 1.153 31.394 30.300 -0.097 0.000 0.956 3458 R HN 0.121 nan 8.270 nan 0.000 0.422 3459 V N 4.792 124.455 119.914 -0.419 0.000 2.483 3459 V HA 0.417 4.523 4.120 -0.023 0.000 0.295 3459 V C -0.554 175.133 176.094 -0.678 0.000 1.035 3459 V CA -0.525 61.563 62.300 -0.354 0.000 0.896 3459 V CB 1.138 32.845 31.823 -0.194 0.000 0.986 3459 V HN 0.500 nan 8.190 nan 0.000 0.447 3460 F N 1.289 121.079 119.950 -0.267 0.000 2.493 3460 F HA 0.479 4.992 4.527 -0.024 0.000 0.329 3460 F C 0.510 176.156 175.800 -0.256 0.000 1.126 3460 F CA -0.506 57.238 58.000 -0.427 0.000 0.937 3460 F CB 2.174 40.480 39.000 -1.156 0.000 1.146 3460 F HN 0.304 nan 8.300 nan 0.000 0.442 3461 T N 5.454 120.041 114.554 0.055 0.000 2.929 3461 T HA 0.276 4.612 4.350 -0.023 0.000 0.331 3461 T C -2.585 172.278 174.700 0.272 0.000 1.120 3461 T CA -1.442 60.744 62.100 0.143 0.000 0.973 3461 T CB 0.469 69.397 68.868 0.100 0.000 1.036 3461 T HN 0.196 nan 8.240 nan 0.000 0.502 3462 P HA 0.257 nan 4.420 nan 0.000 0.271 3462 P C 0.332 177.846 177.300 0.356 0.000 1.216 3462 P CA -0.148 63.266 63.100 0.524 0.000 0.776 3462 P CB 0.917 33.059 31.700 0.737 0.000 0.881 3463 G N 2.054 111.039 108.800 0.308 0.000 2.504 3463 G HA2 0.260 4.206 3.960 -0.023 0.000 0.288 3463 G HA3 0.260 4.206 3.960 -0.023 0.000 0.288 3463 G C -0.886 174.109 174.900 0.159 0.000 1.182 3463 G CA -0.491 44.780 45.100 0.285 0.000 0.894 3463 G HN 0.563 nan 8.290 nan 0.000 0.521 3464 Q N 0.157 119.995 119.800 0.064 0.000 2.431 3464 Q HA 0.420 4.746 4.340 -0.023 0.000 0.249 3464 Q C 0.361 176.128 176.000 -0.387 0.000 1.025 3464 Q CA -0.641 55.128 55.803 -0.057 0.000 0.835 3464 Q CB 0.781 29.565 28.738 0.077 0.000 1.207 3464 Q HN 0.591 nan 8.270 nan 0.000 0.490 3465 G N 4.214 112.733 108.800 -0.469 0.000 2.716 3465 G HA2 0.037 3.983 3.960 -0.023 0.000 0.296 3465 G HA3 0.037 3.983 3.960 -0.023 0.000 0.296 3465 G C -0.402 174.356 174.900 -0.236 0.000 0.811 3465 G CA -0.163 44.581 45.100 -0.594 0.000 1.758 3465 G HN 0.518 nan 8.290 nan 0.000 0.512 3466 N N 1.586 120.213 118.700 -0.122 0.000 2.249 3466 N HA 0.033 4.759 4.740 -0.023 0.000 0.296 3466 N C 0.929 176.531 175.510 0.153 0.000 1.051 3466 N CA -0.685 52.408 53.050 0.071 0.000 0.815 3466 N CB 1.425 39.997 38.487 0.141 0.000 1.487 3466 N HN 0.271 nan 8.380 nan 0.000 0.475 3467 N N 2.024 120.859 118.700 0.225 0.000 2.651 3467 N HA -0.135 4.591 4.740 -0.023 0.000 0.193 3467 N C 1.326 176.947 175.510 0.185 0.000 1.149 3467 N CA 0.523 53.744 53.050 0.285 0.000 0.933 3467 N CB -0.184 38.542 38.487 0.399 0.000 0.974 3467 N HN 0.270 nan 8.380 nan 0.000 0.448 3468 V N -0.640 119.300 119.914 0.044 0.000 2.913 3468 V HA -0.144 3.962 4.120 -0.023 0.000 0.260 3468 V C 0.961 176.713 176.094 -0.570 0.000 1.098 3468 V CA 1.211 63.190 62.300 -0.536 0.000 1.121 3468 V CB -0.800 30.767 31.823 -0.427 0.000 0.714 3468 V HN 0.317 nan 8.190 nan 0.000 0.487 3469 Y N -1.100 119.040 120.300 -0.266 0.000 2.544 3469 Y HA 0.080 4.615 4.550 -0.024 0.000 0.286 3469 Y C 1.982 177.780 175.900 -0.171 0.000 1.141 3469 Y CA 0.814 58.795 58.100 -0.198 0.000 1.299 3469 Y CB 0.452 38.834 38.460 -0.132 0.000 1.030 3469 Y HN 0.246 nan 8.280 nan 0.000 0.543 3470 I N -1.852 118.701 120.570 -0.028 0.000 3.345 3470 I HA -0.107 4.049 4.170 -0.023 0.000 0.258 3470 I C 2.094 178.197 176.117 -0.024 0.000 1.134 3470 I CA 0.564 61.877 61.300 0.022 0.000 1.457 3470 I CB -1.458 36.649 38.000 0.178 0.000 1.425 3470 I HN 0.153 nan 8.210 nan 0.000 0.461 3471 F N 2.245 122.251 119.950 0.093 0.000 2.192 3471 F HA -0.013 4.499 4.527 -0.024 0.000 0.301 3471 F C -0.798 174.912 175.800 -0.150 0.000 1.079 3471 F CA 0.879 58.925 58.000 0.075 0.000 1.303 3471 F CB -2.789 36.395 39.000 0.307 0.000 1.024 3471 F HN 0.084 nan 8.300 nan 0.000 0.494 3472 P HA -0.021 nan 4.420 nan 0.000 0.213 3472 P C 2.151 179.291 177.300 -0.267 0.000 1.170 3472 P CA 2.352 65.229 63.100 -0.371 0.000 0.893 3472 P CB -0.460 30.994 31.700 -0.410 0.000 0.784 3473 G N -0.327 