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 2z67_1_C DATA FIRST_RESID 2 DATA SEQUENCE LDFNIEGLIP KNXEKRGELV LNEYLKEIED VFNHRKIPEN GIDDEKIKLF DATA SEQUENCE LKFLSXXDTD KDPKSVRIGE REARTYSKIH EELSSGFCHG IGRSGNLVDP DATA SEQUENCE QPKASGASIX YALTNKILES FFKQLGLNVH AIATPISTGX SISLCLSAAR DATA SEQUENCE KKYGSNVVIY PYASHKSPIK AVSFVGXNXR LVETVLDGDR VYVPVEDIEN DATA SEQUENCE AIKKEIELGN RPCVLSTLTF FPPRNSDDIV EIAKICENYD IPHIINGAYA DATA SEQUENCE IQNNYYLEKL KKAFKYRVDA VVSSSDKNLL TPIGGGLVYS TDAEFIKEIS DATA SEQUENCE LSYPGRASAT PVVNTLVSLL SXGSKNYLEL VKNQKNSKKL LDELLNDLSK DATA SEQUENCE KTGGKFLDVE SPIASCISVN SDPVEIAAKL YNLRVTGPRG IKKTDHFGNC DATA SEQUENCE YLGTYTHDYI VXNAAIGVRT EDIVNSVSKL EKI 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.864 176.870 -0.010 0.000 1.165 2 L CA 0.000 54.871 54.840 0.052 0.000 0.813 2 L CB 0.000 42.160 42.059 0.169 0.000 0.961 3 D N 3.021 123.425 120.400 0.007 0.000 2.947 3 D HA 0.732 5.372 4.640 -0.000 0.000 0.224 3 D C -1.571 174.733 176.300 0.007 0.000 1.230 3 D CA 0.052 53.969 54.000 -0.137 0.000 0.871 3 D CB 1.781 42.526 40.800 -0.093 0.000 1.671 3 D HN 0.306 nan 8.370 nan 0.000 0.507 4 F N 0.471 120.421 119.950 -0.000 0.000 2.678 4 F HA 0.435 4.962 4.527 -0.000 0.000 0.308 4 F C -0.476 175.324 175.800 0.001 0.000 1.118 4 F CA -1.282 56.717 58.000 -0.001 0.000 0.959 4 F CB 0.851 39.853 39.000 0.003 0.000 1.305 4 F HN 0.213 nan 8.300 nan 0.000 0.443 5 N N 2.078 120.902 118.700 0.207 0.000 2.418 5 N HA 0.065 4.805 4.740 -0.000 0.000 0.277 5 N C 0.080 175.691 175.510 0.169 0.000 1.317 5 N CA -0.005 53.117 53.050 0.121 0.000 0.922 5 N CB 0.380 38.921 38.487 0.090 0.000 1.194 5 N HN 0.627 nan 8.380 nan 0.000 0.485 6 I N 2.267 122.889 120.570 0.087 0.000 4.323 6 I HA -0.034 4.136 4.170 -0.000 0.000 0.328 6 I C 0.809 176.956 176.117 0.049 0.000 1.310 6 I CA 0.335 61.692 61.300 0.095 0.000 1.186 6 I CB -0.470 37.547 38.000 0.027 0.000 1.130 6 I HN 0.663 nan 8.210 nan 0.000 0.411 7 E N 1.208 121.424 120.200 0.026 0.000 2.436 7 E HA 0.200 4.549 4.350 -0.000 0.000 0.262 7 E C 0.965 177.578 176.600 0.021 0.000 1.063 7 E CA 0.558 56.967 56.400 0.016 0.000 0.944 7 E CB 0.308 30.012 29.700 0.007 0.000 0.950 7 E HN 0.288 nan 8.360 nan 0.000 0.444 8 G N 2.244 111.053 108.800 0.015 0.000 2.246 8 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.273 8 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.273 8 G C 0.221 175.132 174.900 0.017 0.000 1.055 8 G CA 0.572 45.681 45.100 0.014 0.000 0.851 8 G HN 0.479 nan 8.290 nan 0.000 0.500 9 L N -2.588 118.647 121.223 0.020 0.000 2.860 9 L HA 0.539 4.879 4.340 -0.000 0.000 0.251 9 L C 0.570 177.451 176.870 0.019 0.000 1.041 9 L CA -0.010 54.843 54.840 0.022 0.000 0.985 9 L CB 0.420 42.499 42.059 0.033 0.000 1.656 9 L HN 0.222 nan 8.230 nan 0.000 0.526 10 I N 0.085 120.666 120.570 0.018 0.000 2.969 10 I HA 0.440 4.610 4.170 -0.000 0.000 0.307 10 I C -2.175 173.948 176.117 0.010 0.000 1.149 10 I CA -2.258 59.051 61.300 0.015 0.000 1.008 10 I CB 2.029 40.041 38.000 0.019 0.000 1.232 10 I HN -0.152 nan 8.210 nan 0.000 0.435 11 P HA 0.088 nan 4.420 nan 0.000 0.269 11 P C 0.001 177.303 177.300 0.004 0.000 1.217 11 P CA -0.249 62.854 63.100 0.006 0.000 0.783 11 P CB 0.724 32.427 31.700 0.005 0.000 0.898 12 K N 1.679 122.080 120.400 0.002 0.000 2.103 12 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 12 K C 1.312 177.911 176.600 -0.001 0.000 1.048 12 K CA 0.980 57.266 56.287 -0.001 0.000 0.930 12 K CB -0.496 32.003 32.500 -0.002 0.000 0.716 12 K HN 0.641 nan 8.250 nan 0.000 0.444 16 K N 1.406 121.800 120.400 -0.010 0.000 2.062 16 K HA 0.105 4.424 4.320 -0.000 0.000 0.205 16 K C 2.133 178.730 176.600 -0.005 0.000 1.051 16 K CA 1.287 57.566 56.287 -0.012 0.000 0.941 16 K CB -0.050 32.445 32.500 -0.008 0.000 0.719 16 K HN -0.058 nan 8.250 nan 0.000 0.440 17 R N 0.121 120.622 120.500 0.001 0.000 2.081 17 R HA -0.022 4.317 4.340 -0.000 0.000 0.235 17 R C 2.136 178.443 176.300 0.011 0.000 1.131 17 R CA 1.734 57.839 56.100 0.008 0.000 0.960 17 R CB -1.084 29.222 30.300 0.009 0.000 0.856 17 R HN 0.419 nan 8.270 nan 0.000 0.436 18 G N 0.643 109.448 108.800 0.009 0.000 2.440 18 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 18 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 18 G C 1.343 176.249 174.900 0.009 0.000 1.154 18 G CA 0.628 45.737 45.100 0.014 0.000 0.767 18 G HN 0.418 nan 8.290 nan 0.000 0.552 19 E N -0.149 120.043 120.200 -0.013 0.000 2.072 19 E HA -0.011 4.338 4.350 -0.000 0.000 0.191 19 E C 2.535 179.136 176.600 0.002 0.000 0.985 19 E CA 0.298 56.680 56.400 -0.030 0.000 0.801 19 E CB -0.175 29.490 29.700 -0.059 0.000 0.750 19 E HN 0.361 nan 8.360 nan 0.000 0.452 20 L N 0.693 121.922 121.223 0.009 0.000 2.042 20 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 20 L C 2.399 179.296 176.870 0.044 0.000 1.076 20 L CA 0.915 55.769 54.840 0.023 0.000 0.749 20 L CB -0.144 41.927 42.059 0.020 0.000 0.893 20 L HN 0.046 nan 8.230 nan 0.000 0.432 21 V N -0.528 119.414 119.914 0.047 0.000 2.307 21 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 21 V C 2.276 178.434 176.094 0.107 0.000 1.045 21 V CA 1.611 63.952 62.300 0.068 0.000 1.024 21 V CB -0.505 31.346 31.823 0.048 0.000 0.651 21 V HN 0.394 nan 8.190 nan 0.000 0.449 22 L N 0.831 122.110 121.223 0.093 0.000 2.187 22 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 22 L C 2.046 179.022 176.870 0.176 0.000 1.100 22 L CA 1.890 56.813 54.840 0.138 0.000 0.765 22 L CB -1.020 41.106 42.059 0.113 0.000 0.904 22 L HN 0.321 nan 8.230 nan 0.000 0.437 23 N N -0.565 118.206 118.700 0.119 0.000 2.207 23 N HA -0.124 4.616 4.740 -0.000 0.000 0.182 23 N C 1.685 177.267 175.510 0.119 0.000 1.020 23 N CA 1.027 54.142 53.050 0.109 0.000 0.858 23 N CB -0.046 38.479 38.487 0.064 0.000 0.991 23 N HN 0.388 nan 8.380 nan 0.000 0.427 24 E N 0.515 120.784 120.200 0.116 0.000 2.110 24 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 24 E C 1.730 178.405 176.600 0.126 0.000 0.988 24 E CA 0.605 57.066 56.400 0.103 0.000 0.804 24 E CB -0.360 29.396 29.700 0.093 0.000 0.745 24 E HN 0.436 nan 8.360 nan 0.000 0.458 25 Y N 0.968 121.302 120.300 0.057 0.000 2.181 25 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 25 Y C 2.113 178.059 175.900 0.077 0.000 1.146 25 Y CA 1.400 59.537 58.100 0.062 0.000 1.164 25 Y CB -0.165 38.336 38.460 0.069 0.000 0.982 25 Y HN -0.046 nan 8.280 nan 0.000 0.515 26 L N -0.222 121.098 121.223 0.161 0.000 2.492 26 L HA -0.070 4.269 4.340 -0.000 0.000 0.223 26 L C 2.282 179.193 176.870 0.068 0.000 1.132 26 L CA 0.609 55.525 54.840 0.128 0.000 0.850 26 L CB -0.403 41.805 42.059 0.249 0.000 0.966 26 L HN 0.079 nan 8.230 nan 0.000 0.454 27 K N 1.005 121.433 120.400 0.047 0.000 2.077 27 K HA -0.261 4.059 4.320 -0.000 0.000 0.213 27 K C 1.917 178.522 176.600 0.008 0.000 1.051 27 K CA 1.848 58.158 56.287 0.037 0.000 0.929 27 K CB 0.026 32.545 32.500 0.032 0.000 0.715 27 K HN 0.331 nan 8.250 nan 0.000 0.451 28 E N -0.134 120.036 120.200 -0.050 0.000 2.106 28 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 28 E C 2.036 178.575 176.600 -0.102 0.000 0.984 28 E CA 1.254 57.605 56.400 -0.082 0.000 0.806 28 E CB -0.060 29.560 29.700 -0.133 0.000 0.750 28 E HN 0.366 nan 8.360 nan 0.000 0.458 29 I N 1.505 122.038 120.570 -0.063 0.000 2.163 29 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 29 I C 2.683 178.836 176.117 0.060 0.000 1.081 29 I CA 1.485 62.768 61.300 -0.028 0.000 1.353 29 I CB -0.408 37.701 38.000 0.182 0.000 1.054 29 I HN 0.160 nan 8.210 nan 0.000 0.407 30 E N 0.765 121.072 120.200 0.178 0.000 2.204 30 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 30 E C 1.339 177.996 176.600 0.094 0.000 0.989 30 E CA 1.412 57.959 56.400 0.245 0.000 0.824 30 E CB -0.254 29.552 29.700 0.177 0.000 0.756 30 E HN 0.378 nan 8.360 nan 0.000 0.477 31 D N 0.685 121.095 120.400 0.016 0.000 2.219 31 D HA -0.092 4.547 4.640 -0.000 0.000 0.205 31 D C 1.982 178.259 176.300 -0.039 0.000 0.970 31 D CA 0.829 54.826 54.000 -0.005 0.000 0.851 31 D CB 0.187 41.050 40.800 0.104 0.000 0.943 31 D HN 0.156 nan 8.370 nan 0.000 0.488 32 V N 0.011 119.840 119.914 -0.141 0.000 2.379 32 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 32 V C 2.062 178.048 176.094 -0.180 0.000 1.044 32 V CA 1.179 63.315 62.300 -0.273 0.000 1.036 32 V CB -0.630 30.793 31.823 -0.666 0.000 0.664 32 V HN 0.134 nan 8.190 nan 0.000 0.453 33 F N 0.724 120.681 119.950 0.012 0.000 2.146 33 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 33 F C 2.443 178.229 175.800 -0.023 0.000 1.096 33 F CA 1.430 59.463 58.000 0.056 0.000 1.275 33 F CB -0.359 38.700 39.000 0.098 0.000 1.008 33 F HN 0.201 nan 8.300 nan 0.000 0.480 34 N N -0.852 117.882 118.700 0.056 0.000 2.135 34 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 34 N C 1.614 177.010 175.510 -0.191 0.000 1.027 34 N CA 1.354 54.313 53.050 -0.151 0.000 0.849 34 N CB -0.563 37.690 38.487 -0.390 0.000 1.002 34 N HN 0.288 nan 8.380 nan 0.000 0.425 35 H N 0.171 119.271 119.070 0.050 0.000 2.486 35 H HA 0.292 4.847 4.556 -0.000 0.000 0.287 35 H C 0.248 175.587 175.328 0.018 0.000 1.010 35 H CA 0.285 56.348 56.048 0.025 0.000 1.324 35 H CB 0.365 30.129 29.762 0.004 0.000 1.446 35 H HN 0.095 nan 8.280 nan 0.000 0.537 36 R N 0.957 121.519 120.500 0.102 0.000 3.422 36 R HA -0.113 4.227 4.340 -0.000 0.000 0.267 36 R C -0.600 175.728 176.300 0.047 0.000 1.074 36 R CA 0.442 56.574 56.100 0.053 0.000 0.718 36 R CB -1.100 29.244 30.300 0.072 0.000 1.157 36 R HN 0.179 nan 8.270 nan 0.000 0.440 37 K N 0.439 120.864 120.400 0.042 0.000 2.400 37 K HA 0.420 4.740 4.320 -0.000 0.000 0.246 37 K C 0.190 176.786 176.600 -0.006 0.000 0.995 37 K CA -1.109 55.193 56.287 0.024 0.000 0.840 37 K CB 1.577 34.090 32.500 0.022 0.000 1.293 37 K HN 0.104 nan 8.250 nan 0.000 0.445 38 I N 4.453 125.026 120.570 0.004 0.000 2.533 38 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 38 I C -1.831 174.276 176.117 -0.017 0.000 1.109 38 I CA -1.420 59.876 61.300 -0.006 0.000 1.412 38 I CB 0.985 39.019 38.000 0.057 0.000 1.396 38 I HN 0.272 nan 8.210 nan 0.000 0.543 39 P HA 0.117 nan 4.420 nan 0.000 0.274 39 P C -0.229 177.059 177.300 -0.020 0.000 1.237 39 P CA -0.183 62.894 63.100 -0.038 0.000 0.793 39 P CB 0.854 32.517 31.700 -0.063 0.000 0.977 40 E N 0.535 120.723 120.200 -0.020 0.000 2.152 40 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 40 E C 0.179 176.777 176.600 -0.003 0.000 0.983 40 E CA 0.911 57.306 56.400 -0.009 0.000 0.818 40 E CB 0.022 29.712 29.700 -0.016 0.000 0.758 40 E HN 0.559 nan 8.360 nan 0.000 0.467 41 N N 0.066 118.757 118.700 -0.015 0.000 2.372 41 N HA 0.259 4.999 4.740 -0.000 0.000 0.291 41 N C -0.411 175.083 175.510 -0.025 0.000 1.024 41 N CA -0.627 52.415 53.050 -0.014 0.000 0.873 41 N CB 1.854 40.331 38.487 -0.018 0.000 1.206 41 N HN -0.025 nan 8.380 nan 0.000 0.486 42 G N 1.663 110.454 108.800 -0.016 0.000 2.432 42 G HA2 0.194 4.153 3.960 -0.000 0.000 0.239 42 G HA3 0.194 4.153 3.960 -0.000 0.000 0.239 42 G C 0.009 174.883 174.900 -0.044 0.000 1.291 42 G CA -0.192 44.892 45.100 -0.027 0.000 0.863 42 G HN 0.488 nan 8.290 nan 0.000 0.560 43 I N 1.407 121.938 120.570 -0.065 0.000 2.440 43 I HA 0.166 4.336 4.170 -0.000 0.000 0.294 43 I C 0.082 176.163 176.117 -0.060 0.000 0.995 43 I CA -0.851 60.399 61.300 -0.083 0.000 1.306 43 I CB 1.588 39.513 38.000 -0.126 0.000 1.407 43 I HN 0.647 nan 8.210 nan 0.000 0.501 44 D N 3.210 123.577 120.400 -0.055 0.000 2.362 44 D HA 0.010 4.650 4.640 -0.000 0.000 0.242 44 D C 0.416 176.706 176.300 -0.016 0.000 1.132 44 D CA -0.357 53.628 54.000 -0.024 0.000 0.907 44 D CB 0.740 41.536 40.800 -0.006 0.000 1.195 44 D HN 0.386 nan 8.370 nan 0.000 0.429 45 D N 0.560 120.961 120.400 0.002 0.000 2.133 45 D HA -0.249 4.391 4.640 -0.000 0.000 0.192 45 D C 1.930 178.242 176.300 0.020 0.000 1.001 45 D CA 1.754 55.761 54.000 0.011 0.000 0.844 45 D CB -0.221 40.588 40.800 0.015 0.000 0.944 45 D HN 0.794 nan 8.370 nan 0.000 0.447 46 E N 1.309 121.531 120.200 0.036 0.000 2.085 46 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 46 E C 1.779 178.411 176.600 0.053 0.000 0.994 46 E CA 1.003 57.438 56.400 0.058 0.000 0.801 46 E CB -0.428 29.335 29.700 0.105 0.000 0.743 46 E HN 0.272 nan 8.360 nan 0.000 0.453 47 K N 0.522 120.935 120.400 0.021 0.000 2.097 47 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 47 K C 2.362 178.954 176.600 -0.015 0.000 1.050 47 K CA 1.230 57.492 56.287 -0.041 0.000 0.938 47 K CB -0.137 32.251 32.500 -0.186 0.000 0.718 47 K HN 0.174 nan 8.250 nan 0.000 0.442 48 I N 1.156 121.728 120.570 0.004 0.000 2.315 48 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 48 I C 2.139 178.324 176.117 0.113 0.000 1.117 48 I CA 1.255 62.600 61.300 0.075 0.000 1.404 48 I CB -0.173 37.858 38.000 0.053 0.000 1.071 48 I HN 0.125 nan 8.210 nan 0.000 0.419 49 K N 0.416 120.840 120.400 0.040 0.000 2.057 49 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 49 K C 2.088 178.647 176.600 -0.067 0.000 1.049 49 K CA 1.228 57.518 56.287 0.004 0.000 0.931 49 K CB -0.183 32.314 32.500 -0.004 0.000 0.714 49 K HN 0.107 nan 8.250 nan 0.000 0.440 50 L N 0.562 121.717 121.223 -0.115 0.000 2.083 50 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 50 L C 2.016 178.549 176.870 -0.563 0.000 1.083 50 L CA 1.423 56.045 54.840 -0.362 0.000 0.752 50 L CB -0.506 41.366 42.059 -0.312 0.000 0.899 50 L HN 0.110 nan 8.230 nan 0.000 0.433 51 F N -0.388 119.359 119.950 -0.338 0.000 2.102 51 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 51 F C 1.992 177.803 175.800 0.018 0.000 1.105 51 F CA 1.764 59.683 58.000 -0.135 0.000 1.239 51 F CB -0.458 38.482 39.000 -0.099 0.000 0.991 51 F HN 0.024 nan 8.300 nan 0.000 0.474 52 L N 0.082 121.193 121.223 -0.188 0.000 2.201 52 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 52 L C 2.405 179.202 176.870 -0.122 0.000 1.105 52 L CA 1.385 56.122 54.840 -0.173 0.000 0.775 52 L CB -0.657 41.419 42.059 0.028 0.000 0.913 52 L HN 0.113 nan 8.230 nan 0.000 0.440 53 K N 0.583 120.900 120.400 -0.138 0.000 2.103 53 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 53 K C 1.917 178.563 176.600 0.076 0.000 1.052 53 K CA 1.490 57.723 56.287 -0.090 0.000 0.945 53 K CB -0.402 32.038 32.500 -0.100 0.000 0.722 53 K HN 0.144 nan 8.250 nan 0.000 0.443 54 F N 0.487 120.444 119.950 0.011 0.000 2.126 54 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 54 F C 1.894 177.710 175.800 0.026 0.000 1.096 54 F CA 0.650 58.678 58.000 0.048 0.000 1.255 54 F CB -0.113 38.981 39.000 0.157 0.000 0.997 54 F HN -0.022 nan 8.300 nan 0.000 0.479 55 L N -0.705 120.643 121.223 0.209 0.000 2.109 55 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 55 L C 1.817 178.788 176.870 0.168 0.000 1.086 55 L CA 0.166 55.123 54.840 0.194 0.000 0.760 55 L CB -0.628 41.542 42.059 0.185 0.000 0.910 55 L HN 0.052 nan 8.230 nan 0.000 0.437 60 T N 0.574 115.180 114.554 0.087 0.000 2.602 60 T HA -0.249 4.101 4.350 -0.000 0.000 0.264 60 T C 1.373 176.133 174.700 0.100 0.000 1.085 60 T CA 2.285 64.432 62.100 0.078 0.000 1.164 60 T CB -0.239 68.660 68.868 0.053 0.000 0.860 60 T HN 0.657 nan 8.240 nan 0.000 0.442 61 D N 0.396 120.892 120.400 0.160 0.000 2.354 61 D HA -0.115 4.524 4.640 -0.000 0.000 0.216 61 D C 1.579 177.897 176.300 0.030 0.000 0.970 61 D CA 0.909 54.959 54.000 0.084 0.000 0.905 61 D CB -0.223 40.593 40.800 0.027 0.000 0.903 61 D HN 0.260 nan 8.370 nan 0.000 0.508 62 K N 0.247 120.664 120.400 0.029 0.000 2.404 62 K HA 0.058 4.377 4.320 -0.000 0.000 0.194 62 K C 0.063 176.667 176.600 0.007 0.000 1.023 62 K CA -0.192 56.098 56.287 0.004 0.000 1.094 62 K CB 0.120 32.616 32.500 -0.006 0.000 0.841 62 K HN 0.034 nan 8.250 nan 0.000 0.523 63 D N 1.642 122.051 120.400 0.016 0.000 2.342 63 D HA 0.005 4.645 4.640 -0.000 0.000 0.260 63 D C -1.516 174.787 176.300 0.006 0.000 1.278 63 D CA -1.823 52.184 54.000 0.011 0.000 0.910 63 D CB 1.128 41.938 40.800 0.017 0.000 1.079 63 D HN 0.029 nan 8.370 nan 0.000 0.496 64 P HA -0.121 nan 4.420 nan 0.000 0.228 64 P C 0.531 177.831 177.300 -0.001 0.000 1.151 64 P CA 0.727 63.826 63.100 -0.003 0.000 0.770 64 P CB 0.363 32.060 31.700 -0.006 0.000 0.786 65 K N 0.507 120.907 120.400 0.001 0.000 2.726 65 K HA 0.172 4.492 4.320 -0.000 0.000 0.209 65 K C 0.222 176.825 176.600 0.005 0.000 1.082 65 K CA -0.269 56.019 56.287 0.002 0.000 1.081 65 K CB 0.434 32.934 32.500 0.000 0.000 0.830 65 K HN 0.088 nan 8.250 nan 0.000 0.470 66 S N -1.096 114.609 115.700 0.008 0.000 2.713 66 S HA 0.550 5.020 4.470 -0.000 0.000 0.283 66 S C -0.139 174.469 174.600 0.013 0.000 1.161 66 S CA -0.701 57.507 58.200 0.013 0.000 0.999 66 S CB 2.010 65.222 63.200 0.021 0.000 1.039 66 S HN -0.098 nan 8.310 nan 0.000 0.548 67 V N 1.701 121.624 119.914 0.015 0.000 2.419 67 V HA 0.486 4.605 4.120 -0.000 0.000 0.287 67 V C -0.743 175.364 176.094 0.020 0.000 1.017 67 V CA -0.675 61.634 62.300 0.015 0.000 0.844 67 V CB 1.032 32.862 31.823 0.011 0.000 1.011 67 V HN 0.837 nan 8.190 nan 0.000 0.429 68 R N 4.544 125.058 120.500 0.023 0.000 2.265 68 R HA 0.636 4.976 4.340 -0.000 0.000 0.328 68 R C -0.030 176.284 176.300 0.024 0.000 0.969 68 R CA -0.391 55.727 56.100 0.030 0.000 0.832 68 R CB 1.032 31.356 30.300 0.040 0.000 1.139 68 R HN 0.788 nan 8.270 nan 0.000 0.457 69 I N -0.799 119.785 120.570 0.024 0.000 3.621 69 I HA 0.438 4.607 4.170 -0.000 0.000 0.325 69 I C 0.572 176.702 176.117 0.021 0.000 1.554 69 I CA -0.764 60.547 61.300 0.019 0.000 1.053 69 I CB 0.936 38.944 38.000 0.015 0.000 1.302 69 I HN 0.445 nan 8.210 nan 0.000 0.518 70 G N 1.068 109.885 108.800 0.029 0.000 2.547 70 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 70 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 70 G C 0.483 175.401 174.900 0.029 0.000 1.211 70 G CA -0.171 44.947 45.100 0.031 0.000 0.950 70 G HN 0.344 nan 8.290 nan 0.000 0.504 71 E N -0.825 119.392 120.200 0.028 0.000 2.216 71 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 71 E C 1.320 177.937 176.600 0.029 0.000 0.988 71 E CA 0.515 56.930 56.400 0.024 0.000 0.834 71 E CB 0.128 29.841 29.700 0.021 0.000 0.772 71 E HN 0.426 nan 8.360 nan 0.000 0.479 72 R N 1.219 121.745 120.500 0.044 0.000 2.625 72 R HA 0.123 4.463 4.340 -0.000 0.000 0.286 72 R C -0.446 175.911 176.300 0.095 0.000 1.406 72 R CA -0.143 55.990 56.100 0.054 0.000 1.052 72 R CB 0.592 30.929 30.300 0.062 0.000 1.203 72 R HN 0.062 nan 8.270 nan 0.000 0.502 73 E N 3.393 123.632 120.200 0.065 0.000 2.558 73 E HA 0.156 4.506 4.350 -0.000 0.000 0.205 73 E C 0.077 176.653 176.600 -0.040 0.000 1.006 73 E CA 0.177 56.635 56.400 0.096 0.000 0.961 73 E CB 0.910 30.647 29.700 0.062 0.000 1.044 73 E HN 0.653 nan 8.360 nan 0.000 0.465 74 A N 1.810 124.543 122.820 -0.144 0.000 2.687 74 A HA -0.267 4.053 4.320 -0.000 0.000 0.299 74 A C -0.065 177.392 177.584 -0.212 0.000 1.497 74 A CA 0.978 52.823 52.037 -0.319 0.000 0.751 74 A CB -2.049 16.398 19.000 -0.922 0.000 1.048 74 A HN 0.422 nan 8.150 nan 0.000 0.464 75 R N 0.620 121.055 120.500 -0.109 0.000 2.298 75 R HA 0.469 4.809 4.340 -0.000 0.000 0.310 75 R C 0.686 176.942 176.300 -0.073 0.000 1.068 75 R CA 0.512 56.571 56.100 -0.068 0.000 0.957 75 R CB 0.707 30.995 30.300 -0.020 0.000 1.003 75 R HN 0.656 nan 8.270 nan 0.000 0.454 76 T N -1.112 113.403 114.554 -0.064 0.000 2.925 76 T HA 0.167 4.517 4.350 -0.000 0.000 0.285 76 T C 0.279 175.030 174.700 0.085 0.000 1.021 76 T CA -0.735 61.325 62.100 -0.066 0.000 1.042 76 T CB 1.259 70.091 68.868 -0.060 0.000 1.037 76 T HN 0.595 nan 8.240 nan 0.000 0.481 77 Y N 1.979 122.339 120.300 0.101 0.000 2.262 77 Y HA 0.325 4.875 4.550 -0.000 0.000 0.295 77 Y C 1.460 177.466 175.900 0.178 0.000 1.121 77 Y CA 0.848 59.039 58.100 0.151 0.000 1.144 77 Y CB 0.224 38.776 38.460 0.154 0.000 1.043 77 Y HN 0.765 nan 8.280 nan 0.000 0.528 78 S N -0.086 115.880 115.700 0.443 0.000 2.537 78 S HA 0.252 4.722 4.470 -0.000 0.000 0.301 78 S C 0.644 175.261 174.600 0.028 0.000 1.092 78 S CA -0.746 57.498 58.200 0.073 0.000 1.048 78 S CB 1.458 64.588 63.200 -0.117 0.000 1.053 78 S HN 0.333 nan 8.310 nan 0.000 0.501 79 K N 2.744 123.126 120.400 -0.029 0.000 2.103 79 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 79 K C 1.706 178.291 176.600 -0.025 0.000 1.048 79 K CA 1.514 57.788 56.287 -0.022 0.000 0.930 79 K CB -0.383 32.094 32.500 -0.037 0.000 0.716 79 K HN 0.665 nan 8.250 nan 0.000 0.444 80 I N 0.968 121.491 120.570 -0.079 0.000 2.248 80 I HA -0.338 3.832 4.170 -0.000 0.000 0.248 80 I C 2.307 178.394 176.117 -0.049 0.000 1.107 80 I CA 1.252 62.497 61.300 -0.092 0.000 1.373 80 I CB -0.459 37.448 38.000 -0.155 0.000 1.055 80 I HN 0.279 nan 8.210 nan 0.000 0.418 81 H N 0.939 120.015 119.070 0.010 0.000 2.352 81 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 81 H C 2.181 177.503 175.328 -0.010 0.000 1.097 81 H CA 1.389 57.442 56.048 0.008 0.000 1.311 81 H CB -0.279 29.492 29.762 0.015 0.000 1.377 81 H HN 0.443 nan 8.280 nan 0.000 0.504 82 E N 0.764 121.026 120.200 0.103 0.000 2.106 82 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 82 E C 2.074 178.672 176.600 -0.003 0.000 0.984 82 E CA 0.550 56.960 56.400 0.017 0.000 0.806 82 E CB -0.003 29.686 29.700 -0.020 0.000 0.750 82 E HN 0.645 nan 8.360 nan 0.000 0.458 83 E N 0.865 121.068 120.200 0.005 0.000 2.031 83 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 83 E C 2.360 178.972 176.600 0.021 0.000 0.994 83 E CA 0.776 57.176 56.400 0.000 0.000 0.800 83 E CB -0.141 29.556 29.700 -0.005 0.000 0.752 83 E HN 0.193 nan 8.360 nan 0.000 0.447 84 L N 1.050 122.295 121.223 0.038 0.000 2.083 84 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 84 L C 2.636 179.546 176.870 0.067 0.000 1.083 84 L CA 1.383 56.255 54.840 0.052 0.000 0.752 84 L CB -0.488 41.611 42.059 0.066 0.000 0.899 84 L HN 0.196 nan 8.230 nan 0.000 0.433 85 S N -2.294 113.450 115.700 0.073 0.000 2.528 85 S HA -0.036 4.434 4.470 -0.000 0.000 0.219 85 S C 1.296 175.972 174.600 0.127 0.000 0.985 85 S CA 0.422 58.681 58.200 0.099 0.000 0.914 85 S CB 0.343 63.591 63.200 0.080 0.000 0.776 85 S HN 0.359 nan 8.310 nan 0.000 0.526 86 S N -0.166 115.564 115.700 0.049 0.000 3.490 86 S HA -0.120 4.350 4.470 -0.000 0.000 0.301 86 S C 1.114 175.567 174.600 -0.245 0.000 1.233 86 S CA 1.128 59.331 58.200 0.005 0.000 0.914 86 S CB -1.785 61.512 63.200 0.161 0.000 1.047 86 S HN 2.354 nan 8.310 nan 0.000 0.602 87 G N -0.755 107.889 108.800 -0.261 0.000 2.157 87 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.239 87 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.239 87 G C -0.075 174.450 174.900 -0.624 0.000 0.982 87 G CA 0.117 44.952 45.100 -0.443 0.000 0.650 87 G HN 0.923 nan 8.290 nan 0.000 0.527 88 F N 1.100 121.052 119.950 0.003 0.000 2.434 88 F HA 0.364 4.891 4.527 -0.000 0.000 0.316 88 F C 1.916 177.717 175.800 0.000 0.000 1.222 88 F CA -0.650 57.357 58.000 0.011 0.000 1.207 88 F CB 0.025 39.026 39.000 0.001 0.000 1.466 88 F HN 0.110 nan 8.300 nan 0.000 0.545 89 C N -0.499 118.827 119.300 0.043 0.000 2.419 89 C HA -0.175 4.285 4.460 -0.000 0.000 0.281 89 C C 2.735 177.684 174.990 -0.067 0.000 1.336 89 C CA 0.831 59.823 59.018 -0.043 0.000 1.770 89 C CB -0.928 26.734 27.740 -0.131 0.000 1.929 89 C HN 0.668 nan 8.230 nan 0.000 0.509 90 H N 0.287 119.399 119.070 0.070 0.000 2.470 90 H HA 0.203 4.759 4.556 -0.000 0.000 0.289 90 H C 1.717 177.077 175.328 0.053 0.000 1.033 90 H CA 1.540 57.622 56.048 0.056 0.000 1.331 90 H CB -0.240 29.559 29.762 0.063 0.000 1.414 90 H HN 0.612 nan 8.280 nan 0.000 0.545 91 G N 0.790 109.701 108.800 0.183 0.000 2.508 91 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 91 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 91 G C -0.651 174.255 174.900 0.010 0.000 1.287 91 G CA -0.187 44.963 45.100 0.084 0.000 0.916 91 G HN 0.124 nan 8.290 nan 0.000 0.574 92 I N 2.486 123.005 120.570 -0.086 0.000 2.474 92 I HA 0.626 4.796 4.170 -0.000 0.000 0.294 92 I C 1.277 177.337 176.117 -0.096 0.000 1.005 92 I CA 1.068 62.257 61.300 -0.186 0.000 1.113 92 I CB 0.180 37.903 38.000 -0.462 0.000 1.289 92 I HN 2.431 nan 8.210 nan 0.000 0.436 93 G N 6.886 115.669 108.800 -0.028 0.000 2.806 93 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.236 93 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.236 93 G C -0.008 174.913 174.900 0.036 0.000 1.387 93 G CA -0.617 44.504 45.100 0.035 0.000 0.884 93 G HN 0.596 nan 8.290 nan 0.000 0.560 94 R N -0.575 119.952 120.500 0.044 0.000 2.606 94 R HA 0.614 4.954 4.340 -0.000 0.000 0.249 94 R C 0.778 177.112 176.300 0.056 0.000 1.127 94 R CA -0.113 56.010 56.100 0.039 0.000 1.133 94 R CB 1.017 31.333 30.300 0.027 0.000 1.243 94 R HN 0.765 nan 8.270 nan 0.000 0.558 95 S N -0.124 115.605 115.700 0.048 0.000 2.525 95 S HA 0.177 4.646 4.470 -0.000 0.000 0.285 95 S C 1.077 175.710 174.600 0.055 0.000 1.283 95 S CA 0.978 59.211 58.200 0.055 0.000 1.072 95 S CB -0.137 63.084 63.200 0.034 0.000 0.867 95 S HN 0.771 nan 8.310 nan 