108.351 108.800 -0.204 0.000 2.418 3473 G HA2 -0.226 3.720 3.960 -0.023 0.000 0.217 3473 G HA3 -0.226 3.720 3.960 -0.023 0.000 0.217 3473 G C 1.620 176.433 174.900 -0.146 0.000 1.158 3473 G CA 0.840 45.856 45.100 -0.141 0.000 0.771 3473 G HN 0.140 nan 8.290 nan 0.000 0.545 3474 V N 1.502 121.311 119.914 -0.176 0.000 2.358 3474 V HA -0.104 4.002 4.120 -0.023 0.000 0.246 3474 V C 3.314 179.292 176.094 -0.193 0.000 1.047 3474 V CA 1.945 64.100 62.300 -0.242 0.000 1.035 3474 V CB -0.859 30.721 31.823 -0.405 0.000 0.658 3474 V HN 0.476 nan 8.190 nan 0.000 0.452 3475 A N -0.032 122.686 122.820 -0.170 0.000 1.902 3475 A HA -0.206 4.100 4.320 -0.023 0.000 0.217 3475 A C 2.176 179.704 177.584 -0.094 0.000 1.181 3475 A CA 2.120 54.085 52.037 -0.119 0.000 0.623 3475 A CB -0.610 18.164 19.000 -0.376 0.000 0.818 3475 A HN 0.448 nan 8.150 nan 0.000 0.443 3476 L N -0.222 120.922 121.223 -0.131 0.000 2.046 3476 L HA -0.092 4.234 4.340 -0.023 0.000 0.208 3476 L C 2.672 179.527 176.870 -0.026 0.000 1.077 3476 L CA 2.266 57.065 54.840 -0.069 0.000 0.747 3476 L CB -0.823 41.190 42.059 -0.076 0.000 0.896 3476 L HN 0.354 nan 8.230 nan 0.000 0.432 3477 A N -1.135 121.663 122.820 -0.036 0.000 1.858 3477 A HA -0.147 4.159 4.320 -0.023 0.000 0.216 3477 A C 2.248 179.835 177.584 0.006 0.000 1.190 3477 A CA 2.076 54.114 52.037 0.001 0.000 0.617 3477 A CB -1.179 17.806 19.000 -0.025 0.000 0.827 3477 A HN 0.296 nan 8.150 nan 0.000 0.443 3478 V N 0.790 120.691 119.914 -0.022 0.000 2.287 3478 V HA -0.275 3.831 4.120 -0.023 0.000 0.248 3478 V C 2.468 178.583 176.094 0.035 0.000 1.053 3478 V CA 1.871 64.172 62.300 0.002 0.000 1.027 3478 V CB -0.751 31.075 31.823 0.006 0.000 0.646 3478 V HN 0.513 nan 8.190 nan 0.000 0.447 3479 I N -0.310 120.284 120.570 0.040 0.000 2.142 3479 I HA -0.221 3.935 4.170 -0.023 0.000 0.240 3479 I C 2.414 178.574 176.117 0.071 0.000 1.078 3479 I CA 1.817 63.148 61.300 0.051 0.000 1.343 3479 I CB -1.119 36.907 38.000 0.044 0.000 1.046 3479 I HN 0.282 nan 8.210 nan 0.000 0.405 3480 L N 0.022 121.293 121.223 0.080 0.000 2.131 3480 L HA -0.222 4.104 4.340 -0.023 0.000 0.210 3480 L C 2.319 179.333 176.870 0.241 0.000 1.092 3480 L CA 1.055 55.987 54.840 0.152 0.000 0.759 3480 L CB -0.511 41.637 42.059 0.148 0.000 0.903 3480 L HN 0.316 nan 8.230 nan 0.000 0.435 3481 C N -0.309 119.067 119.300 0.127 0.000 2.697 3481 C HA 0.124 4.571 4.460 -0.023 0.000 0.267 3481 C C 1.119 176.135 174.990 0.043 0.000 1.278 3481 C CA -0.376 58.644 59.018 0.003 0.000 1.708 3481 C CB -1.849 25.775 27.740 -0.194 0.000 1.860 3481 C HN 0.627 nan 8.230 nan 0.000 0.589 3482 N N 0.377 119.134 118.700 0.096 0.000 2.721 3482 N HA -0.148 4.578 4.740 -0.023 0.000 0.249 3482 N C -0.379 175.204 175.510 0.122 0.000 1.072 3482 N CA 0.310 53.428 53.050 0.113 0.000 0.710 3482 N CB -0.966 37.621 38.487 0.166 0.000 0.993 3482 N HN 0.479 nan 8.380 nan 0.000 0.547 3483 T N -0.074 114.532 114.554 0.087 0.000 2.928 3483 T HA 0.049 4.385 4.350 -0.023 0.000 0.305 3483 T C 1.542 176.247 174.700 0.009 0.000 1.035 3483 T CA 0.110 62.271 62.100 0.102 0.000 1.145 3483 T CB 1.064 69.967 68.868 0.057 0.000 0.963 3483 T HN 0.215 nan 8.240 nan 0.000 0.545 3484 R N 1.185 121.650 120.500 -0.058 0.000 2.128 3484 R HA 0.121 4.447 4.340 -0.023 0.000 0.211 3484 R C 0.115 176.053 176.300 -0.605 0.000 1.067 3484 R CA 0.708 56.584 56.100 -0.373 0.000 1.010 3484 R CB 0.193 30.180 30.300 -0.523 0.000 0.922 3484 R HN 0.682 nan 8.270 nan 0.000 0.457 3485 H N -1.213 117.917 119.070 0.100 0.000 2.895 3485 H HA 0.434 4.975 4.556 -0.026 0.000 0.373 3485 H C -1.047 174.364 175.328 0.137 0.000 1.174 3485 H CA -0.741 55.380 56.048 0.122 0.000 1.144 3485 H CB 2.252 32.075 29.762 0.103 0.000 1.793 3485 H HN -0.118 nan 8.280 nan 0.000 0.551 3486 I N 2.223 122.965 120.570 0.287 0.000 2.382 3486 I HA 0.252 4.409 4.170 -0.023 0.000 0.285 3486 I C 0.048 176.320 176.117 0.258 0.000 1.007 3486 I CA -0.649 60.787 61.300 0.227 0.000 1.142 3486 I CB 