0.000 0.492 96 G N 3.814 112.663 108.800 0.081 0.000 2.180 96 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 96 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 96 G C 0.051 174.993 174.900 0.070 0.000 0.989 96 G CA 0.507 45.649 45.100 0.070 0.000 0.692 96 G HN 0.903 nan 8.290 nan 0.000 0.526 97 N N -0.583 118.163 118.700 0.078 0.000 2.685 97 N HA 0.386 5.126 4.740 -0.000 0.000 0.252 97 N C 1.081 176.636 175.510 0.075 0.000 1.261 97 N CA -0.649 52.436 53.050 0.058 0.000 0.768 97 N CB 0.642 39.149 38.487 0.033 0.000 1.304 97 N HN -0.049 nan 8.380 nan 0.000 0.536 98 L N 2.017 123.294 121.223 0.089 0.000 1.971 98 L HA -0.065 4.275 4.340 -0.000 0.000 0.215 98 L C 1.459 178.466 176.870 0.229 0.000 1.072 98 L CA 1.800 56.706 54.840 0.110 0.000 0.758 98 L CB -0.250 41.866 42.059 0.096 0.000 0.889 98 L HN 0.471 nan 8.230 nan 0.000 0.433 99 V N -0.596 119.427 119.914 0.182 0.000 3.490 99 V HA 0.049 4.169 4.120 -0.000 0.000 0.315 99 V C -0.061 176.066 176.094 0.055 0.000 1.284 99 V CA -0.026 62.341 62.300 0.112 0.000 1.233 99 V CB -0.838 30.945 31.823 -0.068 0.000 1.101 99 V HN 0.302 nan 8.190 nan 0.000 0.425 100 D N 2.431 122.873 120.400 0.070 0.000 2.392 100 D HA 0.266 4.906 4.640 -0.000 0.000 0.228 100 D C -2.436 173.892 176.300 0.046 0.000 1.074 100 D CA -2.373 51.649 54.000 0.038 0.000 0.838 100 D CB 1.762 42.577 40.800 0.024 0.000 1.067 100 D HN 0.097 nan 8.370 nan 0.000 0.511 101 P HA -0.102 nan 4.420 nan 0.000 0.259 101 P C -0.435 176.877 177.300 0.019 0.000 1.155 101 P CA 0.159 63.280 63.100 0.035 0.000 0.759 101 P CB 0.371 32.085 31.700 0.024 0.000 0.753 102 Q N 7.293 127.102 119.800 0.014 0.000 2.337 102 Q HA 0.163 4.503 4.340 -0.000 0.000 0.255 102 Q C -1.528 174.448 176.000 -0.041 0.000 0.997 102 Q CA -2.085 53.709 55.803 -0.015 0.000 0.925 102 Q CB 0.548 29.274 28.738 -0.020 0.000 1.212 102 Q HN 0.273 nan 8.270 nan 0.000 0.436 103 P HA -0.212 nan 4.420 nan 0.000 0.217 103 P C 0.007 177.255 177.300 -0.087 0.000 1.148 103 P CA 1.394 64.465 63.100 -0.049 0.000 0.828 103 P CB 0.404 32.080 31.700 -0.039 0.000 0.783 104 K N -1.217 119.082 120.400 -0.170 0.000 2.400 104 K HA 0.177 4.497 4.320 -0.000 0.000 0.194 104 K C 1.833 178.238 176.600 -0.325 0.000 1.033 104 K CA 0.443 56.552 56.287 -0.297 0.000 1.021 104 K CB 0.035 32.231 32.500 -0.507 0.000 0.808 104 K HN 0.074 nan 8.250 nan 0.000 0.505 105 A N -0.553 122.157 122.820 -0.183 0.000 2.984 105 A HA 0.304 4.624 4.320 -0.000 0.000 0.212 105 A C 1.255 178.863 177.584 0.040 0.000 2.164 105 A CA 0.806 52.834 52.037 -0.014 0.000 0.982 105 A CB -0.157 18.873 19.000 0.050 0.000 1.352 105 A HN 0.072 nan 8.150 nan 0.000 0.491 106 S N -3.164 112.568 115.700 0.054 0.000 1.289 106 S HA -0.185 4.285 4.470 -0.000 0.000 0.253 106 S C 1.664 176.324 174.600 0.100 0.000 0.595 106 S CA 1.724 59.959 58.200 0.058 0.000 1.069 106 S CB -1.980 61.245 63.200 0.042 0.000 0.855 106 S HN 1.630 nan 8.310 nan 0.000 0.490 107 G N 1.042 109.933 108.800 0.151 0.000 2.422 107 G HA2 0.146 4.106 3.960 -0.000 0.000 0.218 107 G HA3 0.146 4.106 3.960 -0.000 0.000 0.218 107 G C 1.537 176.609 174.900 0.287 0.000 1.146 107 G CA 1.476 46.715 45.100 0.232 0.000 0.769 107 G HN 1.154 nan 8.290 nan 0.000 0.547 108 A N 0.612 123.596 122.820 0.274 0.000 1.968 108 A HA 0.122 4.442 4.320 -0.000 0.000 0.217 108 A C 2.669 180.201 177.584 -0.087 0.000 1.169 108 A CA 2.018 54.016 52.037 -0.066 0.000 0.638 108 A CB -0.341 18.720 19.000 0.103 0.000 0.812 108 A HN 0.297 nan 8.150 nan 0.000 0.446 109 S N -0.126 115.595 115.700 0.036 0.000 2.371 109 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 109 S C 1.108 175.753 174.600 0.075 0.000 1.029 109 S CA 0.348 58.586 58.200 0.064 0.000 0.978 109 S CB -0.309 62.925 63.200 0.058 0.000 0.833 109 S HN 0.440 nan 8.310 nan 0.000 0.466 113 A N 1.545 124.374 122.820 0.015 0.000 1.902 113 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 113 A C 2.027 179.605 177.584 -0.011 0.000 1.181 113 A CA 1.990 53.986 52.037 -0.068 0.000 0.623 113 A CB -0.899 18.098 19.000 -0.004 0.000 0.818 113 A HN 0.461 nan 8.150 nan 0.000 0.443 114 L N -0.901 120.363 121.223 0.067 0.000 2.046 114 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 114 L C 2.822 179.728 176.870 0.060 0.000 1.077 114 L CA 1.832 56.728 54.840 0.093 0.000 0.747 114 L CB -1.019 41.148 42.059 0.181 0.000 0.896 114 L HN 0.359 nan 8.230 nan 0.000 0.432 115 T N -0.220 114.377 114.554 0.071 0.000 2.665 115 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 115 T C 1.693 176.403 174.700 0.016 0.000 1.035 115 T CA 1.585 63.720 62.100 0.059 0.000 1.151 115 T CB -0.261 68.682 68.868 0.126 0.000 0.862 115 T HN 0.320 nan 8.240 nan 0.000 0.438 116 N N 0.931 119.603 118.700 -0.046 0.000 2.188 116 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 116 N C 1.848 177.360 175.510 0.003 0.000 1.018 116 N CA 0.961 53.974 53.050 -0.060 0.000 0.858 116 N CB -0.133 38.234 38.487 -0.200 0.000 0.989 116 N HN 0.458 nan 8.380 nan 0.000 0.426 117 K N 0.580 120.984 120.400 0.006 0.000 2.103 117 K HA 0.109 4.429 4.320 -0.000 0.000 0.204 117 K C 1.994 178.622 176.600 0.046 0.000 1.052 117 K CA 0.587 56.894 56.287 0.033 0.000 0.945 117 K CB 0.017 32.539 32.500 0.035 0.000 0.722 117 K HN 0.139 nan 8.250 nan 0.000 0.443 118 I N 0.983 121.572 120.570 0.031 0.000 2.493 118 I HA -0.219 3.951 4.170 -0.000 0.000 0.254 118 I C 2.162 178.305 176.117 0.042 0.000 1.160 118 I CA 0.444 61.756 61.300 0.020 0.000 1.445 118 I CB -0.065 37.922 38.000 -0.021 0.000 1.086 118 I HN 0.100 nan 8.210 nan 0.000 0.433 119 L N 0.920 122.176 121.223 0.056 0.000 2.044 119 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 119 L C 2.344 179.392 176.870 0.296 0.000 1.075 119 L CA 1.876 56.782 54.840 0.108 0.000 0.747 119 L CB -0.474 41.661 42.059 0.126 0.000 0.903 119 L HN 0.134 nan 8.230 nan 0.000 0.435 120 E N -1.041 119.298 120.200 0.232 0.000 2.077 120 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 120 E C 2.257 178.966 176.600 0.182 0.000 0.989 120 E CA 1.381 57.914 56.400 0.222 0.000 0.800 120 E CB -0.263 29.495 29.700 0.095 0.000 0.746 120 E HN 0.560 nan 8.360 nan 0.000 0.452 121 S N 0.393 116.165 115.700 0.121 0.000 2.359 121 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 121 S C 1.837 176.479 174.600 0.070 0.000 1.035 121 S CA 1.311 59.555 58.200 0.074 0.000 1.018 121 S CB -0.387 62.846 63.200 0.055 0.000 0.876 121 S HN 0.384 nan 8.310 nan 0.000 0.448 122 F N 1.063 120.964 119.950 -0.083 0.000 2.095 122 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 122 F C 1.695 177.365 175.800 -0.217 0.000 1.104 122 F CA 1.782 59.659 58.000 -0.205 0.000 1.232 122 F CB -0.737 38.060 39.000 -0.340 0.000 0.987 122 F HN 0.297 nan 8.300 nan 0.000 0.475 123 F N 0.880 120.761 119.950 -0.116 0.000 2.102 123 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 123 F C 2.622 178.291 175.800 -0.218 0.000 1.105 123 F CA 1.996 59.856 58.000 -0.233 0.000 1.239 123 F CB -0.687 38.243 39.000 -0.116 0.000 0.991 123 F HN -0.084 nan 8.300 nan 0.000 0.474 124 K N 0.094 120.521 120.400 0.045 0.000 2.020 124 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 124 K C 2.143 178.701 176.600 -0.071 0.000 1.050 124 K CA 1.742 58.022 56.287 -0.012 0.000 0.929 124 K CB -0.169 32.325 32.500 -0.011 0.000 0.714 124 K HN 0.159 nan 8.250 nan 0.000 0.443 125 Q N 0.424 120.146 119.800 -0.131 0.000 2.173 125 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 125 Q C 2.186 178.082 176.000 -0.174 0.000 0.989 125 Q CA 1.473 57.183 55.803 -0.155 0.000 0.872 125 Q CB -0.265 28.349 28.738 -0.205 0.000 0.909 125 Q HN 0.455 nan 8.270 nan 0.000 0.420 126 L N -1.128 119.938 121.223 -0.262 0.000 2.478 126 L HA 0.029 4.369 4.340 -0.000 0.000 0.223 126 L C 1.156 177.994 176.870 -0.054 0.000 1.140 126 L CA 0.694 55.420 54.840 -0.191 0.000 0.842 126 L CB -0.072 41.802 42.059 -0.308 0.000 0.953 126 L HN 0.440 nan 8.230 nan 0.000 0.452 127 G N 0.160 108.943 108.800 -0.029 0.000 2.148 127 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.157 127 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.157 127 G C -0.178 174.756 174.900 0.055 0.000 1.012 127 G CA -0.618 44.490 45.100 0.015 0.000 0.677 127 G HN 0.141 nan 8.290 nan 0.000 0.506 128 L N 1.329 122.597 121.223 0.075 0.000 2.372 128 L HA 0.439 4.778 4.340 -0.000 0.000 0.273 128 L C -0.578 176.284 176.870 -0.013 0.000 0.989 128 L CA -0.996 53.897 54.840 0.088 0.000 0.841 128 L CB 1.540 43.730 42.059 0.219 0.000 1.225 128 L HN 0.003 nan 8.230 nan 0.000 0.414 129 N N 4.341 122.989 118.700 -0.086 0.000 2.508 129 N HA 0.264 5.004 4.740 -0.000 0.000 0.253 129 N C -0.389 174.936 175.510 -0.308 0.000 1.145 129 N CA 0.087 53.042 53.050 -0.158 0.000 0.973 129 N CB 1.486 39.891 38.487 -0.137 0.000 1.305 129 N HN 0.391 nan 8.380 nan 0.000 0.506 130 V N -0.625 119.084 119.914 -0.343 0.000 3.141 130 V HA 0.521 4.641 4.120 -0.000 0.000 0.312 130 V C -0.475 175.353 176.094 -0.443 0.000 1.157 130 V CA -0.961 61.056 62.300 -0.471 0.000 1.041 130 V CB 2.564 34.108 31.823 -0.466 0.000 1.071 130 V HN 0.418 nan 8.190 nan 0.000 0.441 131 H N 1.246 120.214 119.070 -0.169 0.000 2.488 131 H HA 0.855 5.411 4.556 -0.000 0.000 0.322 131 H C 0.044 175.319 175.328 -0.087 0.000 1.078 131 H CA 0.404 56.394 56.048 -0.097 0.000 1.260 131 H CB 1.696 31.420 29.762 -0.063 0.000 1.425 131 H HN 1.163 nan 8.280 nan 0.000 0.471 132 A N 3.336 126.187 122.820 0.052 0.000 2.454 132 A HA 0.660 4.980 4.320 -0.000 0.000 0.302 132 A C -1.038 176.584 177.584 0.062 0.000 1.079 132 A CA -0.589 51.478 52.037 0.049 0.000 0.731 132 A CB 1.591 20.596 19.000 0.008 0.000 1.299 132 A HN 0.498 nan 8.150 nan 0.000 0.413 133 I N 0.686 121.311 120.570 0.091 0.000 2.534 133 I HA 0.569 4.739 4.170 -0.000 0.000 0.288 133 I C 0.238 176.434 176.117 0.131 0.000 1.077 133 I CA 0.025 61.357 61.300 0.052 0.000 1.051 133 I CB 1.938 39.959 38.000 0.034 0.000 1.234 133 I HN 0.824 nan 8.210 nan 0.000 0.425 134 A N 4.488 127.405 122.820 0.162 0.000 2.320 134 A HA 0.656 4.976 4.320 -0.000 0.000 0.287 134 A C 0.142 177.852 177.584 0.211 0.000 1.181 134 A CA -0.185 51.967 52.037 0.192 0.000 0.831 134 A CB -0.083 19.032 19.000 0.192 0.000 1.102 134 A HN 0.693 nan 8.150 nan 0.000 0.513 135 T N 0.672 115.298 114.554 0.120 0.000 2.902 135 T HA 0.627 4.977 4.350 -0.000 0.000 0.283 135 T C -2.217 172.468 174.700 -0.024 0.000 1.009 135 T CA -1.875 60.252 62.100 0.046 0.000 1.051 135 T CB 1.736 70.634 68.868 0.049 0.000 0.999 135 T HN 0.401 nan 8.240 nan 0.000 0.474 136 P HA 0.268 nan 4.420 nan 0.000 0.255 136 P C -0.117 177.138 177.300 -0.076 0.000 1.427 136 P CA -0.179 62.837 63.100 -0.140 0.000 0.863 136 P CB -0.527 31.021 31.700 -0.253 0.000 1.444 137 I N -4.139 116.419 120.570 -0.019 0.000 3.174 137 I HA 0.512 4.682 4.170 -0.000 0.000 0.313 137 I C 0.304 176.463 176.117 0.070 0.000 1.155 137 I CA -1.555 59.776 61.300 0.051 0.000 0.977 137 I CB 1.784 39.855 38.000 0.118 0.000 1.248 137 I HN -0.257 nan 8.210 nan 0.000 0.453 138 S N 0.276 116.027 115.700 0.085 0.000 2.580 138 S HA -0.035 4.435 4.470 -0.000 0.000 0.261 138 S C 1.282 175.939 174.600 0.094 0.000 1.366 138 S CA 0.406 58.658 58.200 0.086 0.000 0.996 138 S CB 0.728 63.980 63.200 0.086 0.000 0.902 138 S HN 0.987 nan 8.310 nan 0.000 0.566 139 T N -0.311 114.297 114.554 0.091 0.000 2.904 139 T HA 0.162 4.512 4.350 -0.000 0.000 0.267 139 T C 1.125 175.877 174.700 0.087 0.000 1.059 139 T CA 0.818 62.972 62.100 0.089 0.000 1.137 139 T CB -1.287 67.627 68.868 0.077 0.000 0.879 139 T HN 0.976 nan 8.240 nan 0.000 0.467 143 I N 1.957 122.597 120.570 0.116 0.000 2.439 143 I HA -0.075 4.095 4.170 -0.000 0.000 0.251 143 I C 2.080 178.267 176.117 0.118 0.000 1.139 143 I CA 1.079 62.446 61.300 0.111 0.000 1.438 143 I CB -0.150 37.910 38.000 0.101 0.000 1.085 143 I HN 0.206 nan 8.210 nan 0.000 0.427 144 S N 0.824 116.605 115.700 0.135 0.000 2.382 144 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 144 S C 1.902 176.554 174.600 0.087 0.000 1.027 144 S CA 1.107 59.383 58.200 0.127 0.000 0.991 144 S CB -0.221 63.104 63.200 0.209 0.000 0.823 144 S HN 0.195 nan 8.310 nan 0.000 0.469 145 L N 1.315 122.600 121.223 0.102 0.000 1.989 145 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 145 L C 2.588 179.478 176.870 0.034 0.000 1.071 145 L CA 1.508 56.391 54.840 0.070 0.000 0.749 145 L CB -1.234 40.882 42.059 0.095 0.000 0.890 145 L HN 0.365 nan 8.230 nan 0.000 0.431 146 C N -1.035 118.310 119.300 0.075 0.000 2.413 146 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 146 C C 2.777 177.881 174.990 0.190 0.000 1.248 146 C CA 0.494 59.592 59.018 0.134 0.000 1.742 146 C CB -0.995 26.875 27.740 0.215 0.000 2.017 146 C HN 0.467 nan 8.230 nan 0.000 0.481 147 L N 0.451 121.761 121.223 0.145 0.000 1.989 147 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 147 L C 2.784 179.716 176.870 0.104 0.000 1.071 147 L CA 1.956 56.878 54.840 0.137 0.000 0.749 147 L CB -0.944 41.172 42.059 0.095 0.000 0.890 147 L HN 0.330 nan 8.230 nan 0.000 0.431 148 S N -0.510 115.217 115.700 0.044 0.000 2.400 148 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 148 S C 2.026 176.620 174.600 -0.011 0.000 1.025 148 S CA 1.289 59.489 58.200 -0.000 0.000 0.993 148 S CB -0.123 63.053 63.200 -0.039 0.000 0.808 148 S HN 0.452 nan 8.310 nan 0.000 0.478 149 A N 0.773 123.571 122.820 -0.037 0.000 1.968 149 A HA 0.330 4.650 4.320 -0.000 0.000 0.217 149 A C 2.372 179.978 177.584 0.036 0.000 1.169 149 A CA 1.504 53.448 52.037 -0.156 0.000 0.638 149 A CB -1.074 17.606 19.000 -0.534 0.000 0.812 149 A HN 0.700 nan 8.150 nan 0.000 0.446 150 A N -0.623 122.360 122.820 0.272 0.000 2.015 150 A HA -0.085 4.234 4.320 -0.000 0.000 0.219 150 A C 2.233 179.953 177.584 0.226 0.000 1.163 150 A CA 1.329 53.617 52.037 0.418 0.000 0.646 150 A CB -0.420 18.819 19.000 0.399 0.000 0.806 150 A HN 0.477 nan 8.150 nan 0.000 0.448 151 R N 0.429 121.001 120.500 0.121 0.000 2.062 151 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 151 R C 2.135 178.453 176.300 0.030 0.000 1.128 151 R CA 1.726 57.868 56.100 0.071 0.000 0.960 151 R CB -0.207 30.113 30.300 0.033 0.000 0.855 151 R HN 0.699 nan 8.270 nan 0.000 0.432 152 K N -0.238 120.155 120.400 -0.012 0.000 2.296 152 K HA -0.083 4.237 4.320 -0.000 0.000 0.200 152 K C 1.792 178.338 176.600 -0.090 0.000 1.048 152 K CA 0.961 57.221 56.287 -0.045 0.000 0.966 152 K CB 0.120 32.584 32.500 -0.060 0.000 0.754 152 K HN -0.098 nan 8.250 nan 0.000 0.466 153 K N 0.914 121.222 120.400 -0.154 0.000 2.099 153 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 153 K C 0.699 177.029 176.600 -0.451 0.000 1.047 153 K CA 1.073 57.128 56.287 -0.386 0.000 0.963 153 K CB 0.017 32.155 32.500 -0.604 0.000 0.759 153 K HN 0.292 nan 8.250 nan 0.000 0.451 154 Y N -0.927 119.436 120.300 0.105 0.000 2.557 154 Y HA 0.311 4.861 4.550 -0.000 0.000 0.247 154 Y C 0.915 176.849 175.900 0.058 0.000 1.164 154 Y CA -0.279 57.867 58.100 0.077 0.000 1.218 154 Y CB 1.147 39.653 38.460 0.077 0.000 1.210 154 Y HN 0.236 nan 8.280 nan 0.000 0.529 155 G N 0.936 109.821 108.800 0.141 0.000 2.179 155 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.257 155 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.257 155 G C 0.038 175.000 174.900 0.103 0.000 1.010 155 G CA 0.402 45.560 45.100 0.098 0.000 0.736 155 G HN 0.275 nan 8.290 nan 0.000 0.513 156 S N 0.446 116.228 115.700 0.136 0.000 2.560 156 S HA 0.346 4.816 4.470 -0.000 0.000 0.284 156 S C 1.236 175.881 174.600 0.075 0.000 1.327 156 S CA 0.432 58.699 58.200 0.111 0.000 1.055 156 S CB 0.647 63.930 63.200 0.138 0.000 0.868 156 S HN 0.806 nan 8.310 nan 0.000 0.506 157 N N -0.025 118.710 118.700 0.057 0.000 2.167 157 N HA 0.166 4.906 4.740 -0.000 0.000 0.234 157 N C -0.754 174.777 175.510 0.034 0.000 1.312 157 N CA -0.102 52.972 53.050 0.040 0.000 0.861 157 N CB 0.718 39.224 38.487 0.032 0.000 1.217 157 N HN 0.382 nan 8.380 nan 0.000 0.504 158 V N 0.775 120.712 119.914 0.039 0.000 2.932 158 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 158 V C -1.615 174.504 176.094 0.042 0.000 1.147 158 V CA -0.537 61.783 62.300 0.033 0.000 0.951 158 V CB 2.454 34.292 31.823 0.025 0.000 1.031 158 V HN -0.074 nan 8.190 nan 0.000 0.426 159 V N 7.335 127.276 119.914 0.045 0.000 2.357 159 V HA 0.512 4.632 4.120 -0.000 0.000 0.284 159 V C -0.128 176.015 176.094 0.083 0.000 1.018 159 V CA -0.648 61.691 62.300 0.065 0.000 0.841 159 V CB 1.510 33.371 31.823 0.063 0.000 0.991 159 V HN 0.669 nan 8.190 nan 0.000 0.437 160 I N 5.331 125.946 120.570 0.076 0.000 2.396 160 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 160 I C -0.522 175.687 176.117 0.153 0.000 1.056 160 I CA -0.187 61.156 61.300 0.070 0.000 1.365 160 I CB 0.257 38.255 38.000 -0.003 0.000 1.407 160 I HN 0.657 nan 8.210 nan 0.000 0.509 161 Y N 8.808 129.113 120.300 0.009 0.000 2.526 161 Y HA 0.477 5.027 4.550 -0.000 0.000 0.328 161 Y C -2.468 173.449 175.900 0.028 0.000 0.995 161 Y CA -2.771 55.342 58.100 0.022 0.000 1.304 161 Y CB 1.518 40.006 38.460 0.046 0.000 1.096 161 Y HN 0.427 nan 8.280 nan 0.000 0.499 162 P HA -0.086 nan 4.420 nan 0.000 0.262 162 P C -0.908 176.134 177.300 -0.430 0.000 1.199 162 P CA 0.435 63.391 63.100 -0.240 0.000 0.763 162 P CB -0.032 31.539 31.700 -0.214 0.000 0.790 163 Y N 3.973 124.076 120.300 -0.328 0.000 2.887 163 Y HA 0.109 4.659 4.550 -0.000 0.000 0.350 163 Y C 0.299 175.922 175.900 -0.462 0.000 1.294 163 Y CA 0.112 58.032 58.100 -0.299 0.000 1.622 163 Y CB -0.443 37.943 38.460 -0.125 0.000 1.201 163 Y HN 0.422 nan 8.280 nan 0.000 0.546 164 A N 4.838 127.083 122.820 -0.959 0.000 2.745 164 A HA 0.403 4.723 4.320 -0.000 0.000 0.301 164 A C -0.183 176.890 177.584 -0.853 0.000 1.188 164 A CA -0.232 51.120 52.037 -1.143 0.000 0.746 164 A CB -0.176 18.278 19.000 -0.910 0.000 1.207 164 A HN 0.877 nan 8.150 nan 0.000 0.432 165 S N 2.427 117.465 115.700 -1.104 0.000 2.962 165 S HA 0.256 4.726 4.470 -0.000 0.000 0.320 165 S C -0.084 174.328 174.600 -0.314 0.000 1.186 165 S CA 0.136 57.805 58.200 -0.886 0.000 1.180 165 S CB -0.546 61.842 63.200 -1.352 0.000 1.491 165 S HN 0.725 nan 8.310 nan 0.000 0.556 166 H N 2.719 121.823 119.070 0.056 0.000 3.096 166 H HA 0.268 4.824 4.556 -0.000 0.000 0.335 166 H C 0.308 175.848 175.328 0.353 0.000 0.990 166 H CA -0.728 55.501 56.048 0.302 0.000 1.393 166 H CB 1.235 31.249 29.762 0.421 0.000 1.742 166 H HN 0.385 nan 8.280 nan 0.000 0.501 167 K N 2.023 122.666 120.400 0.406 0.000 2.032 167 K HA -0.201 4.119 4.320 -0.000 0.000 0.218 167 K C 1.778 178.575 176.600 0.327 0.000 1.054 167 K CA 1.651 58.134 56.287 0.326 0.000 0.941 167 K CB -0.578 32.017 32.500 0.158 0.000 0.720 167 K HN 0.437 nan 8.250 nan 0.000 0.449 168 S N 1.086 117.062 115.700 0.460 0.000 2.359 168 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 168 S C -0.764 173.946 174.600 0.183 0.000 1.038 168 S CA 1.915 60.282 58.200 0.279 0.000 1.051 168 S CB -0.884 62.469 63.200 0.255 0.000 0.944 168 S HN 0.148 nan 8.310 nan 0.000 0.433 169 P HA -0.002 nan 4.420 nan 0.000 0.219 169 P C 1.510 178.822 177.300 0.019 0.000 1.150 169 P CA 0.969 64.137 63.100 0.113 0.000 0.814 169 P CB -0.208 31.590 31.700 0.163 0.000 0.787 170 I N 0.273 120.871 120.570 0.048 0.000 2.202 170 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 170 I C 2.798 178.909 176.117 -0.010 0.000 1.091 170 I CA 1.544 62.804 61.300 -0.066 0.000 1.368 170 I CB -0.508 37.541 38.000 0.081 0.000 1.058 170 I HN -0.058 nan 8.210 nan 0.000 0.410 171 K N 1.304 121.739 120.400 0.059 0.000 2.057 171 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 171 K C 2.204 178.855 176.600 0.086 0.000 1.049 171 K CA 1.326 57.647 56.287 0.056 0.000 0.931 171 K CB -0.138 32.386 32.500 0.040 0.000 0.714 171 K HN 0.273 nan 8.250 nan 0.000 0.440 172 A N 0.477 123.352 122.820 0.092 0.000 1.997 172 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 172 A C 2.164 179.822 177.584 0.123 0.000 1.172 172 A CA 1.918 54.038 52.037 0.138 0.000 0.645 172 A CB -0.636 18.430 19.000 0.111 0.000 0.813 172 A HN 0.193 nan 8.150 nan 0.000 0.454 173 V N -1.197 118.742 119.914 0.041 0.000 2.346 173 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 173 V C 2.723 178.846 176.094 0.049 0.000 1.037 173 V CA 2.073 64.380 62.300 0.012 0.000 1.029 173 V CB -0.598 31.173 31.823 -0.087 0.000 0.663 173 V HN 0.633 nan 8.190 nan 0.000 0.454 174 S N -0.732 115.004 115.700 0.061 0.000 2.382 174 S HA -0.208 4.262 4.470 -0.000 0.000 0.228 174 S C 1.931 176.630 174.600 0.164 0.000 1.027 174 S CA 1.780 60.031 58.200 0.084 0.000 0.991 174 S CB -0.454 62.787 63.200 0.070 0.000 0.823 174 S HN 0.581 nan 8.310 nan 0.000 0.469 175 F N 2.105 122.057 119.950 0.003 0.000 2.069 175 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 175 F C 1.902 177.705 175.800 0.004 0.000 1.113 175 F CA 1.478 59.481 58.000 0.006 0.000 1.214 175 F CB -0.084 38.924 39.000 0.014 0.000 0.978 175 F HN 0.197 nan 8.300 nan 0.000 0.474 176 V N -0.454 119.441 119.914 -0.033 0.000 3.592 176 V HA 0.299 4.419 4.120 -0.000 0.000 0.272 176 V C 0.946 176.996 176.094 -0.073 0.000 1.228 176 V CA 0.214 62.425 62.300 -0.148 0.000 1.173 176 V CB -1.587 30.194 31.823 -0.071 0.000 0.873 176 V HN 0.607 nan 8.190 nan 0.000 0.476 182 L N 3.883 125.154 121.223 0.081 0.000 2.453 182 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 182 L C -0.591 176.301 176.870 0.038 0.000 1.182 182 L CA -0.222 54.684 54.840 0.110 0.000 0.858 182 L CB 0.778 42.880 42.059 0.071 0.000 1.120 182 L HN 0.458 nan 8.230 nan 0.000 0.474 183 V N 5.055 124.993 119.914 0.040 0.000 2.305 183 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 183 V C -0.007 176.077 176.094 -0.016 0.000 1.020 183 V CA -0.816 61.477 62.300 -0.012 0.000 0.811 183 V CB 0.970 32.778 31.823 -0.025 0.000 1.031 183 V HN 0.785 nan 8.190 nan 0.000 0.439 184 E N 2.166 122.329 120.200 -0.061 0.000 2.458 184 E HA 0.163 4.513 4.350 -0.000 0.000 0.264 184 E C 0.616 177.202 176.600 -0.023 0.000 1.097 184 E CA 0.169 56.518 56.400 -0.085 0.000 0.973 184 E CB 0.477 30.080 29.700 -0.161 0.000 0.963 184 E HN 0.768 nan 8.360 nan 0.000 0.451 185 T N -1.875 112.711 114.554 0.053 0.000 2.902 185 T HA 0.479 4.829 4.350 -0.000 0.000 0.280 185 T C -0.060 174.702 174.700 0.104 0.000 0.992 185 T CA -0.973 61.171 62.100 0.074 0.000 1.015 185 T CB 1.106 70.103 68.868 0.214 0.000 1.044 185 T HN 0.159 nan 8.240 nan 0.000 0.520 186 V N 1.710 121.572 119.914 -0.088 0.000 2.680 186 V HA 0.475 4.595 4.120 -0.000 0.000 0.309 186 V C -0.123 175.889 176.094 -0.136 0.000 1.052 186 V CA -1.138 61.117 62.300 -0.074 0.000 0.908 186 V CB 1.787 33.405 31.823 -0.341 0.000 1.001 186 V HN 0.946 nan 8.190 nan 0.000 0.431 187 L N 3.179 124.336 121.223 -0.110 0.000 2.350 187 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 187 L C -0.495 176.352 176.870 -0.038 0.000 1.099 187 L CA 0.077 54.765 54.840 -0.254 0.000 0.808 187 L CB 1.113 42.874 42.059 -0.497 0.000 1.149 187 L HN 0.742 nan 8.230 nan 0.000 0.442 188 D N 3.568 123.995 120.400 0.044 0.000 2.552 188 D HA 0.360 5.000 4.640 -0.000 0.000 0.285 188 D C 0.513 176.845 176.300 0.054 0.000 1.206 188 D CA 0.594 54.659 54.000 0.108 0.000 0.826 188 D CB 0.646 41.605 40.800 0.265 0.000 1.179 188 D HN 0.830 nan 8.370 nan 0.000 0.508 189 G N 3.169 111.965 108.800 -0.006 0.000 3.274 189 G HA2 -0.403 3.556 3.960 -0.000 0.000 0.313 189 G HA3 -0.403 3.556 3.960 -0.000 0.000 0.313 189 G C 0.887 175.758 174.900 -0.048 0.000 1.295 189 G CA 0.605 45.684 45.100 -0.035 0.000 1.004 189 G HN 0.476 nan 8.290 nan 0.000 0.614 190 D N 1.267 121.682 120.400 0.025 0.000 2.366 190 D HA 0.251 4.891 4.640 -0.000 0.000 0.205 190 D C 1.544 177.946 176.300 0.170 0.000 1.022 190 D CA 0.292 54.343 54.000 0.086 0.000 0.868 190 D CB 0.229 41.066 40.800 0.063 0.000 0.953 190 D HN 0.458 nan 8.370 nan 0.000 0.514 191 R N -0.221 120.358 120.500 0.131 0.000 2.643 191 R HA 0.671 5.011 4.340 -0.000 0.000 0.272 191 R C -0.961 175.449 176.300 0.183 0.000 0.995 191 R CA -0.797 55.391 56.100 0.148 0.000 1.032 191 R CB 2.534 32.902 30.300 0.113 0.000 1.126 191 R HN -0.206 nan 8.270 nan 0.000 0.505 192 V N 2.744 122.766 119.914 0.180 0.000 2.638 192 V HA 0.508 4.628 4.120 -0.000 0.000 0.306 192 V C -1.339 174.905 176.094 0.249 0.000 1.052 192 V CA -0.519 61.868 62.300 0.145 0.000 0.885 192 V CB 1.559 33.420 31.823 0.063 0.000 0.999 192 V HN 0.831 nan 8.190 nan 0.000 0.424 193 Y N 2.746 123.078 120.300 0.054 0.000 2.764 193 Y HA 0.844 5.394 4.550 -0.000 0.000 0.331 193 Y C -1.528 174.396 175.900 0.041 0.000 1.280 193 Y CA -1.344 56.778 58.100 0.037 0.000 1.065 193 Y CB 1.765 40.242 38.460 0.027 0.000 1.319 193 Y HN 0.182 nan 8.280 nan 0.000 0.453 194 V N 2.553 122.518 119.914 0.084 0.000 2.334 194 V HA 0.420 4.540 4.120 -0.000 0.000 0.281 194 V C -2.471 173.680 176.094 0.095 0.000 1.016 194 V CA -2.060 60.222 62.300 -0.030 0.000 0.832 194 V CB 1.058 32.867 31.823 -0.023 0.000 0.999 194 V HN 0.572 nan 8.190 nan 0.000 