1.302 39.442 38.000 0.233 0.000 1.289 3486 I HN 0.589 nan 8.210 nan 0.000 0.453 3487 S N 2.971 118.801 115.700 0.216 0.000 2.632 3487 S HA 0.236 4.692 4.470 -0.023 0.000 0.267 3487 S C 0.629 175.390 174.600 0.269 0.000 1.276 3487 S CA -0.674 57.657 58.200 0.219 0.000 0.998 3487 S CB 1.542 64.857 63.200 0.190 0.000 0.953 3487 S HN 0.541 nan 8.310 nan 0.000 0.547 3488 D N 1.220 121.775 120.400 0.259 0.000 2.219 3488 D HA -0.080 4.546 4.640 -0.023 0.000 0.205 3488 D C 2.194 178.643 176.300 0.249 0.000 0.970 3488 D CA 1.546 55.731 54.000 0.308 0.000 0.851 3488 D CB -0.539 40.384 40.800 0.204 0.000 0.943 3488 D HN 0.727 nan 8.370 nan 0.000 0.488 3489 S N 0.301 116.103 115.700 0.170 0.000 2.419 3489 S HA -0.132 4.324 4.470 -0.023 0.000 0.235 3489 S C 2.247 176.780 174.600 -0.112 0.000 1.019 3489 S CA 0.664 58.916 58.200 0.088 0.000 0.982 3489 S CB -0.697 62.621 63.200 0.196 0.000 0.789 3489 S HN 0.079 nan 8.310 nan 0.000 0.490 3490 V N 1.028 120.891 119.914 -0.086 0.000 2.332 3490 V HA -0.151 3.955 4.120 -0.023 0.000 0.248 3490 V C 2.200 178.038 176.094 -0.427 0.000 1.055 3490 V CA 1.976 64.073 62.300 -0.338 0.000 1.038 3490 V CB -1.026 30.599 31.823 -0.330 0.000 0.651 3490 V HN 0.497 nan 8.190 nan 0.000 0.450 3491 F N -0.936 118.947 119.950 -0.111 0.000 2.259 3491 F HA -0.065 4.449 4.527 -0.022 0.000 0.298 3491 F C 2.150 177.909 175.800 -0.070 0.000 1.088 3491 F CA 1.160 59.111 58.000 -0.081 0.000 1.358 3491 F CB -0.356 38.625 39.000 -0.031 0.000 1.040 3491 F HN 0.044 nan 8.300 nan 0.000 0.505 3492 L N 0.027 121.290 121.223 0.067 0.000 2.046 3492 L HA -0.220 4.106 4.340 -0.023 0.000 0.208 3492 L C 2.473 179.298 176.870 -0.075 0.000 1.077 3492 L CA 1.610 56.464 54.840 0.023 0.000 0.747 3492 L CB -0.224 41.845 42.059 0.017 0.000 0.896 3492 L HN 0.094 nan 8.230 nan 0.000 0.432 3493 E N 0.189 120.244 120.200 -0.241 0.000 2.106 3493 E HA -0.177 4.159 4.350 -0.023 0.000 0.192 3493 E C 1.999 178.491 176.600 -0.179 0.000 0.984 3493 E CA 1.505 57.716 56.400 -0.314 0.000 0.806 3493 E CB -0.119 29.144 29.700 -0.728 0.000 0.750 3493 E HN 0.523 nan 8.360 nan 0.000 0.458 3494 A N 0.677 123.395 122.820 -0.170 0.000 1.930 3494 A HA -0.025 4.281 4.320 -0.023 0.000 0.217 3494 A C 2.419 179.997 177.584 -0.009 0.000 1.175 3494 A CA 1.885 53.864 52.037 -0.097 0.000 0.627 3494 A CB -0.947 17.979 19.000 -0.123 0.000 0.815 3494 A HN 0.357 nan 8.150 nan 0.000 0.443 3495 A N 0.136 122.973 122.820 0.028 0.000 1.883 3495 A HA -0.213 4.093 4.320 -0.023 0.000 0.217 3495 A C 2.117 179.724 177.584 0.038 0.000 1.186 3495 A CA 1.956 54.034 52.037 0.068 0.000 0.624 3495 A CB -0.466 18.589 19.000 0.091 0.000 0.822 3495 A HN 0.569 nan 8.150 nan 0.000 0.444 3496 K N -0.387 120.019 120.400 0.009 0.000 2.057 3496 K HA -0.010 4.296 4.320 -0.023 0.000 0.206 3496 K C 2.302 178.904 176.600 0.004 0.000 1.050 3496 K CA 1.078 57.367 56.287 0.004 0.000 0.935 3496 K CB -0.353 32.142 32.500 -0.008 0.000 0.715 3496 K HN 0.425 nan 8.250 nan 0.000 0.439 3497 A N 1.527 124.344 122.820 -0.006 0.000 1.978 3497 A HA -0.162 4.144 4.320 -0.023 0.000 0.220 3497 A C 2.081 179.675 177.584 0.017 0.000 1.170 3497 A CA 1.189 53.227 52.037 0.001 0.000 0.636 3497 A CB -0.448 18.545 19.000 -0.013 0.000 0.810 3497 A HN 0.238 nan 8.150 nan 0.000 0.448 3498 L N -0.816 120.424 121.223 0.027 0.000 1.993 3498 L HA -0.060 4.266 4.340 -0.023 0.000 0.206 3498 L C 2.517 179.400 176.870 0.022 0.000 1.074 3498 L CA 2.926 57.793 54.840 0.044 0.000 0.746 3498 L CB -1.340 40.762 42.059 0.071 0.000 0.896 3498 L HN 0.331 nan 8.230 nan 0.000 0.435 3499 T N -1.352 113.206 114.554 0.007 0.000 2.803 3499 T HA -0.178 4.158 4.350 -0.023 0.000 0.269 3499 T C 2.147 176.841 174.700 -0.010 0.000 1.052 3499 T CA 1.759 63.844 62.100 -0.025 0.000 1.136 3499 T CB -0.525 68.323 68.868 -0.033 0.000 0.864 3499 T HN 0.721 nan 8.240 nan 0.000 0.467 3500 S N 0.452 116.154 115.700 0.004 0.000 2.442 3500 S HA -0.116 4.340 4.470 -0.023 0.000 0.236 3500 S C 1.821 