0.439 195 P HA 0.032 nan 4.420 nan 0.000 0.260 195 P C 1.072 178.413 177.300 0.068 0.000 1.185 195 P CA 0.287 63.466 63.100 0.132 0.000 0.763 195 P CB 0.799 32.515 31.700 0.027 0.000 0.776 196 V N 3.676 123.635 119.914 0.075 0.000 2.490 196 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 196 V C 2.193 178.276 176.094 -0.019 0.000 1.061 196 V CA 1.994 64.296 62.300 0.003 0.000 1.064 196 V CB -0.990 30.824 31.823 -0.016 0.000 0.670 196 V HN 0.652 nan 8.190 nan 0.000 0.461 197 E N 0.031 120.233 120.200 0.003 0.000 2.209 197 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 197 E C 1.647 178.234 176.600 -0.022 0.000 0.993 197 E CA 1.517 57.913 56.400 -0.007 0.000 0.819 197 E CB -0.020 29.686 29.700 0.010 0.000 0.745 197 E HN 0.629 nan 8.360 nan 0.000 0.477 198 D N -0.057 120.329 120.400 -0.023 0.000 2.249 198 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 198 D C 1.949 178.216 176.300 -0.055 0.000 0.962 198 D CA 0.549 54.527 54.000 -0.036 0.000 0.860 198 D CB 0.030 40.808 40.800 -0.037 0.000 0.955 198 D HN 0.339 nan 8.370 nan 0.000 0.505 199 I N 1.034 121.565 120.570 -0.066 0.000 2.202 199 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 199 I C 2.515 178.550 176.117 -0.135 0.000 1.091 199 I CA 0.947 62.190 61.300 -0.094 0.000 1.368 199 I CB -0.190 37.746 38.000 -0.107 0.000 1.058 199 I HN -0.042 nan 8.210 nan 0.000 0.410 200 E N 1.322 121.435 120.200 -0.144 0.000 2.118 200 E HA -0.287 4.062 4.350 -0.000 0.000 0.195 200 E C 1.887 178.390 176.600 -0.161 0.000 0.992 200 E CA 1.689 57.964 56.400 -0.207 0.000 0.804 200 E CB -0.023 29.598 29.700 -0.131 0.000 0.741 200 E HN 0.365 nan 8.360 nan 0.000 0.458 201 N N 0.064 118.712 118.700 -0.087 0.000 2.069 201 N HA -0.176 4.563 4.740 -0.000 0.000 0.191 201 N C 1.637 177.110 175.510 -0.063 0.000 1.031 201 N CA 1.848 54.865 53.050 -0.054 0.000 0.852 201 N CB -0.271 38.194 38.487 -0.035 0.000 1.018 201 N HN 0.270 nan 8.380 nan 0.000 0.423 202 A N 0.287 123.064 122.820 -0.071 0.000 1.972 202 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 202 A C 2.202 179.737 177.584 -0.082 0.000 1.169 202 A CA 0.961 52.961 52.037 -0.061 0.000 0.635 202 A CB -0.668 18.301 19.000 -0.052 0.000 0.810 202 A HN 0.348 nan 8.150 nan 0.000 0.446 203 I N -0.580 119.902 120.570 -0.146 0.000 2.163 203 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 203 I C 2.445 178.480 176.117 -0.137 0.000 1.081 203 I CA 1.625 62.800 61.300 -0.209 0.000 1.353 203 I CB -0.360 37.365 38.000 -0.457 0.000 1.054 203 I HN 0.315 nan 8.210 nan 0.000 0.407 204 K N 0.722 121.061 120.400 -0.101 0.000 2.103 204 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 204 K C 2.154 178.764 176.600 0.016 0.000 1.048 204 K CA 1.331 57.632 56.287 0.024 0.000 0.930 204 K CB -0.174 32.362 32.500 0.059 0.000 0.716 204 K HN 0.234 nan 8.250 nan 0.000 0.444 205 K N 1.258 121.653 120.400 -0.009 0.000 1.973 205 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 205 K C 1.965 178.566 176.600 0.000 0.000 1.047 205 K CA 1.485 57.770 56.287 -0.003 0.000 0.937 205 K CB 0.092 32.585 32.500 -0.012 0.000 0.721 205 K HN -0.013 nan 8.250 nan 0.000 0.440 206 E N 0.786 120.981 120.200 -0.008 0.000 2.130 206 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 206 E C 2.059 178.666 176.600 0.011 0.000 0.998 206 E CA 1.094 57.494 56.400 -0.000 0.000 0.806 206 E CB -0.202 29.494 29.700 -0.006 0.000 0.738 206 E HN 0.472 nan 8.360 nan 0.000 0.459 207 I N 0.953 121.534 120.570 0.018 0.000 2.315 207 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 207 I C 2.007 178.145 176.117 0.035 0.000 1.117 207 I CA 0.996 62.320 61.300 0.039 0.000 1.404 207 I CB -0.162 37.884 38.000 0.077 0.000 1.071 207 I HN 0.084 nan 8.210 nan 0.000 0.419 208 E N 0.496 120.714 120.200 0.030 0.000 2.338 208 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 208 E C 2.004 178.614 176.600 0.017 0.000 1.007 208 E CA 0.763 57.178 56.400 0.024 0.000 0.849 208 E CB 0.063 29.776 29.700 0.021 0.000 0.774 208 E HN 0.514 nan 8.360 nan 0.000 0.506 209 L N -0.605 120.627 121.223 0.015 0.000 2.554 209 L HA 0.111 4.451 4.340 -0.000 0.000 0.226 209 L C 1.430 178.309 176.870 0.015 0.000 1.137 209 L CA 0.448 55.296 54.840 0.012 0.000 0.863 209 L CB 0.193 42.258 42.059 0.010 0.000 0.985 209 L HN 0.291 nan 8.230 nan 0.000 0.451 210 G N -0.633 108.178 108.800 0.019 0.000 2.159 210 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 210 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 210 G C 0.167 175.081 174.900 0.024 0.000 0.986 210 G CA -0.217 44.896 45.100 0.021 0.000 0.651 210 G HN 0.316 nan 8.290 nan 0.000 0.523 211 N N -0.043 118.671 118.700 0.023 0.000 2.405 211 N HA 0.553 5.293 4.740 -0.000 0.000 0.269 211 N C 0.334 175.864 175.510 0.033 0.000 1.249 211 N CA -0.195 52.871 53.050 0.026 0.000 0.974 211 N CB 0.362 38.862 38.487 0.021 0.000 1.204 211 N HN 0.263 nan 8.380 nan 0.000 0.565 212 R N 1.120 121.643 120.500 0.038 0.000 2.402 212 R HA 0.304 4.644 4.340 -0.000 0.000 0.290 212 R C -2.260 174.064 176.300 0.041 0.000 1.321 212 R CA -1.377 54.751 56.100 0.046 0.000 1.283 212 R CB 1.357 31.695 30.300 0.064 0.000 1.111 212 R HN 0.444 nan 8.270 nan 0.000 0.578 213 P HA -0.070 nan 4.420 nan 0.000 0.268 213 P C -0.336 176.970 177.300 0.011 0.000 1.208 213 P CA -0.121 62.983 63.100 0.006 0.000 0.777 213 P CB 1.074 32.756 31.700 -0.030 0.000 0.875 214 C N 2.820 122.133 119.300 0.021 0.000 2.609 214 C HA 0.539 4.999 4.460 -0.000 0.000 0.313 214 C C -0.801 174.214 174.990 0.042 0.000 1.175 214 C CA -0.379 58.663 59.018 0.041 0.000 1.434 214 C CB 1.074 28.863 27.740 0.082 0.000 2.005 214 C HN 0.380 nan 8.230 nan 0.000 0.471 215 V N 6.473 126.416 119.914 0.048 0.000 2.398 215 V HA 0.459 4.579 4.120 -0.000 0.000 0.286 215 V C -0.164 176.036 176.094 0.176 0.000 1.026 215 V CA -0.462 61.878 62.300 0.067 0.000 0.868 215 V CB 1.581 33.370 31.823 -0.056 0.000 0.982 215 V HN 0.822 nan 8.190 nan 0.000 0.443 216 L N 5.724 127.052 121.223 0.176 0.000 2.337 216 L HA 0.499 4.839 4.340 -0.000 0.000 0.269 216 L C 0.445 177.400 176.870 0.142 0.000 1.018 216 L CA 0.005 54.964 54.840 0.199 0.000 0.876 216 L CB 1.389 43.615 42.059 0.278 0.000 1.236 216 L HN 0.877 nan 8.230 nan 0.000 0.436 217 S N 2.029 117.795 115.700 0.110 0.000 2.672 217 S HA 0.591 5.061 4.470 -0.000 0.000 0.276 217 S C -0.037 174.529 174.600 -0.057 0.000 1.207 217 S CA -0.515 57.697 58.200 0.019 0.000 1.002 217 S CB 1.842 65.132 63.200 0.149 0.000 0.998 217 S HN 0.515 nan 8.310 nan 0.000 0.542 218 T N 2.302 116.781 114.554 -0.126 0.000 2.815 218 T HA 0.367 4.717 4.350 -0.000 0.000 0.289 218 T C 0.439 175.061 174.700 -0.129 0.000 1.000 218 T CA -0.485 61.528 62.100 -0.146 0.000 0.958 218 T CB 1.247 69.979 68.868 -0.227 0.000 0.944 218 T HN 0.546 nan 8.240 nan 0.000 0.442 219 L N 3.925 125.049 121.223 -0.164 0.000 2.354 219 L HA 0.310 4.649 4.340 -0.000 0.000 0.212 219 L C 0.941 177.627 176.870 -0.307 0.000 1.091 219 L CA 1.084 55.816 54.840 -0.180 0.000 0.828 219 L CB 0.204 42.136 42.059 -0.212 0.000 0.973 219 L HN 0.757 nan 8.230 nan 0.000 0.461 220 T N -2.464 111.829 114.554 -0.435 0.000 2.881 220 T HA 0.547 4.897 4.350 -0.000 0.000 0.291 220 T C -0.822 173.718 174.700 -0.267 0.000 0.990 220 T CA -0.444 61.252 62.100 -0.673 0.000 0.976 220 T CB 1.369 69.322 68.868 -1.524 0.000 0.970 220 T HN 0.012 nan 8.240 nan 0.000 0.438 221 F N 1.590 121.457 119.950 -0.137 0.000 2.779 221 F HA 0.696 5.223 4.527 -0.000 0.000 0.316 221 F C -1.528 174.397 175.800 0.209 0.000 1.164 221 F CA -2.121 55.938 58.000 0.099 0.000 0.924 221 F CB 1.213 40.250 39.000 0.062 0.000 1.348 221 F HN 0.619 nan 8.300 nan 0.000 0.467 222 F N 3.584 123.371 119.950 -0.272 0.000 2.553 222 F HA 0.203 4.730 4.527 -0.000 0.000 0.356 222 F C -1.268 174.581 175.800 0.082 0.000 1.142 222 F CA -0.701 57.242 58.000 -0.094 0.000 1.322 222 F CB -0.145 38.698 39.000 -0.262 0.000 1.126 222 F HN 0.340 nan 8.300 nan 0.000 0.599 223 P HA -0.324 nan 4.420 nan 0.000 0.223 223 P C -1.233 176.097 177.300 0.052 0.000 1.073 223 P CA 2.956 66.100 63.100 0.074 0.000 1.008 223 P CB -1.169 30.526 31.700 -0.008 0.000 0.760 224 P HA -0.187 nan 4.420 nan 0.000 0.217 224 P C 0.605 177.947 177.300 0.070 0.000 1.158 224 P CA 1.597 64.660 63.100 -0.061 0.000 0.887 224 P CB -0.345 31.229 31.700 -0.211 0.000 0.792 225 R N 1.436 122.041 120.500 0.175 0.000 2.401 225 R HA 0.136 4.476 4.340 -0.000 0.000 0.299 225 R C 0.127 176.547 176.300 0.200 0.000 1.064 225 R CA 0.072 56.295 56.100 0.205 0.000 1.000 225 R CB -0.737 29.748 30.300 0.309 0.000 0.973 225 R HN 0.136 nan 8.270 nan 0.000 0.438 226 N N 1.247 120.050 118.700 0.172 0.000 2.408 226 N HA 0.141 4.881 4.740 -0.000 0.000 0.260 226 N C -0.637 174.964 175.510 0.153 0.000 1.242 226 N CA -0.494 52.654 53.050 0.163 0.000 0.959 226 N CB 0.803 39.373 38.487 0.139 0.000 1.201 226 N HN 0.558 nan 8.380 nan 0.000 0.511 227 S N 0.551 116.351 115.700 0.167 0.000 2.580 227 S HA 0.081 4.551 4.470 -0.000 0.000 0.274 227 S C -0.415 174.221 174.600 0.060 0.000 1.329 227 S CA -0.603 57.672 58.200 0.125 0.000 1.036 227 S CB 0.556 63.865 63.200 0.181 0.000 0.919 227 S HN 0.377 nan 8.310 nan 0.000 0.515 228 D N 1.498 121.902 120.400 0.006 0.000 2.382 228 D HA 0.012 4.652 4.640 -0.000 0.000 0.240 228 D C 0.041 176.340 176.300 -0.003 0.000 1.146 228 D CA -0.068 53.930 54.000 -0.003 0.000 0.897 228 D CB 0.432 41.206 40.800 -0.044 0.000 1.197 228 D HN 0.439 nan 8.370 nan 0.000 0.432 229 D N 2.383 122.780 120.400 -0.005 0.000 2.597 229 D HA -0.050 4.590 4.640 -0.000 0.000 0.228 229 D C 1.415 177.695 176.300 -0.034 0.000 1.120 229 D CA -0.284 53.701 54.000 -0.025 0.000 1.083 229 D CB -0.187 40.595 40.800 -0.031 0.000 1.116 229 D HN 0.194 nan 8.370 nan 0.000 0.487 230 I N 1.955 122.512 120.570 -0.022 0.000 2.185 230 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 230 I C 2.289 178.411 176.117 0.007 0.000 1.088 230 I CA 0.826 62.131 61.300 0.009 0.000 1.347 230 I CB -0.833 37.142 38.000 -0.042 0.000 1.041 230 I HN 0.225 nan 8.210 nan 0.000 0.415 231 V N 0.306 120.204 119.914 -0.027 0.000 2.358 231 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 231 V C 2.524 178.547 176.094 -0.118 0.000 1.047 231 V CA 1.805 64.094 62.300 -0.018 0.000 1.035 231 V CB -0.638 31.187 31.823 0.003 0.000 0.658 231 V HN 0.285 nan 8.190 nan 0.000 0.452 232 E N 0.267 120.395 120.200 -0.121 0.000 2.106 232 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 232 E C 1.990 178.477 176.600 -0.188 0.000 0.984 232 E CA 1.134 57.435 56.400 -0.166 0.000 0.806 232 E CB -0.294 29.340 29.700 -0.110 0.000 0.750 232 E HN 0.589 nan 8.360 nan 0.000 0.458 233 I N 0.099 120.567 120.570 -0.169 0.000 2.226 233 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 233 I C 2.236 178.147 176.117 -0.343 0.000 1.100 233 I CA 1.050 62.189 61.300 -0.268 0.000 1.374 233 I CB -0.317 37.502 38.000 -0.300 0.000 1.057 233 I HN 0.145 nan 8.210 nan 0.000 0.413 234 A N 0.551 123.254 122.820 -0.194 0.000 1.972 234 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 234 A C 2.318 179.837 177.584 -0.107 0.000 1.169 234 A CA 1.458 53.471 52.037 -0.041 0.000 0.635 234 A CB -0.356 18.744 19.000 0.168 0.000 0.810 234 A HN 0.309 nan 8.150 nan 0.000 0.446 235 K N -0.365 119.833 120.400 -0.337 0.000 2.001 235 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 235 K C 1.851 178.355 176.600 -0.160 0.000 1.048 235 K CA 1.518 57.540 56.287 -0.441 0.000 0.932 235 K CB -0.406 31.743 32.500 -0.585 0.000 0.715 235 K HN 0.513 nan 8.250 nan 0.000 0.437 236 I N 1.108 121.593 120.570 -0.142 0.000 2.087 236 I HA -0.423 3.747 4.170 -0.000 0.000 0.240 236 I C 2.472 178.604 176.117 0.025 0.000 1.054 236 I CA 1.277 62.556 61.300 -0.036 0.000 1.311 236 I CB -0.583 37.334 38.000 -0.140 0.000 1.024 236 I HN 0.286 nan 8.210 nan 0.000 0.402 237 C N 0.363 119.602 119.300 -0.103 0.000 2.409 237 C HA -0.117 4.343 4.460 -0.000 0.000 0.284 237 C C 2.662 177.655 174.990 0.005 0.000 1.354 237 C CA 0.507 59.480 59.018 -0.075 0.000 1.787 237 C CB -1.171 26.472 27.740 -0.161 0.000 1.900 237 C HN 0.478 nan 8.230 nan 0.000 0.520 238 E N 1.054 121.270 120.200 0.026 0.000 2.107 238 E HA -0.095 4.254 4.350 -0.000 0.000 0.191 238 E C 1.764 178.392 176.600 0.047 0.000 0.982 238 E CA 0.790 57.222 56.400 0.053 0.000 0.809 238 E CB -0.248 29.522 29.700 0.117 0.000 0.756 238 E HN 0.661 nan 8.360 nan 0.000 0.459 239 N N 0.117 118.856 118.700 0.066 0.000 2.171 239 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 