176.428 174.600 0.012 0.000 1.007 3500 S CA 1.015 59.220 58.200 0.008 0.000 0.965 3500 S CB -0.471 62.736 63.200 0.012 0.000 0.773 3500 S HN 0.751 nan 8.310 nan 0.000 0.504 3501 Q N 0.152 119.962 119.800 0.016 0.000 2.360 3501 Q HA 0.386 4.712 4.340 -0.023 0.000 0.202 3501 Q C 0.163 176.176 176.000 0.022 0.000 0.915 3501 Q CA -0.206 55.611 55.803 0.023 0.000 0.943 3501 Q CB 0.172 28.932 28.738 0.036 0.000 1.064 3501 Q HN 0.541 nan 8.270 nan 0.000 0.511 3502 L N 2.701 123.930 121.223 0.009 0.000 2.360 3502 L HA 0.154 4.480 4.340 -0.023 0.000 0.276 3502 L C 0.274 177.149 176.870 0.009 0.000 1.121 3502 L CA -0.061 54.781 54.840 0.004 0.000 0.845 3502 L CB 0.842 42.886 42.059 -0.026 0.000 1.143 3502 L HN 0.133 nan 8.230 nan 0.000 0.452 3503 T N -0.392 114.172 114.554 0.016 0.000 2.934 3503 T HA 0.216 4.552 4.350 -0.023 0.000 0.283 3503 T C 0.732 175.441 174.700 0.015 0.000 1.005 3503 T CA -0.882 61.227 62.100 0.016 0.000 1.041 3503 T CB 1.477 70.356 68.868 0.018 0.000 1.042 3503 T HN 0.543 nan 8.240 nan 0.000 0.505 3504 D N 0.538 120.946 120.400 0.014 0.000 2.103 3504 D HA -0.158 4.468 4.640 -0.023 0.000 0.190 3504 D C 1.771 178.080 176.300 0.015 0.000 0.997 3504 D CA 1.709 55.718 54.000 0.014 0.000 0.833 3504 D CB -0.372 40.435 40.800 0.012 0.000 0.961 3504 D HN 0.906 nan 8.370 nan 0.000 0.447 3505 E N 0.724 120.932 120.200 0.013 0.000 2.097 3505 E HA -0.243 4.093 4.350 -0.023 0.000 0.196 3505 E C 1.705 178.314 176.600 0.015 0.000 1.000 3505 E CA 1.290 57.696 56.400 0.010 0.000 0.804 3505 E CB 0.046 29.751 29.700 0.008 0.000 0.740 3505 E HN 0.369 nan 8.360 nan 0.000 0.454 3506 E N 0.218 120.432 120.200 0.023 0.000 2.204 3506 E HA -0.135 4.202 4.350 -0.023 0.000 0.194 3506 E C 2.231 178.856 176.600 0.041 0.000 0.989 3506 E CA 0.473 56.893 56.400 0.034 0.000 0.824 3506 E CB -0.008 29.716 29.700 0.041 0.000 0.756 3506 E HN 0.343 nan 8.360 nan 0.000 0.477 3507 L N 0.536 121.779 121.223 0.033 0.000 2.109 3507 L HA -0.118 4.208 4.340 -0.023 0.000 0.207 3507 L C 2.446 179.348 176.870 0.054 0.000 1.086 3507 L CA 0.710 55.575 54.840 0.041 0.000 0.760 3507 L CB -0.221 41.856 42.059 0.030 0.000 0.910 3507 L HN 0.145 nan 8.230 nan 0.000 0.437 3508 A N -0.559 122.281 122.820 0.034 0.000 1.877 3508 A HA -0.277 4.029 4.320 -0.023 0.000 0.216 3508 A C 2.081 179.670 177.584 0.008 0.000 1.186 3508 A CA 1.597 53.646 52.037 0.021 0.000 0.620 3508 A CB -0.508 18.490 19.000 -0.002 0.000 0.822 3508 A HN 0.516 nan 8.150 nan 0.000 0.443 3509 Q N -1.848 117.955 119.800 0.004 0.000 2.234 3509 Q HA 0.028 4.354 4.340 -0.023 0.000 0.206 3509 Q C 1.238 177.267 176.000 0.049 0.000 0.980 3509 Q CA 0.975 56.769 55.803 -0.015 0.000 0.869 3509 Q CB -0.205 28.541 28.738 0.013 0.000 0.912 3509 Q HN 1.000 nan 8.270 nan 0.000 0.436 3510 G N 0.478 109.354 108.800 0.128 0.000 2.148 3510 G HA2 -0.187 3.759 3.960 -0.023 0.000 0.157 3510 G HA3 -0.187 3.759 3.960 -0.023 0.000 0.157 3510 G C -0.423 174.619 174.900 0.236 0.000 1.012 3510 G CA -0.627 44.622 45.100 0.248 0.000 0.677 3510 G HN 0.114 nan 8.290 nan 0.000 0.506 3511 R N 0.220 120.813 120.500 0.155 0.000 2.234 3511 R HA 0.539 4.865 4.340 -0.023 0.000 0.324 3511 R C 1.231 177.563 176.300 0.053 0.000 1.054 3511 R CA -0.443 55.739 56.100 0.136 0.000 0.912 3511 R CB 0.652 31.021 30.300 0.115 0.000 1.030 3511 R HN 0.233 nan 8.270 nan 0.000 0.455 3512 L N 3.236 124.453 121.223 -0.010 0.000 2.607 3512 L HA 0.212 4.538 4.340 -0.023 0.000 0.228 3512 L C -0.474 175.977 176.870 -0.698 0.000 1.123 3512 L CA 0.219 54.883 54.840 -0.295 0.000 0.890 3512 L CB -0.009 41.855 42.059 -0.325 0.000 1.103 3512 L HN 0.585 nan 8.230 nan 0.000 0.468 3513 Y N -1.842 118.405 120.300 -0.087 0.000 2.597 3513 Y HA 0.431 4.967 4.550 -0.024 0.000 0.340 3513 Y C -2.440 173.392 175.900 -0.113 0.000 1.097 3513 Y CA -2.706 55.261 58.100 -0.223 0.000 1.037 3513 Y CB 0.945 39.093 38.460 -0.520 0.000 1.305 3513 Y HN -0.222 nan 8.280 nan 0.000 0.463 3514 P HA 0.113 nan 4.420 nan 0.000 0.269 3514 P C -2.613 174.818 177.300 0.218 0.000 1.215 3514 P CA -0.977 62.199 63.100 0.126 0.000 0.780 3514 P CB 0.040 31.824 31.700 0.139 0.000 0.898 3515 P HA -0.053 nan 4.420 nan 0.000 0.264 3515 P C 0.757 178.176 177.300 0.199 0.000 1.183 3515 P CA 0.073 63.275 63.100 0.169 0.000 0.763 3515 P CB 0.275 32.038 31.700 0.105 0.000 0.807 3516 L N 4.788 126.125 121.223 0.190 0.000 2.187 3516 L HA -0.174 4.152 4.340 -0.023 0.000 0.213 3516 L C 2.073 178.946 176.870 0.005 0.000 1.100 3516 L CA 1.999 56.882 54.840 0.072 0.000 0.765 3516 L CB -1.324 40.760 42.059 0.043 0.000 0.904 3516 L HN 0.433 nan 8.230 nan 0.000 0.437 3517 A N -0.917 121.926 122.820 0.037 0.000 2.070 3517 A HA -0.176 4.130 4.320 -0.023 0.000 0.220 3517 A C 1.624 179.213 177.584 0.008 0.000 1.159 3517 A CA 1.802 53.849 52.037 0.017 0.000 0.656 3517 A CB -0.683 18.334 19.000 0.028 0.000 0.800 3517 A HN 0.620 nan 8.150 nan 0.000 0.453 3518 N N -0.612 118.104 118.700 0.026 0.000 2.234 3518 N HA 0.185 4.911 4.740 -0.023 0.000 0.227 3518 N C 0.958 176.473 175.510 0.008 0.000 1.151 3518 N CA -0.301 52.761 53.050 0.021 0.000 0.865 3518 N CB 0.361 38.873 38.487 0.043 0.000 1.066 3518 N HN 0.251 nan 8.380 nan 0.000 0.515 3519 I N 1.004 121.552 120.570 -0.036 0.000 2.300 3519 I HA -0.318 3.838 4.170 -0.023 0.000 0.252 3519 I C 1.441 177.507 176.117 -0.085 0.000 1.119 3519 I CA 1.715 62.951 61.300 -0.106 0.000 1.384 3519 I CB -0.226 37.622 38.000 -0.254 0.000 1.062 3519 I HN 0.250 nan 8.210 nan 0.000 0.426 3520 Q N 0.149 119.910 119.800 -0.064 0.000 1.993 3520 Q HA -0.245 4.081 4.340 -0.023 0.000 0.202 3520 Q C 2.193 178.172 176.000 -0.035 0.000 0.984 3520 Q CA 2.172 57.943 55.803 -0.054 0.000 0.837 3520 Q CB -0.426 28.288 28.738 -0.040 0.000 0.902 3520 Q HN 0.551 nan 8.270 nan 0.000 0.423 3521 E N 0.017 120.206 120.200 -0.018 0.000 2.110 3521 E HA -0.173 4.163 4.350 -0.023 0.000 0.193 3521 E C 1.832 178.435 176.600 0.006 0.000 0.988 3521 E CA 1.183 57.580 56.400 -0.005 0.000 0.804 3521 E CB 0.113 29.815 29.700 0.004 0.000 0.745 3521 E HN 0.175 nan 8.360 nan 0.000 0.458 3522 V N 0.608 120.534 119.914 0.020 0.000 2.343 3522 V HA -0.236 3.870 4.120 -0.023 0.000 0.247 3522 V C 2.375 178.482 176.094 0.021 0.000 1.051 3522 V CA 1.902 64.231 62.300 0.048 0.000 1.036 3522 V CB -0.396 31.499 31.823 0.121 0.000 0.654 3522 V HN 0.256 nan 8.190 nan 0.000 0.451 3523 S N -0.097 115.591 115.700 -0.019 0.000 2.382 3523 S HA -0.100 4.356 4.470 -0.023 0.000 0.228 3523 S C 1.917 176.490 174.600 -0.045 0.000 1.027 3523 S CA 1.232 59.398 58.200 -0.056 0.000 0.991 3523 S CB -0.232 62.902 63.200 -0.111 0.000 0.823 3523 S HN 0.389 nan 8.310 nan 0.000 0.469 3524 I N 2.646 123.197 120.570 -0.032 0.000 2.252 3524 I HA -0.109 4.047 4.170 -0.023 0.000 0.245 3524 I C 1.878 177.991 176.117 -0.005 0.000 1.102 3524 I CA 1.115 62.402 61.300 -0.021 0.000 1.385 3524 I CB -1.516 36.474 38.000 -0.017 0.000 1.064 3524 I HN 0.260 nan 8.210 nan 0.000 0.414 3525 N N 1.108 119.809 118.700 0.002 0.000 2.166 3525 N HA -0.109 4.617 4.740 -0.023 0.000 0.186 3525 N C 1.971 177.486 175.510 0.009 0.000 1.019 3525 N CA 1.155 54.212 53.050 0.012 0.000 0.856 3525 N CB -0.188 38.310 38.487 0.018 0.000 0.993 3525 N HN 0.380 nan 8.380 nan 0.000 0.426 3526 I N 0.863 121.432 120.570 -0.001 0.000 2.315 3526 I HA -0.175 3.981 4.170 -0.023 0.000 0.248 3526 I C 2.280 178.382 176.117 -0.025 0.000 1.117 3526 I CA 0.687 61.977 61.300 -0.015 0.000 1.404 3526 I CB -0.262 37.723 38.000 -0.024 0.000 1.071 3526 I HN 0.044 nan 8.210 nan 0.000 0.419 3527 A N 1.314 124.119 122.820 -0.025 0.000 1.877 3527 A HA -0.182 4.124 4.320 -0.023 0.000 0.216 3527 A C 2.287 179.888 177.584 0.029 0.000 1.186 3527 A CA 1.495 53.523 52.037 -0.016 0.000 0.620 3527 A CB -0.809 18.178 19.000 -0.021 0.000 0.822 3527 A HN 0.355 nan 8.150 nan 0.000 0.443 3528 I N -0.941 119.653 120.570 0.040 0.000 2.163 3528 I HA -0.280 3.876 4.170 -0.023 0.000 0.243 3528 I C 2.547 178.709 176.117 