239 N C 1.542 177.030 175.510 -0.036 0.000 1.021 239 N CA 0.968 54.027 53.050 0.014 0.000 0.854 239 N CB -0.382 38.110 38.487 0.009 0.000 0.994 239 N HN 0.246 nan 8.380 nan 0.000 0.426 240 Y N 0.706 120.970 120.300 -0.059 0.000 2.511 240 Y HA 0.041 4.591 4.550 -0.000 0.000 0.279 240 Y C 0.260 176.121 175.900 -0.065 0.000 1.157 240 Y CA -0.165 57.901 58.100 -0.057 0.000 1.300 240 Y CB -0.052 38.371 38.460 -0.061 0.000 1.052 240 Y HN -0.028 nan 8.280 nan 0.000 0.529 241 D N 0.213 120.645 120.400 0.053 0.000 2.716 241 D HA -0.202 4.438 4.640 -0.000 0.000 0.239 241 D C -1.003 175.250 176.300 -0.078 0.000 1.125 241 D CA 0.361 54.340 54.000 -0.035 0.000 0.681 241 D CB -1.293 39.488 40.800 -0.030 0.000 1.070 241 D HN 0.152 nan 8.370 nan 0.000 0.432 242 I N 1.004 121.534 120.570 -0.067 0.000 2.530 242 I HA 0.460 4.630 4.170 -0.000 0.000 0.297 242 I C -1.934 174.087 176.117 -0.161 0.000 1.011 242 I CA -2.211 59.032 61.300 -0.097 0.000 1.107 242 I CB 1.785 39.758 38.000 -0.045 0.000 1.285 242 I HN -0.151 nan 8.210 nan 0.000 0.436 243 P HA 0.056 nan 4.420 nan 0.000 0.271 243 P C -1.235 176.056 177.300 -0.016 0.000 1.218 243 P CA 0.126 63.128 63.100 -0.163 0.000 0.780 243 P CB 0.456 32.125 31.700 -0.052 0.000 0.901 244 H N 2.317 121.292 119.070 -0.157 0.000 2.823 244 H HA 0.521 5.077 4.556 -0.000 0.000 0.332 244 H C -0.931 174.345 175.328 -0.087 0.000 0.980 244 H CA -0.858 55.129 56.048 -0.102 0.000 1.286 244 H CB 0.775 30.478 29.762 -0.097 0.000 1.541 244 H HN 0.272 nan 8.280 nan 0.000 0.521 245 I N 6.711 127.290 120.570 0.015 0.000 2.474 245 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 245 I C -0.410 175.610 176.117 -0.163 0.000 1.005 245 I CA -0.789 60.463 61.300 -0.081 0.000 1.113 245 I CB 2.189 40.229 38.000 0.066 0.000 1.289 245 I HN 0.484 nan 8.210 nan 0.000 0.436 246 I N 5.285 125.707 120.570 -0.247 0.000 2.382 246 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 246 I C -0.133 175.902 176.117 -0.136 0.000 1.002 246 I CA -0.633 60.529 61.300 -0.230 0.000 1.135 246 I CB 1.490 39.281 38.000 -0.349 0.000 1.288 246 I HN 0.503 nan 8.210 nan 0.000 0.448 247 N N 5.665 124.317 118.700 -0.080 0.000 2.402 247 N HA 0.170 4.910 4.740 -0.000 0.000 0.259 247 N C 0.134 175.566 175.510 -0.129 0.000 1.167 247 N CA -0.095 52.919 53.050 -0.060 0.000 0.949 247 N CB 0.977 39.457 38.487 -0.013 0.000 1.212 247 N HN 0.788 nan 8.380 nan 0.000 0.493 248 G N 2.299 111.025 108.800 -0.123 0.000 4.975 248 G HA2 0.449 4.408 3.960 -0.000 0.000 0.312 248 G HA3 0.449 4.408 3.960 -0.000 0.000 0.312 248 G C 1.057 175.885 174.900 -0.121 0.000 1.425 248 G CA 0.100 45.098 45.100 -0.171 0.000 1.076 248 G HN 0.682 nan 8.290 nan 0.000 0.586 249 A N 1.243 123.962 122.820 -0.169 0.000 1.882 249 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 249 A C 1.549 179.159 177.584 0.044 0.000 1.253 249 A CA 1.977 53.981 52.037 -0.056 0.000 0.664 249 A CB -0.797 18.167 19.000 -0.059 0.000 0.838 249 A HN 1.105 nan 8.150 nan 0.000 0.460 250 Y N -3.313 116.967 120.300 -0.034 0.000 2.764 250 Y HA 0.756 5.306 4.550 -0.000 0.000 0.350 250 Y C 1.335 177.239 175.900 0.006 0.000 0.982 250 Y CA -0.443 57.664 58.100 0.012 0.000 1.431 250 Y CB -0.739 37.730 38.460 0.014 0.000 1.326 250 Y HN 0.217 nan 8.280 nan 0.000 0.550 251 A N 0.846 123.676 122.820 0.018 0.000 1.930 251 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 251 A C 1.932 179.711 177.584 0.325 0.000 1.176 251 A CA 1.185 53.276 52.037 0.090 0.000 0.632 251 A CB -0.515 18.514 19.000 0.049 0.000 0.819 251 A HN 0.648 nan 8.150 nan 0.000 0.445 252 I N 0.728 121.489 120.570 0.317 0.000 2.208 252 I HA -0.364 3.806 4.170 -0.000 0.000 0.245 252 I C 2.757 179.078 176.117 0.340 0.000 1.097 252 I CA 1.836 63.318 61.300 0.303 0.000 1.363 252 I CB -0.536 37.604 38.000 0.233 0.000 1.051 252 I HN 0.608 nan 8.210 nan 0.000 0.413 253 Q N 0.659 120.673 119.800 0.355 0.000 2.364 253 Q HA -0.105 4.235 4.340 -0.000 0.000 0.209 253 Q C 0.805 176.937 176.000 0.220 0.000 0.977 253 Q CA 1.035 57.021 55.803 0.305 0.000 0.885 253 Q CB -0.204 28.670 28.738 0.226 0.000 0.941 253 Q HN 0.415 nan 8.270 nan 0.000 0.464 254 N N -0.042 118.832 118.700 0.291 0.000 2.284 254 N HA 0.115 4.855 4.740 -0.000 0.000 0.300 254 N C -0.397 175.227 175.510 0.190 0.000 1.047 254 N CA -0.449 52.730 53.050 0.216 0.000 0.821 254 N CB 1.551 40.176 38.487 0.231 0.000 1.337 254 N HN 0.013 nan 8.380 nan 0.000 0.482 255 N N 1.384 120.152 118.700 0.113 0.000 2.244 255 N HA -0.175 4.565 4.740 -0.000 0.000 0.183 255 N C 1.233 176.800 175.510 0.095 0.000 1.016 255 N CA 0.849 53.958 53.050 0.097 0.000 0.866 255 N CB -0.196 38.331 38.487 0.066 0.000 0.980 255 N HN 0.597 nan 8.380 nan 0.000 0.430 256 Y N 0.658 120.896 120.300 -0.104 0.000 2.181 256 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 256 Y C 1.743 177.565 175.900 -0.129 0.000 1.146 256 Y CA 1.593 59.584 58.100 -0.181 0.000 1.164 256 Y CB -0.678 37.571 38.460 -0.352 0.000 0.982 256 Y HN 0.130 nan 8.280 nan 0.000 0.515 257 Y N -0.988 119.332 120.300 0.033 0.000 2.220 257 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 257 Y C 2.408 178.289 175.900 -0.031 0.000 1.129 257 Y CA 0.806 58.875 58.100 -0.052 0.000 1.161 257 Y CB -0.325 38.169 38.460 0.057 0.000 0.997 257 Y HN 0.036 nan 8.280 nan 0.000 0.522 258 L N 0.164 121.502 121.223 0.192 0.000 2.131 258 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 258 L C 2.455 179.372 176.870 0.079 0.000 1.092 258 L CA 1.472 56.407 54.840 0.160 0.000 0.759 258 L CB -0.364 41.789 42.059 0.157 0.000 0.903 258 L HN 0.315 nan 8.230 nan 0.000 0.435 259 E N 0.528 120.740 120.200 0.020 0.000 2.051 259 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 259 E C 2.138 178.707 176.600 -0.052 0.000 0.991 259 E CA 1.257 57.649 56.400 -0.013 0.000 0.799 259 E CB 0.137 29.817 29.700 -0.033 0.000 0.748 259 E HN 0.379 nan 8.360 nan 0.000 0.449 260 K N 0.228 120.557 120.400 -0.118 0.000 2.097 260 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 260 K C 2.294 178.815 176.600 -0.131 0.000 1.049 260 K CA 1.148 57.358 56.287 -0.129 0.000 0.933 260 K CB -0.143 32.254 32.500 -0.173 0.000 0.717 260 K HN 0.204 nan 8.250 nan 0.000 0.442 261 L N 1.151 122.290 121.223 -0.141 0.000 2.017 261 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 261 L C 2.540 179.238 176.870 -0.287 0.000 1.073 261 L CA 1.408 56.051 54.840 -0.328 0.000 0.745 261 L CB -0.375 41.579 42.059 -0.174 0.000 0.894 261 L HN 0.133 nan 8.230 nan 0.000 0.432 262 K N 0.165 120.567 120.400 0.003 0.000 2.074 262 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 262 K C 2.143 178.784 176.600 0.068 0.000 1.048 262 K CA 1.665 58.030 56.287 0.130 0.000 0.926 262 K CB 0.044 32.604 32.500 0.101 0.000 0.713 262 K HN 0.229 nan 8.250 nan 0.000 0.444 263 K N -0.505 119.897 120.400 0.004 0.000 2.062 263 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 263 K C 2.117 178.742 176.600 0.042 0.000 1.051 263 K CA 0.994 57.295 56.287 0.023 0.000 0.941 263 K CB -0.053 32.464 32.500 0.027 0.000 0.719 263 K HN 0.119 nan 8.250 nan 0.000 0.440 264 A N 1.032 123.823 122.820 -0.049 0.000 1.933 264 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 264 A C 1.771 179.361 177.584 0.009 0.000 1.175 264 A CA 1.298 53.316 52.037 -0.031 0.000 0.628 264 A CB -0.717 18.155 19.000 -0.213 0.000 0.814 264 A HN 0.192 nan 8.150 nan 0.000 0.444 265 F N 0.161 120.128 119.950 0.029 0.000 2.408 265 F HA -0.056 4.471 4.527 -0.000 0.000 0.300 265 F C 2.038 177.797 175.800 -0.068 0.000 1.090 265 F CA 1.125 59.117 58.000 -0.014 0.000 1.427 265 F CB -0.394 38.588 39.000 -0.030 0.000 1.070 265 F HN 0.197 nan 8.300 nan 0.000 0.549 266 K N -1.207 119.201 120.400 0.012 0.000 2.280 266 K HA -0.152 4.168 4.320 -0.000 0.000 0.202 266 K C 0.354 176.644 176.600 -0.515 0.000 1.047 266 K CA 1.092 57.200 56.287 -0.300 0.000 0.942 266 K CB 0.086 32.285 32.500 -0.503 0.000 0.739 266 K HN 0.238 nan 8.250 nan 0.000 0.457 267 Y N -0.986 119.353 120.300 0.065 0.000 3.303 267 Y HA 0.289 4.839 4.550 -0.000 0.000 0.326 267 Y C 0.071 176.009 175.900 0.063 0.000 1.476 267 Y CA -0.966 57.162 58.100 0.047 0.000 0.816 267 Y CB 0.198 38.674 38.460 0.026 0.000 1.213 267 Y HN -0.343 nan 8.280 nan 0.000 0.806 268 R N 0.907 121.561 120.500 0.257 0.000 2.207 268 R HA 0.621 4.961 4.340 -0.000 0.000 0.334 268 R C -2.159 174.254 176.300 0.188 0.000 1.013 268 R CA -0.110 56.080 56.100 0.150 0.000 0.858 268 R CB 0.450 30.791 30.300 0.069 0.000 1.094 268 R HN 0.417 nan 8.270 nan 0.000 0.457 269 V N 5.657 125.646 119.914 0.126 0.000 2.555 269 V HA 0.089 4.209 4.120 -0.000 0.000 0.283 269 V C -0.058 176.025 176.094 -0.018 0.000 1.020 269 V CA -0.641 61.676 62.300 0.027 0.000 0.883 269 V CB 1.529 33.373 31.823 0.035 0.000 1.030 269 V HN 0.908 nan 8.190 nan 0.000 0.448 270 D N 3.191 123.481 120.400 -0.183 0.000 2.149 270 D HA 0.138 4.778 4.640 -0.000 0.000 0.201 270 D C 0.731 176.920 176.300 -0.184 0.000 0.972 270 D CA 1.469 55.221 54.000 -0.412 0.000 0.835 270 D CB 0.879 41.063 40.800 -1.026 0.000 0.966 270 D HN 0.657 nan 8.370 nan 0.000 0.476 271 A N -0.087 122.677 122.820 -0.093 0.000 2.604 271 A HA 0.523 4.843 4.320 -0.000 0.000 0.295 271 A C -1.385 176.128 177.584 -0.119 0.000 1.067 271 A CA -0.586 51.471 52.037 0.033 0.000 0.683 271 A CB 1.765 20.938 19.000 0.287 0.000 1.281 271 A HN -0.097 nan 8.150 nan 0.000 0.407 272 V N 0.881 120.650 119.914 -0.242 0.000 2.656 272 V HA 0.654 4.774 4.120 -0.000 0.000 0.307 272 V C -0.616 175.288 176.094 -0.317 0.000 1.051 272 V CA -0.620 61.432 62.300 -0.414 0.000 0.893 272 V CB 1.751 33.086 31.823 -0.813 0.000 0.999 272 V HN 0.797 nan 8.190 nan 0.000 0.426 273 V N 3.000 122.847 119.914 -0.111 0.000 2.495 273 V HA 0.703 4.822 4.120 -0.000 0.000 0.298 273 V C -0.111 176.062 176.094 0.131 0.000 1.031 273 V CA -0.165 62.171 62.300 0.059 0.000 0.871 273 V CB 2.112 33.973 31.823 0.063 0.000 0.988 273 V HN 0.938 nan 8.190 nan 0.000 0.432 274 S N 1.911 117.767 115.700 0.260 0.000 2.548 274 S HA 0.513 4.983 4.470 -0.000 0.000 0.286 274 S C -0.331 174.382 174.600 0.189 0.000 1.098 274 S CA -0.608 57.739 58.200 0.246 0.000 0.930 274 S CB 2.036 65.470 63.200 0.389 0.000 1.070 274 S HN 0.706 nan 8.310 nan 0.000 0.480 275 S N 2.023 117.815 115.700 0.154 0.000 2.549 275 S HA 0.095 4.564 4.470 -0.000 0.000 0.279 275 S C 1.488 176.161 174.600 0.121 0.000 1.321 275 S CA -0.455 57.823 58.200 0.131 0.000 1.054 275 S CB 0.892 64.174 63.200 0.136 0.000 0.899 275 S HN 0.834 nan 8.310 nan 0.000 0.497 276 S N 1.590 117.345 115.700 0.091 0.000 2.461 276 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 276 S C 1.289 175.915 174.600 0.043 0.000 1.005 276 S CA 0.718 58.950 58.200 0.053 0.000 0.942 276 S CB -0.210 63.009 63.200 0.033 0.000 0.776 276 S HN 0.856 nan 8.310 nan 0.000 0.514 277 D N 1.776 122.213 120.400 0.062 0.000 2.213 277 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 277 D C 1.536 177.879 176.300 0.071 0.000 0.961 277 D CA 0.582 54.616 54.000 0.057 0.000 0.853 277 D CB -0.349 40.485 40.800 0.058 0.000 0.967 277 D HN 0.390 nan 8.370 nan 0.000 0.496 278 K N -0.076 120.383 120.400 0.097 0.000 2.366 278 K HA 0.056 4.376 4.320 -0.000 0.000 0.198 278 K C 1.182 177.862 176.600 0.134 0.000 1.044 278 K CA 0.504 56.856 56.287 0.108 0.000 0.973 278 K CB 0.204 32.801 32.500 0.163 0.000 0.767 278 K HN 0.142 nan 8.250 nan 0.000 0.475 279 N N -0.249 118.534 118.700 0.138 0.000 2.445 279 N HA 0.084 4.823 4.740 -0.000 0.000 0.204 279 N C 1.059 176.666 175.510 0.161 0.000 1.098 279 N CA 0.401 53.560 53.050 0.182 0.000 0.859 279 N CB 0.704 39.299 38.487 0.180 0.000 1.249 279 N HN 0.043 nan 8.380 nan 0.000 0.462 280 L N 1.397 122.647 121.223 0.045 0.000 2.857 280 L HA 0.385 4.725 4.340 -0.000 0.000 0.249 280 L C -0.116 176.761 176.870 0.011 0.000 1.172 280 L CA -0.011 54.811 54.840 -0.030 0.000 0.980 280 L CB 0.213 42.164 42.059 -0.181 0.000 1.299 280 L HN -0.015 nan 8.230 nan 0.000 0.535 281 L N 0.133 121.383 121.223 0.046 0.000 3.677 281 L HA -0.244 4.096 4.340 -0.000 0.000 0.464 281 L C 0.384 177.266 176.870 0.019 0.000 1.278 281 L CA 0.338 55.200 54.840 0.036 0.000 0.806 281 L CB -2.120 39.963 42.059 0.040 0.000 1.610 281 L HN 0.343 nan 8.230 nan 0.000 0.867 282 T N -0.123 114.441 114.554 0.017 0.000 2.944 282 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 282 T C -2.111 172.603 174.700 0.024 0.000 1.010 282 T CA -1.576 60.532 62.100 0.013 0.000 1.025 282 T CB 1.676 70.546 68.868 0.004 0.000 1.079 282 T HN 0.150 nan 8.240 nan 0.000 0.516 283 P HA 0.246 nan 4.420 nan 0.000 0.272 283 P C -0.327 176.995 177.300 0.036 0.000 1.240 283 P CA -0.487 62.631 63.100 0.030 0.000 0.791 283 P CB 0.263 31.980 31.700 0.027 0.000 0.978 284 I N 0.189 120.785 120.570 0.042 0.000 2.752 284 I HA 0.248 4.417 4.170 -0.000 0.000 0.287 284 I C 1.711 177.856 176.117 0.047 0.000 1.188 284 I CA 1.688 63.019 61.300 0.051 0.000 1.427 284 I CB -0.732 37.303 38.000 0.058 0.000 1.365 284 I HN 0.793 nan 8.210 nan 0.000 0.585 285 G N 3.119 111.950 108.800 0.052 0.000 2.198 285 G HA2 0.025 3.985 3.960 -0.000 0.000 0.156 285 G HA3 0.025 3.985 3.960 -0.000 0.000 0.156 285 G C 0.148 175.072 174.900 0.040 0.000 1.012 285 G CA -0.389 44.739 45.100 0.047 0.000 0.692 285 G HN 1.095 nan 8.290 nan 0.000 0.492 286 G N -0.890 107.936 108.800 0.044 0.000 2.537 286 G HA2 0.885 4.845 3.960 -0.000 0.000 0.308 286 G HA3 0.885 4.845 3.960 -0.000 0.000 0.308 286 G C -0.072 174.864 174.900 0.060 0.000 1.237 286 G CA -0.069 45.054 45.100 0.038 0.000 0.968 286 G HN 1.242 nan 8.290 nan 0.000 0.481 287 G N -1.020 107.820 108.800 0.067 0.000 2.619 287 G HA2 0.625 4.585 3.960 -0.000 0.000 0.296 287 G HA3 0.625 4.585 3.960 -0.000 0.000 0.296 287 G C -1.410 173.568 174.900 0.130 0.000 1.334 287 G CA -0.731 44.429 45.100 0.101 0.000 0.934 287 G HN 0.637 nan 8.290 nan 0.000 0.476 288 L N 1.018 122.353 121.223 0.187 0.000 2.404 288 L HA 0.539 4.879 4.340 -0.000 0.000 0.272 288 L C -0.760 176.333 176.870 0.370 0.000 0.980 288 L CA -0.975 54.023 54.840 0.265 0.000 0.836 288 L CB 2.215 44.444 42.059 0.284 0.000 1.238 288 L HN 0.206 nan 8.230 nan 0.000 0.408 289 V N 3.882 123.995 119.914 0.332 0.000 2.448 289 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 289 V C -0.940 175.363 176.094 0.350 0.000 1.025 289 V CA -0.573 61.905 62.300 0.296 0.000 0.859 289 V CB 1.540 33.461 31.823 0.164 0.000 0.988 289 V HN 0.633 nan 8.190 nan 0.000 0.431 290 Y N 2.125 122.426 120.300 0.002 0.000 2.562 290 Y HA 0.900 5.450 4.550 -0.000 0.000 0.345 290 Y C -0.388 175.481 175.900 -0.052 0.000 1.045 290 Y CA -0.868 57.155 58.100 -0.127 0.000 1.028 290 Y CB 2.177 40.346 38.460 -0.485 0.000 1.297 290 Y HN 0.541 nan 8.280 nan 0.000 0.463 291 S N -0.399 115.291 115.700 -0.018 0.000 2.595 291 S HA 0.306 4.776 4.470 -0.000 0.000 0.270 291 S C 0.176 174.666 174.600 -0.184 0.000 1.145 291 S CA -0.110 58.033 58.200 -0.096 0.000 0.825 291 S CB 1.085 64.335 63.200 0.083 0.000 1.107 291 S HN 1.134 nan 8.310 nan 0.000 0.461 292 T N -0.936 113.455 114.554 -0.270 0.000 3.067 292 T HA 0.176 4.526 4.350 -0.000 0.000 0.261 292 T C 0.313 175.060 174.700 0.078 0.000 1.110 292 T CA 0.599 62.571 62.100 -0.214 0.000 1.113 292 T CB -0.281 68.426 68.868 -0.268 0.000 0.917 292 T HN 0.475 nan 8.240 nan 0.000 0.499 293 D N 1.293 121.762 120.400 0.116 0.000 2.428 293 D HA 0.534 5.174 4.640 -0.000 0.000 0.221 293 D C 1.222 177.612 176.300 0.150 0.000 1.123 293 D CA -0.198 53.892 54.000 0.151 0.000 0.869 293 D CB 1.264 42.151 40.800 0.145 0.000 1.032 293 D HN 0.199 nan 8.370 nan 0.000 0.506 294 A N 3.965 126.792 122.820 0.012 0.000 1.978 294 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 294 A C 1.877 179.405 177.584 -0.093 0.000 1.170 294 A CA 1.290 53.163 52.037 -0.273 0.000 0.636 294 A CB -0.338 18.269 19.000 -0.655 0.000 0.810 294 A HN 0.712 nan 8.150 nan 0.000 0.448 295 E N -1.596 118.603 120.200 -0.002 0.000 2.153 295 E HA -0.189 4.160 4.350 -0.000 0.000 0.194 295 E C 1.623 178.271 176.600 0.080 0.000 0.988 295 E CA 1.084 57.502 56.400 0.029 0.000 0.811 295 E CB -0.195 29.543 29.700 0.063 0.000 0.746 295 E HN 0.606 nan 8.360 nan 0.000 0.466 296 F N 0.473 120.423 119.950 -0.001 0.000 2.234 296 F HA -0.033 4.494 4.527 -0.000 0.000 0.296 296 F C 1.844 177.646 175.800 0.003 0.000 1.089 296 F CA 0.532 58.543 58.000 0.017 0.000 1.343 296 F CB -0.027 39.019 39.000 0.076 0.000 1.040 296 F HN 0.018 nan 8.300 nan 0.000 0.498 297 I N 0.725 121.312 120.570 0.028 0.000 2.226 297 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 297 I C 2.268 178.317 176.117 -0.114 0.000 1.100 297 I CA 1.482 62.755 61.300 -0.045 0.000 1.374 297 I CB -0.668 37.334 38.000 0.003 0.000 1.057 297 I HN 0.005 nan 8.210 nan 0.000 0.413 298 K N -0.256 120.082 120.400 -0.104 0.000 2.103 298 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 298 K C 2.090 178.611 176.600 -0.131 0.000 1.048 298 K CA 1.453 57.680 56.287 -0.101 0.000 0.930 298 K CB -0.141 32.308 32.500 -0.085 0.000 0.716 298 K HN 0.162 nan 8.250 nan 0.000 0.444 299 E N 1.371 121.448 120.200 -0.205 0.000 2.106 299 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 299 E C 1.703 178.135 176.600 -0.280 0.000 0.984 299 E CA 0.964 57.210 56.400 -0.257 0.000 0.806 299 E CB -0.107 29.376 29.700 -0.362 0.000 0.750 299 E HN 0.231 nan 8.360 nan 0.000 0.458 300 I N 0.602 120.956 120.570 -0.361 0.000 2.286 300 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 300 I C 2.064 178.125 176.117 -0.094 0.000 1.115 300 I CA 1.466 62.614 61.300 -0.252 0.000 1.392 300 I CB -0.347 37.520 38.000 -0.222 0.000 1.065 300 I HN 0.150 nan 8.210 nan 0.000 0.418 301 S N 0.338 115.996 115.700 -0.070 0.000 2.607 301 S HA 0.055 4.525 4.470 -0.000 0.000 0.224 301 S C 1.450 176.059 174.600 0.014 0.000 0.969 301 S CA 0.385 58.584 58.200 -0.003 0.000 0.927 301 S CB -0.342 62.859 63.200 0.002 0.000 0.772 301 S HN 0.444 nan 8.310 nan 0.000 0.533 302 L N 0.946 122.155 121.223 -0.023 0.000 2.769 302 L HA 0.352 4.691 4.340 -0.000 0.000 0.240 302 L C 1.352 178.217 176.870 -0.007 0.000 1.163 302 L CA -0.076 54.757 54.840 -0.011 0.000 0.962 302 L CB 0.211 42.244 42.059 -0.042 0.000 1.258 302 L HN 0.245 nan 8.230 nan 0.000 0.513 303 S N -1.332 114.372 115.700 0.007 0.000 2.503 303 S HA 0.036 4.505 4.470 -0.000 0.000 0.215 303 S C 0.336 174.964 174.600 0.047 0.000 1.003 303 S CA -0.193 58.007 58.200 0.001 0.000 0.910 303 S CB 0.039 63.226 63.200 -0.022 0.000 0.790 303 S HN 0.306 nan 8.310 nan 0.000 0.514 304 Y N 5.817 126.105 120.300 -0.020 0.000 2.539 304 Y HA 0.264 4.814 4.550 -0.000 0.000 0.352 304 Y C -2.530 173.369 175.900 -0.002 0.000 1.004 304 Y CA -2.923 55.177 58.100 0.000 0.000 1.278 304 Y CB 0.397 38.866 38.460 0.016 0.000 1.136 304 Y HN 0.051 nan 8.280 nan 0.000 0.528 305 P HA 0.234 nan 4.420 nan 0.000 0.265 305 P C 0.374 177.524 177.300 -0.250 0.000 1.222 305 P CA 1.049 64.001 63.100 -0.246 0.000 0.767 305 P CB 0.623 32.181 31.700 -0.235 0.000 0.801 306 G N 3.770 112.548 108.800 -0.036 0.000 2.627 306 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.214 306 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.214 306 G C -0.988 174.032 174.900 0.200 0.000 1.331 306 G CA -0.909 44.219 45.100 0.048 0.000 0.891 306 G HN 0.645 nan 8.290 nan 0.000 0.539 307 R N -0.021 120.586 120.500 0.178 0.000 2.428 307 R HA 0.700 5.040 4.340 -0.000 0.000 0.294 307 R C 0.492 176.921 176.300 0.215 0.000 1.000 307 R CA 0.070 56.271 56.100 0.169 0.000 0.960 307 R CB 1.631 31.993 30.300 0.103 0.000 1.076 307 R HN 1.105 nan 8.270 nan 0.000 0.475 308 A N 1.469 124.349 122.820 0.100 0.000 2.313 308 A HA 0.448 4.768 4.320 -0.000 0.000 0.323 308 A C -0.134 177.427 177.584 -0.039 0.000 1.133 308 A CA -0.580 51.462 52.037 0.010 0.000 0.847 308 A CB 1.571 20.366 19.000 -0.342 0.000 1.308 308 A HN 0.606 nan 8.150 nan 0.000 0.475 309 S N -0.996 114.685 115.700 -0.033 0.000 2.576 309 S HA 0.355 4.825 4.470 -0.000 0.000 0.272 309 S C 1.186 175.732 174.600 -0.090 0.000 1.352 309 S CA 0.214 58.398 58.200 -0.027 0.000 1.021 309 S CB 0.759 63.957 63.200 -0.004 0.000 0.887 309 S HN 1.460 nan 8.310 nan 0.000 0.542 310 A N 3.178 125.966 122.820 -0.054 0.000 2.063 310 A HA 0.145 4.465 4.320 -0.000 0.000 0.211 310 A C 2.099 179.636 177.584 -0.078 0.000 1.177 310 A CA 0.990 52.959 52.037 -0.114 0.000 0.759 310 A CB -1.113 17.866 19.000 -0.035 0.000 0.857 310 A HN 0.816 nan 8.150 nan 0.000 0.468 311 T N 1.792 116.343 114.554 -0.005 0.000 2.597 311 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 311 T C -0.236 174.459 174.700 -0.008 0.000 1.053 311 T CA 2.122 64.231 62.100 0.016 0.000 1.165 311 T CB -1.230 67.659 68.868 0.034 0.000 0.863 311 T HN 0.473 nan 8.240 nan 0.000 0.427 312 P HA 0.024 nan 4.420 nan 0.000 0.218 312 P C 1.592 178.872 177.300 -0.033 0.000 1.149 312 P CA 0.742 63.829 63.100 -0.021 0.000 0.817 312 P CB -0.231 31.457 31.700 -0.020 0.000 0.785 313 V N 0.018 119.885 119.914 -0.078 0.000 2.453 313 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 313 V C 2.768 178.840 176.094 -0.036 0.000 1.048 313 V CA 1.393 63.649 62.300 -0.074 0.000 1.049 313 V CB -0.912 30.777 31.823 -0.224 0.000 0.672 313 V HN -0.051 nan 8.190 nan 0.000 0.457 314 V N 0.500 120.389 119.914 -0.042 0.000 2.515 314 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 314 V C 2.291 178.400 176.094 0.025 0.000 1.058 314 V CA 1.669 63.973 62.300 0.007 0.000 1.064 314 V CB -0.759 31.100 31.823 0.059 0.000 0.675 314 V HN 0.572 nan 8.190 nan 0.000 0.461 315 N N 0.048 118.756 118.700 0.013 0.000 2.166 315 N HA -0.135 4.604 4.740 -0.000 0.000 0.186 315 N C 1.919 177.423 175.510 -0.009 0.000 1.019 315 N CA 1.881 54.936 53.050 0.010 0.000 0.856 315 N CB -0.318 38.175 38.487 0.009 0.000 0.993 315 N HN 0.408 nan 8.380 nan 0.000 0.426 316 T N 1.487 116.031 114.554 -0.017 0.000 2.821 316 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 316 T C 1.905 176.568 174.700 -0.063 0.000 1.046 316 T CA 0.397 62.468 62.100 -0.049 0.000 1.139 316 T CB -0.130 68.719 68.868 -0.030 0.000 0.871 316 T HN 0.069 nan 8.240 nan 0.000 0.454 317 L N 1.146 122.360 121.223 -0.014 0.000 2.109 317 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 317 L C 2.328 179.195 176.870 -0.004 0.000 1.086 317 L CA 1.327 56.169 54.840 0.003 0.000 0.760 317 L CB -0.586 41.519 42.059 0.077 0.000 0.910 317 L HN 0.046 nan 8.230 nan 0.000 0.437 318 V N -1.000 118.922 119.914 0.012 0.000 2.343 318 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 318 V C 2.568 178.643 176.094 -0.031 0.000 1.051 318 V CA 1.784 64.090 62.300 0.010 0.000 1.036 318 V CB -0.667 31.171 31.823 0.025 0.000 0.654 318 V HN 0.484 nan 8.190 nan 0.000 0.451 319 S N 0.236 115.903 115.700 -0.054 0.000 2.351 319 S HA -0.164 4.306 4.470 -0.000 0.000 0.220 319 S C 1.921 176.446 174.600 -0.125 0.000 1.035 319 S CA 1.801 59.952 58.200 -0.081 0.000 1.031 319 S CB -0.446 62.690 63.200 -0.108 0.000 0.928 319 S HN 0.454 nan 8.310 nan 0.000 0.433 320 L N 1.222 122.328 121.223 -0.195 0.000 2.013 320 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 320 L C 2.362 179.152 176.870 -0.134 0.000 1.073 320 L CA 1.267 55.967 54.840 -0.234 0.000 0.753 320 L CB -0.728 41.172 42.059 -0.266 0.000 0.890 320 L HN 0.288 nan 8.230 nan 0.000 0.432 321 L N -1.032 120.121 121.223 -0.117 0.000 2.027 321 L HA -0.103 4.236 4.340 -0.000 0.000 0.206 321 L C 1.973 178.792 176.870 -0.086 0.000 1.074 321 L CA 0.465 55.232 54.840 -0.122 0.000 0.745 321 L CB -0.500 41.464 42.059 -0.159 0.000 0.898 321 L HN 0.272 nan 8.230 nan 0.000 0.433 325 S N 0.349 116.101 115.700 0.086 0.000 2.383 325 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 325 S C 2.069 176.736 174.600 0.111 0.000 1.026 325 S CA 1.580 59.846 58.200 0.110 0.000 0.981 325 S CB -0.191 63.034 63.200 0.042 0.000 0.818 325 S HN 0.499 nan 8.310 nan 0.000 0.472 326 K N 2.030 122.469 120.400 0.065 0.000 1.987 326 K HA -0.036 4.284 4.320 -0.000 0.000 0.216 326 K C 1.975 178.611 176.600 0.060 0.000 1.051 326 K CA 2.051 58.366 56.287 0.046 0.000 0.942 326 K CB -0.711 31.804 32.500 0.024 0.000 0.722 326 K HN 0.562 nan 8.250 nan 0.000 0.444 327 N N -1.360 117.381 118.700 0.068 0.000 2.149 327 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 327 N C 1.615 177.172 175.510 0.078 0.000 1.019 327 N CA 1.091 54.177 53.050 0.060 0.000 0.857 327 N CB -0.211 38.312 38.487 0.060 0.000 0.997 327 N HN 0.173 nan 8.380 nan 0.000 0.426 328 Y N 1.688 122.011 120.300 0.038 0.000 2.145 328 Y HA -0.081 4.469 4.550 -0.000 0.000 0.286 328 Y C 1.970 177.891 175.900 0.035 0.000 1.145 328 Y CA 1.216 59.354 58.100 0.063 0.000 1.148 328 Y CB -0.240 38.307 38.460 0.147 0.000 0.981 328 Y HN 0.009 nan 8.280 nan 0.000 0.507 329 L N -0.484 120.788 121.223 0.082 0.000 2.046 329 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 329 L C 2.322 179.159 176.870 -0.055 0.000 1.077 329 L CA 1.479 56.321 54.840 0.003 0.000 0.747 329 L CB -0.531 41.545 42.059 0.029 0.000 0.896 329 