0.074 0.000 1.085 3528 I CA 1.792 63.134 61.300 0.071 0.000 1.347 3528 I CB -0.240 37.794 38.000 0.056 0.000 1.044 3528 I HN 0.161 nan 8.210 nan 0.000 0.408 3529 K N 0.562 120.991 120.400 0.049 0.000 2.026 3529 K HA -0.097 4.209 4.320 -0.023 0.000 0.208 3529 K C 1.920 178.563 176.600 0.072 0.000 1.048 3529 K CA 1.137 57.456 56.287 0.054 0.000 0.929 3529 K CB -0.530 31.985 32.500 0.024 0.000 0.713 3529 K HN 0.093 nan 8.250 nan 0.000 0.439 3530 V N 0.518 120.449 119.914 0.030 0.000 2.490 3530 V HA -0.240 3.866 4.120 -0.023 0.000 0.250 3530 V C 1.929 178.082 176.094 0.099 0.000 1.061 3530 V CA 2.132 64.448 62.300 0.027 0.000 1.064 3530 V CB -0.614 31.167 31.823 -0.071 0.000 0.670 3530 V HN 0.395 nan 8.190 nan 0.000 0.461 3531 T N -0.148 114.466 114.554 0.100 0.000 2.737 3531 T HA -0.185 4.151 4.350 -0.023 0.000 0.265 3531 T C 1.804 176.621 174.700 0.196 0.000 1.038 3531 T CA 1.702 63.886 62.100 0.140 0.000 1.144 3531 T CB -0.214 68.780 68.868 0.210 0.000 0.866 3531 T HN 0.626 nan 8.240 nan 0.000 0.434 3532 E N -0.048 120.262 120.200 0.184 0.000 2.110 3532 E HA -0.163 4.173 4.350 -0.023 0.000 0.193 3532 E C 1.936 178.630 176.600 0.156 0.000 0.988 3532 E CA 1.105 57.607 56.400 0.170 0.000 0.804 3532 E CB -0.274 29.497 29.700 0.118 0.000 0.745 3532 E HN 0.571 nan 8.360 nan 0.000 0.458 3533 Y N 1.515 121.838 120.300 0.038 0.000 2.181 3533 Y HA -0.188 4.360 4.550 -0.003 0.000 0.288 3533 Y C 1.970 177.869 175.900 -0.001 0.000 1.146 3533 Y CA 1.363 59.471 58.100 0.013 0.000 1.164 3533 Y CB -0.103 38.351 38.460 -0.010 0.000 0.982 3533 Y HN -0.069 nan 8.280 nan 0.000 0.515 3534 L N -1.475 119.782 121.223 0.057 0.000 2.093 3534 L HA -0.248 4.078 4.340 -0.023 0.000 0.208 3534 L C 2.082 178.838 176.870 -0.191 0.000 1.085 3534 L CA 1.497 56.283 54.840 -0.090 0.000 0.755 3534 L CB -0.770 41.231 42.059 -0.097 0.000 0.904 3534 L HN 0.252 nan 8.230 nan 0.000 0.435 3535 Y N -0.396 119.850 120.300 -0.090 0.000 2.220 3535 Y HA -0.183 4.347 4.550 -0.034 0.000 0.291 3535 Y C 2.660 178.470 175.900 -0.149 0.000 1.129 3535 Y CA 0.852 58.880 58.100 -0.120 0.000 1.161 3535 Y CB -0.216 38.184 38.460 -0.100 0.000 0.997 3535 Y HN 0.126 nan 8.280 nan 0.000 0.522 3536 A N 0.259 123.079 122.820 -0.000 0.000 1.933 3536 A HA -0.179 4.127 4.320 -0.023 0.000 0.218 3536 A C 1.519 179.006 177.584 -0.162 0.000 1.175 3536 A CA 1.724 53.711 52.037 -0.083 0.000 0.628 3536 A CB -0.498 18.440 19.000 -0.104 0.000 0.814 3536 A HN 0.446 nan 8.150 nan 0.000 0.444 3537 N N -0.060 118.475 118.700 -0.274 0.000 2.327 3537 N HA 0.137 4.863 4.740 -0.023 0.000 0.231 3537 N C -0.503 174.903 175.510 -0.173 0.000 1.130 3537 N CA 0.072 52.962 53.050 -0.266 0.000 0.845 3537 N CB 0.275 38.489 38.487 -0.455 0.000 1.073 3537 N HN 0.180 nan 8.380 nan 0.000 0.496 3541 F N 0.966 120.868 119.950 -0.080 0.000 2.688 3541 F HA 0.300 4.821 4.527 -0.009 0.000 0.310 3541 F C 1.294 177.190 175.800 0.160 0.000 1.098 3541 F CA -0.205 57.828 58.000 0.055 0.000 1.228 3541 F CB 0.676 39.707 39.000 0.052 0.000 1.042 3541 F HN 0.555 nan 8.300 nan 0.000 0.557 3542 R N 2.284 122.933 120.500 0.248 0.000 2.370 3542 R HA 0.101 4.427 4.340 -0.023 0.000 0.309 3542 R C -1.253 175.229 176.300 0.303 0.000 1.059 3542 R CA 0.045 56.297 56.100 0.255 0.000 0.981 3542 R CB -0.283 30.152 30.300 0.225 0.000 0.972 3542 R HN 0.339 nan 8.270 nan 0.000 0.437 3543 Y N 3.717 124.102 120.300 0.142 0.000 2.485 3543 Y HA 0.697 5.232 4.550 -0.025 0.000 0.345 3543 Y C -2.296 173.640 175.900 0.059 0.000 0.998 3543 Y CA -2.499 55.653 58.100 0.087 0.000 1.059 3543 Y CB 0.740 39.246 38.460 0.076 0.000 1.234 3543 Y HN 0.472 nan 8.280 nan 0.000 0.461 3544 P HA 0.155 nan 4.420 nan 0.000 0.277 3544 P C -1.181 176.092 177.300 -0.045 0.000 1.271 3544 P CA -0.580 62.581 63.100 0.102 0.000 0.795 3544 P CB 1.163 32.894 31.700 0.051 0.000 1.101 3545 E N 0.844 120.955 120.200 -0.147 0.000 2.290 3545 E HA 0.188 4.524 4.350 -0.023 0.000 0.277 3545 E C -1.981 174.332 176.600 -0.479 0.000 1.035 3545 E CA -1.819 54.283 56.400 -0.498 0.000 0.873 3545 E CB 0.080 29.421 29.700 -0.597 0.000 1.029 3545 E HN 0.221 nan 8.360 nan 0.000 0.419 3546 P HA -0.020 nan 4.420 nan 0.000 0.268 3546 P C 0.100 177.214 177.300 -0.310 0.000 1.204 3546 P CA -0.053 62.798 63.100 -0.415 0.000 0.768 3546 P CB 0.758 32.110 31.700 -0.580 0.000 0.842 3547 E N 1.028 121.124 120.200 -0.173 0.000 2.046 3547 E HA -0.113 4.223 4.350 -0.023 0.000 0.190 3547 E C 0.335 176.880 176.600 -0.092 0.000 0.982 3547 E CA 1.361 57.685 56.400 -0.126 0.000 0.800 3547 E CB -0.079 29.575 29.700 -0.076 0.000 0.756 3547 E HN 0.488 nan 8.360 nan 0.000 0.449 3548 D N 0.481 120.849 120.400 -0.053 0.000 2.473 3548 D HA 0.092 4.718 4.640 -0.023 0.000 0.226 3548 D C 0.449 176.768 176.300 0.032 0.000 1.089 3548 D CA -0.255 53.740 54.000 -0.008 0.000 0.883 3548 D CB 0.910 41.717 40.800 0.012 0.000 1.029 3548 D HN -0.286 nan 8.370 nan 0.000 0.517 3549 K N 2.093 122.509 120.400 0.027 0.000 2.097 3549 K HA -0.065 4.241 4.320 -0.023 0.000 0.206 3549 K C 1.826 178.518 176.600 0.153 0.000 1.049 3549 K CA 1.334 57.683 56.287 0.104 0.000 0.933 3549 K CB -0.171 32.384 32.500 0.092 0.000 0.717 3549 K HN 0.440 nan 8.250 nan 0.000 0.442 3550 A N 1.048 123.923 122.820 0.091 0.000 1.877 3550 A HA -0.234 4.072 4.320 -0.023 0.000 0.216 3550 A C 2.132 179.759 177.584 0.071 0.000 1.186 3550 A CA 1.943 54.023 52.037 0.071 0.000 0.620 3550 A CB -0.455 18.570 19.000 0.043 0.000 0.822 3550 A HN 0.308 nan 8.150 nan 0.000 0.443 3551 K N -1.874 118.570 120.400 0.075 0.000 2.057 3551 K HA -0.202 4.104 4.320 -0.023 0.000 0.206 3551 K C 1.949 178.605 176.600 0.094 0.000 1.050 3551 K CA 1.614 57.940 56.287 0.064 0.000 0.935 3551 K CB -0.417 32.116 32.500 0.055 0.000 0.715 3551 K HN 0.472 nan 8.250 nan 0.000 0.439 3552 Y N 1.506 121.810 120.300 0.007 0.000 2.053 3552 Y HA -0.299 4.241 4.550 -0.018 0.000 0.277 3552 Y C 1.918 177.833 175.900 0.026 0.000 1.159 3552 Y CA 1.897 60.008 58.100 0.018 0.000 1.125 3552 Y CB -0.599 37.880 38.460 0.030 0.000 0.969 3552 Y HN -0.137 nan 8.280 nan 0.000 0.492 3553 V N 0.739 120.648 119.914 -0.009 0.000 2.261 3553 V HA -0.320 3.786 4.120 -0.023 0.000 0.246 3553 V C 2.304 178.338 176.094 -0.100 0.000 1.047 3553 V CA 2.434 64.671 62.300 -0.105 0.000 1.015 3553 V CB -0.683 31.155 31.823 0.025 0.000 0.642 3553 V HN 0.335 nan 8.190 nan 0.000 0.446 3554 K N -0.113 120.263 120.400 -0.041 0.000 2.152 3554 K HA -0.215 4.092 4.320 -0.023 0.000 0.206 3554 K C 2.023 178.588 176.600 -0.057 0.000 1.048 3554 K CA 1.698 57.962 56.287 -0.039 0.000 0.933 3554 K CB -0.199 32.291 32.500 -0.017 0.000 0.721 3554 K HN 0.591 nan 8.250 nan 0.000 0.447 3555 E N 0.159 120.317 120.200 -0.070 0.000 2.274 3555 E HA -0.104 4.232 4.350 -0.023 0.000 0.194 3555 E C 1.342 177.887 176.600 -0.091 0.000 0.996 3555 E CA 0.582 56.940 56.400 -0.070 0.000 0.840 3555 E CB 0.167 29.835 29.700 -0.053 0.000 0.772 3555 E HN 0.236 nan 8.360 nan 0.000 0.491 3556 R N 0.915 121.335 120.500 -0.134 0.000 2.393 3556 R HA 0.056 4.382 4.340 -0.023 0.000 0.244 3556 R C 0.319 176.588 176.300 -0.052 0.000 0.920 3556 R CA 0.084 56.114 56.100 -0.117 0.000 1.076 3556 R CB 0.542 30.708 30.300 -0.222 0.000 1.119 3556 R HN 0.038 nan 8.270 nan 0.000 0.524 3557 T N -1.629 112.899 114.554 -0.042 0.000 2.851 3557 T HA 0.060 4.396 4.350 -0.023 0.000 0.298 3557 T C -0.216 174.511 174.700 0.045 0.000 0.977 3557 T CA -0.744 61.360 62.100 0.006 0.000 1.126 3557 T CB 1.070 69.929 68.868 -0.016 0.000 0.916 3557 T HN 0.218 nan 8.240 nan 0.000 0.529 3558 W N 3.303 124.551 121.300 -0.088 0.000 2.181 3558 W HA 0.469 5.114 4.660 -0.024 0.000 0.335 3558 W C 0.205 176.665 176.519 -0.098 0.000 1.310 3558 W CA -0.574 56.717 57.345 -0.089 0.000 1.226 3558 W CB 0.487 29.881 29.460 -0.109 0.000 1.155 3558 W HN 0.624 nan 8.180 nan 0.000 0.565 3559 R N 2.040 122.028 120.500 -0.853 0.000 2.732 3559 R HA 0.269 4.595 4.340 -0.023 0.000 0.278 3559 R C 1.121 176.609 176.300 -1.354 0.000 0.976 3559 R CA 0.089 55.727 56.100 -0.771 0.000 0.963 3559 R CB 1.717 31.731 30.300 -0.477 0.000 1.150 3559 R HN 0.511 nan 8.270 nan 0.000 0.478 3560 S N -0.098 115.131 115.700 -0.784 0.000 2.558 3560 S HA 0.089 4.545 4.470 -0.023 0.000 0.217 3560 S C -0.020 174.278 174.600 -0.503 0.000 0.975 3560 S CA -0.101 57.723 58.200 -0.626 0.000 0.912 3560 S CB -0.066 63.025 63.200 -0.181 0.000 0.776 3560 S HN 0.498 nan 8.310 nan 0.000 0.526 3561 E N 1.560 121.494 120.200 -0.443 0.000 2.392 3561 E HA 0.276 4.612 4.350 -0.023 0.000 0.264 3561 E C -0.609 175.814 176.600 -0.296 0.000 1.024 3561 E CA -0.122 56.071 56.400 -0.344 0.000 0.903 3561 E CB 0.062 29.628 29.700 -0.224 0.000 0.963 3561 E HN 0.491 nan 8.360 nan 0.000 0.432 3562 Y N 1.364 121.580 120.300 -0.139 0.000 2.578 3562 Y HA 0.007 4.543 4.550 -0.023 0.000 0.339 3562 Y C 0.761 176.596 175.900 -0.108 0.000 1.231 3562 Y CA 0.151 58.178 58.100 -0.121 0.000 1.461 3562 Y CB 0.670 39.059 38.460 -0.118 0.000 1.323 3562 Y HN 0.363 nan 8.280 nan 0.000 0.590 3563 D N 0.364 120.830 120.400 0.110 0.000 2.272 3563 D HA 0.113 4.739 4.640 -0.023 0.000 0.247 3563 D C -0.692 175.635 176.300 0.045 0.000 0.990 3563 D CA -0.497 53.528 54.000 0.043 0.000 0.931 3563 D CB 1.894 42.714 40.800 0.033 0.000 1.195 3563 D HN 0.366 nan 8.370 nan 0.000 0.477 3564 S N 0.431 116.152 115.700 0.034 0.000 2.548 3564 S HA 0.181 4.637 4.470 -0.023 0.000 0.277 3564 S C 0.928 175.559 174.600 0.051 0.000 1.315 3564 S CA -0.441 57.780 58.200 0.036 0.000 1.050 3564 S CB 0.213 63.432 63.200 0.033 0.000 0.918 3564 S HN 0.338 nan 8.310 nan 0.000 0.497 3565 L N 4.597 125.861 121.223 0.069 0.000 2.728 3565 L HA 0.330 4.656 4.340 -0.023 0.000 0.238 3565 L C 0.049 176.962 176.870 0.072 0.000 1.143 3565 L CA -0.129 54.764 54.840 0.087 0.000 0.937 3565 L CB -0.044 42.103 42.059 0.146 0.000 1.225 3565 L HN 0.505 nan 8.230 nan 0.000 0.507 3566 L N 2.639 123.897 121.223 0.059 0.000 2.453 3566 L HA 0.148 4.474 4.340 -0.023 0.000 0.272 3566 L C -1.491 175.406 176.870 0.045 0.000 1.182 3566 L CA -1.328 53.540 54.840 0.046 0.000 0.858 3566 L CB 0.218 42.302 42.059 0.042 0.000 1.120 3566 L HN -0.036 nan 8.230 nan 0.000 0.474 3567 P HA 0.035 nan 4.420 nan 0.000 0.274 3567 P C -0.954 176.381 177.300 0.058 0.000 1.231 3567 P CA -0.526 62.596 63.100 0.038 0.000 0.790 3567 P CB 0.747 32.455 31.700 0.013 0.000 0.951 3568 D N 1.602 122.058 120.400 0.094 0.000 2.357 3568 D HA 0.119 4.745 4.640 -0.023 0.000 0.265 3568 D C -0.555 175.862 176.300 0.196 0.000 1.334 3568 D CA 0.161 54.265 54.000 0.174 0.000 0.984 3568 D CB -0.269 40.670 40.800 0.231 0.000 1.077 3568 D HN -0.060 nan 8.370 nan 0.000 0.514 3569 V N 5.873 125.871 119.914 0.140 0.000 2.394 3569 V HA 0.476 4.582 4.120 -0.023 0.000 0.282 3569 V C -0.402 175.779 176.094 0.145 0.000 1.031 3569 V CA -0.548 61.764 62.300 0.020 0.000 0.881 3569 V CB 0.638 32.449 31.823 -0.019 0.000 0.982 3569 V HN 0.412 nan 8.190 nan 0.000 0.451 3570 Y N 1.328 121.630 120.300 0.005 0.000 2.592 3570 Y HA 0.742 5.278 4.550 -0.023 0.000 0.334 3570 Y C -0.724 175.207 175.900 0.051 0.000 1.136 3570 Y CA -1.550 56.573 58.100 0.039 0.000 1.042 3570 Y CB 1.226 39.731 38.460 0.074 0.000 1.325 3570 Y HN 0.486 nan 8.280 nan 0.000 0.457 3571 E N 1.384 121.736 120.200 0.254 0.000 2.338 3571 E HA 0.223 4.559 4.350 -0.023 0.000 0.272 3571 E C -1.599 175.245 176.600 0.405 0.000 1.029 3571 E CA -0.157 56.366 56.400 0.205 0.000 0.872 3571 E CB 0.552 30.341 29.700 0.149 0.000 1.015 3571 E HN 0.552 nan 8.360 nan 0.000 0.417 3572 W N 5.573 126.921 121.300 0.080 0.000 2.338 3572 W HA 0.293 4.939 4.660 -0.023 0.000 0.307 3572 W C -1.399 175.156 176.519 0.059 0.000 1.167 3572 W CA -2.449 54.949 57.345 0.089 0.000 1.208 3572 W CB -0.038 29.449 29.460 0.044 0.000 1.228 3572 W HN 0.553 nan 8.180 nan 0.000 0.499 3573 P HA 0.000 nan 4.420 nan 0.000 0.216 3573 P CA 0.000 63.153 63.100 0.088 0.000 0.800 3573 P CB 0.000 31.711 31.700 0.018 0.000 0.726