L HN 0.129 nan 8.230 nan 0.000 0.432 330 E N 0.430 120.607 120.200 -0.038 0.000 2.058 330 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 330 E C 2.261 178.810 176.600 -0.085 0.000 0.997 330 E CA 1.161 57.533 56.400 -0.046 0.000 0.801 330 E CB -0.376 29.309 29.700 -0.025 0.000 0.746 330 E HN 0.339 nan 8.360 nan 0.000 0.450 331 L N -0.353 120.790 121.223 -0.133 0.000 2.042 331 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 331 L C 2.270 179.022 176.870 -0.196 0.000 1.076 331 L CA 0.850 55.585 54.840 -0.176 0.000 0.749 331 L CB -0.412 41.491 42.059 -0.259 0.000 0.893 331 L HN 0.083 nan 8.230 nan 0.000 0.432 332 V N -0.150 119.614 119.914 -0.250 0.000 2.358 332 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 332 V C 2.534 178.572 176.094 -0.093 0.000 1.047 332 V CA 1.788 63.981 62.300 -0.177 0.000 1.035 332 V CB -0.551 31.176 31.823 -0.161 0.000 0.658 332 V HN 0.454 nan 8.190 nan 0.000 0.452 333 K N 0.614 120.968 120.400 -0.076 0.000 2.057 333 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 333 K C 1.847 178.419 176.600 -0.047 0.000 1.049 333 K CA 2.130 58.388 56.287 -0.049 0.000 0.931 333 K CB -0.321 32.156 32.500 -0.039 0.000 0.714 333 K HN 0.605 nan 8.250 nan 0.000 0.440 334 N N 0.275 118.942 118.700 -0.055 0.000 2.309 334 N HA -0.202 4.538 4.740 -0.000 0.000 0.182 334 N C 1.875 177.358 175.510 -0.045 0.000 1.018 334 N CA 1.040 54.062 53.050 -0.047 0.000 0.876 334 N CB -0.001 38.457 38.487 -0.048 0.000 0.972 334 N HN 0.342 nan 8.380 nan 0.000 0.434 335 Q N 1.825 121.594 119.800 -0.052 0.000 2.123 335 Q HA -0.032 4.308 4.340 -0.000 0.000 0.199 335 Q C 1.616 177.595 176.000 -0.036 0.000 0.966 335 Q CA 1.408 57.185 55.803 -0.043 0.000 0.845 335 Q CB -0.128 28.583 28.738 -0.045 0.000 0.907 335 Q HN 0.078 nan 8.270 nan 0.000 0.439 336 K N -0.027 120.351 120.400 -0.036 0.000 2.063 336 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 336 K C 1.763 178.344 176.600 -0.032 0.000 1.048 336 K CA 1.479 57.746 56.287 -0.034 0.000 0.928 336 K CB -0.056 32.425 32.500 -0.031 0.000 0.713 336 K HN 0.349 nan 8.250 nan 0.000 0.442 337 N N 0.059 118.741 118.700 -0.031 0.000 2.171 337 N HA -0.072 4.667 4.740 -0.000 0.000 0.184 337 N C 1.795 177.289 175.510 -0.026 0.000 1.021 337 N CA 0.999 54.032 53.050 -0.028 0.000 0.854 337 N CB -0.275 38.195 38.487 -0.027 0.000 0.994 337 N HN 0.004 nan 8.380 nan 0.000 0.426 338 S N 0.959 116.643 115.700 -0.026 0.000 2.400 338 S HA -0.079 4.391 4.470 -0.000 0.000 0.232 338 S C 1.826 176.416 174.600 -0.016 0.000 1.025 338 S CA 0.977 59.164 58.200 -0.021 0.000 0.993 338 S CB 0.062 63.248 63.200 -0.024 0.000 0.808 338 S HN 0.254 nan 8.310 nan 0.000 0.478 339 K N 1.623 122.012 120.400 -0.019 0.000 1.991 339 K HA 0.027 4.346 4.320 -0.000 0.000 0.207 339 K C 1.923 178.520 176.600 -0.006 0.000 1.045 339 K CA 1.175 57.456 56.287 -0.011 0.000 0.937 339 K CB -0.307 32.180 32.500 -0.022 0.000 0.720 339 K HN 0.264 nan 8.250 nan 0.000 0.438 340 K N 0.807 121.195 120.400 -0.020 0.000 2.152 340 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 340 K C 2.057 178.636 176.600 -0.035 0.000 1.048 340 K CA 0.933 57.203 56.287 -0.029 0.000 0.933 340 K CB -0.181 32.298 32.500 -0.036 0.000 0.721 340 K HN 0.036 nan 8.250 nan 0.000 0.447 341 L N 1.355 122.562 121.223 -0.027 0.000 2.109 341 L HA -0.080 4.259 4.340 -0.000 0.000 0.207 341 L C 1.940 178.797 176.870 -0.022 0.000 1.086 341 L CA 1.265 56.088 54.840 -0.029 0.000 0.760 341 L CB -0.363 41.683 42.059 -0.022 0.000 0.910 341 L HN 0.134 nan 8.230 nan 0.000 0.437 342 L N -0.851 120.371 121.223 -0.001 0.000 2.017 342 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 342 L C 2.095 178.992 176.870 0.045 0.000 1.073 342 L CA 1.872 56.730 54.840 0.029 0.000 0.745 342 L CB -0.407 41.679 42.059 0.045 0.000 0.894 342 L HN 0.297 nan 8.230 nan 0.000 0.432 343 D N -0.226 120.199 120.400 0.040 0.000 2.103 343 D HA -0.278 4.362 4.640 -0.000 0.000 0.190 343 D C 2.050 178.157 176.300 -0.323 0.000 0.997 343 D CA 1.926 55.912 54.000 -0.023 0.000 0.833 343 D CB -0.140 40.657 40.800 -0.004 0.000 0.961 343 D HN 0.573 nan 8.370 nan 0.000 0.447 344 E N 0.684 120.754 120.200 -0.217 0.000 2.077 344 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 344 E C 2.295 178.788 176.600 -0.178 0.000 0.989 344 E CA 0.803 57.067 56.400 -0.227 0.000 0.800 344 E CB -0.644 28.972 29.700 -0.139 0.000 0.746 344 E HN 0.280 nan 8.360 nan 0.000 0.452 345 L N 0.695 121.858 121.223 -0.100 0.000 1.989 345 L HA -0.195 4.144 4.340 -0.000 0.000 0.211 345 L C 2.837 179.682 176.870 -0.042 0.000 1.071 345 L CA 1.187 55.995 54.840 -0.055 0.000 0.749 345 L CB -0.446 41.602 42.059 -0.019 0.000 0.890 345 L HN 0.231 nan 8.230 nan 0.000 0.431 346 L N -0.426 120.792 121.223 -0.008 0.000 2.083 346 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 346 L C 2.493 179.375 176.870 0.020 0.000 1.083 346 L CA 1.186 56.084 54.840 0.098 0.000 0.752 346 L CB -0.659 41.612 42.059 0.354 0.000 0.899 346 L HN 0.447 nan 8.230 nan 0.000 0.433 347 N N 0.013 118.531 118.700 -0.304 0.000 2.120 347 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 347 N C 1.466 176.891 175.510 -0.142 0.000 1.024 347 N CA 1.392 54.218 53.050 -0.374 0.000 0.852 347 N CB -0.021 38.089 38.487 -0.630 0.000 1.003 347 N HN 0.314 nan 8.380 nan 0.000 0.424 348 D N 0.734 121.062 120.400 -0.120 0.000 2.097 348 D HA -0.147 4.492 4.640 -0.000 0.000 0.195 348 D C 2.015 178.300 176.300 -0.025 0.000 0.989 348 D CA 0.487 54.448 54.000 -0.064 0.000 0.827 348 D CB -0.141 40.625 40.800 -0.056 0.000 0.966 348 D HN 0.167 nan 8.370 nan 0.000 0.456 349 L N 1.042 122.262 121.223 -0.006 0.000 2.081 349 L HA -0.101 4.238 4.340 -0.000 0.000 0.212 349 L C 1.350 178.237 176.870 0.028 0.000 1.080 349 L CA 1.174 56.025 54.840 0.019 0.000 0.754 349 L CB -0.864 41.220 42.059 0.041 0.000 0.893 349 L HN -0.169 nan 8.230 nan 0.000 0.433 350 S N -1.202 114.521 115.700 0.038 0.000 2.598 350 S HA 0.139 4.609 4.470 -0.000 0.000 0.256 350 S C 1.165 175.777 174.600 0.020 0.000 1.350 350 S CA 0.273 58.501 58.200 0.047 0.000 0.984 350 S CB 0.298 63.543 63.200 0.075 0.000 0.930 350 S HN 0.437 nan 8.310 nan 0.000 0.577 351 K N 0.215 120.628 120.400 0.021 0.000 8.070 351 K HA -0.207 4.113 4.320 -0.000 0.000 0.487 351 K C 1.391 177.997 176.600 0.011 0.000 0.363 351 K CA 2.480 58.774 56.287 0.011 0.000 1.957 351 K CB -1.853 30.646 32.500 -0.001 0.000 0.676 351 K HN 0.760 nan 8.250 nan 0.000 0.908 352 K N 0.844 121.250 120.400 0.010 0.000 2.211 352 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 352 K C 1.594 178.203 176.600 0.015 0.000 1.050 352 K CA 1.455 57.748 56.287 0.010 0.000 0.945 352 K CB 0.023 32.528 32.500 0.008 0.000 0.732 352 K HN 0.469 nan 8.250 nan 0.000 0.451 353 T N -2.327 112.239 114.554 0.020 0.000 2.804 353 T HA 0.338 4.688 4.350 -0.000 0.000 0.272 353 T C 1.380 176.095 174.700 0.026 0.000 0.986 353 T CA -0.180 61.935 62.100 0.024 0.000 0.999 353 T CB 1.373 70.258 68.868 0.029 0.000 1.307 353 T HN 0.141 nan 8.240 nan 0.000 0.586 354 G N -0.245 108.572 108.800 0.028 0.000 2.562 354 G HA2 0.240 4.200 3.960 -0.000 0.000 0.223 354 G HA3 0.240 4.200 3.960 -0.000 0.000 0.223 354 G C 1.050 175.969 174.900 0.031 0.000 1.102 354 G CA 0.970 46.089 45.100 0.031 0.000 0.742 354 G HN 1.624 nan 8.290 nan 0.000 0.587 355 G N -1.308 107.512 108.800 0.032 0.000 2.698 355 G HA2 0.288 4.248 3.960 -0.000 0.000 0.225 355 G HA3 0.288 4.248 3.960 -0.000 0.000 0.225 355 G C -0.065 174.851 174.900 0.027 0.000 1.345 355 G CA 0.319 45.440 45.100 0.036 0.000 0.871 355 G HN 1.458 nan 8.290 nan 0.000 0.540 356 K N -2.574 117.849 120.400 0.039 0.000 3.916 356 K HA -0.060 4.260 4.320 -0.000 0.000 0.930 356 K C -0.825 175.785 176.600 0.017 0.000 1.279 356 K CA 0.979 57.270 56.287 0.007 0.000 1.337 356 K CB -1.589 30.860 32.500 -0.085 0.000 2.888 356 K HN 1.940 nan 8.250 nan 0.000 0.222 357 F N 6.256 126.169 119.950 -0.062 0.000 2.377 357 F HA 0.409 4.936 4.527 -0.000 0.000 0.360 357 F C 0.367 176.128 175.800 -0.066 0.000 1.147 357 F CA -0.832 57.135 58.000 -0.055 0.000 1.170 357 F CB 0.299 39.277 39.000 -0.037 0.000 1.339 357 F HN 0.366 nan 8.300 nan 0.000 0.552 358 L N 4.365 125.314 121.223 -0.456 0.000 2.593 358 L HA -0.104 4.235 4.340 -0.000 0.000 0.287 358 L C 0.108 176.715 176.870 -0.438 0.000 1.243 358 L CA 0.472 55.080 54.840 -0.388 0.000 0.890 358 L CB 0.105 41.936 42.059 -0.379 0.000 1.134 358 L HN 0.565 nan 8.230 nan 0.000 0.502 359 D N 3.288 123.575 120.400 -0.189 0.000 2.467 359 D HA 0.410 5.050 4.640 -0.000 0.000 0.220 359 D C -0.553 175.689 176.300 -0.096 0.000 1.103 359 D CA -0.387 53.546 54.000 -0.111 0.000 0.886 359 D CB 0.805 41.595 40.800 -0.017 0.000 1.025 359 D HN 0.233 nan 8.370 nan 0.000 0.514 360 V N 0.923 120.759 119.914 -0.131 0.000 2.919 360 V HA 0.495 4.615 4.120 -0.000 0.000 0.316 360 V C 1.233 177.290 176.094 -0.062 0.000 1.077 360 V CA -0.803 61.449 62.300 -0.080 0.000 0.977 360 V CB 1.918 33.678 31.823 -0.105 0.000 1.039 360 V HN 0.468 nan 8.190 nan 0.000 0.441 361 E N 1.054 121.243 120.200 -0.018 0.000 2.107 361 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 361 E C 1.303 177.854 176.600 -0.081 0.000 0.982 361 E CA 0.871 57.252 56.400 -0.031 0.000 0.809 361 E CB 0.128 29.877 29.700 0.081 0.000 0.756 361 E HN 0.857 nan 8.360 nan 0.000 0.459 362 S N 0.996 116.701 115.700 0.009 0.000 2.599 362 S HA -0.047 4.423 4.470 -0.000 0.000 0.303 362 S C -1.962 172.584 174.600 -0.089 0.000 1.267 362 S CA -0.818 57.401 58.200 0.032 0.000 1.055 362 S CB 0.753 63.995 63.200 0.070 0.000 0.790 362 S HN 0.113 nan 8.310 nan 0.000 0.500 363 P HA 0.222 nan 4.420 nan 0.000 0.261 363 P C 0.531 177.799 177.300 -0.054 0.000 1.268 363 P CA -0.040 62.964 63.100 -0.160 0.000 0.833 363 P CB 0.010 31.563 31.700 -0.246 0.000 1.231 364 I N -4.968 115.599 120.570 -0.006 0.000 4.530 364 I HA 0.542 4.712 4.170 -0.000 0.000 0.318 364 I C 0.512 176.599 176.117 -0.050 0.000 1.257 364 I CA -0.395 60.892 61.300 -0.022 0.000 1.301 364 I CB -0.041 37.945 38.000 -0.023 0.000 1.297 364 I HN -0.245 nan 8.210 nan 0.000 0.451 365 A N 0.567 123.356 122.820 -0.051 0.000 2.337 365 A HA 0.906 5.226 4.320 -0.000 0.000 0.331 365 A C -0.366 177.195 177.584 -0.039 0.000 1.137 365 A CA -0.412 51.593 52.037 -0.053 0.000 0.807 365 A CB 1.131 20.076 19.000 -0.093 0.000 1.250 365 A HN 0.205 nan 8.150 nan 0.000 0.468 366 S N -0.900 114.784 115.700 -0.027 0.000 2.570 366 S HA 0.689 5.158 4.470 -0.000 0.000 0.286 366 S C -0.869 173.661 174.600 -0.117 0.000 1.099 366 S CA -0.382 57.767 58.200 -0.083 0.000 0.913 366 S CB 1.358 64.593 63.200 0.058 0.000 1.085 366 S HN 0.918 nan 8.310 nan 0.000 0.480 367 C N 2.010 121.125 119.300 -0.309 0.000 2.889 367 C HA 0.786 5.245 4.460 -0.000 0.000 0.307 367 C C -0.598 174.222 174.990 -0.283 0.000 1.251 367 C CA -0.796 58.081 59.018 -0.236 0.000 1.593 367 C CB 0.816 28.335 27.740 -0.369 0.000 2.104 367 C HN 0.914 nan 8.230 nan 0.000 0.476 368 I N 2.134 122.663 120.570 -0.068 0.000 2.586 368 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 368 I C 0.085 176.224 176.117 0.036 0.000 1.147 368 I CA 0.278 61.566 61.300 -0.019 0.000 1.047 368 I CB 1.706 39.759 38.000 0.089 0.000 1.244 368 I HN 0.904 nan 8.210 nan 0.000 0.429 369 S N 6.376 122.039 115.700 -0.061 0.000 2.572 369 S HA 0.497 4.967 4.470 -0.000 0.000 0.279 369 S C -0.528 174.093 174.600 0.035 0.000 1.341 369 S CA -0.438 57.740 58.200 -0.036 0.000 1.043 369 S CB 1.756 64.762 63.200 -0.323 0.000 0.887 369 S HN 0.586 nan 8.310 nan 0.000 0.516 370 V N 1.944 121.904 119.914 0.076 0.000 2.962 370 V HA 0.475 4.595 4.120 -0.000 0.000 0.313 370 V C -0.852 175.280 176.094 0.063 0.000 1.099 370 V CA -1.022 61.315 62.300 0.062 0.000 0.971 370 V CB 2.175 34.032 31.823 0.055 0.000 1.028 370 V HN 1.007 nan 8.190 nan 0.000 0.430 371 N N 3.392 122.122 118.700 0.050 0.000 2.378 371 N HA 0.295 5.035 4.740 -0.000 0.000 0.243 371 N C -0.498 175.032 175.510 0.034 0.000 1.137 371 N CA -0.019 53.058 53.050 0.046 0.000 0.862 371 N CB 0.630 39.141 38.487 0.040 0.000 1.116 371 N HN 0.554 nan 8.380 nan 0.000 0.499 372 S N -0.436 115.283 115.700 0.031 0.000 2.671 372 S HA 0.127 4.597 4.470 -0.000 0.000 0.277 372 S C -1.083 173.525 174.600 0.014 0.000 1.165 372 S CA -0.961 57.252 58.200 0.021 0.000 0.822 372 S CB 1.988 65.200 63.200 0.019 0.000 1.150 372 S HN 0.153 nan 8.310 nan 0.000 0.479 373 D N 1.690 122.093 120.400 0.006 0.000 2.451 373 D HA 0.205 4.845 4.640 -0.000 0.000 0.254 373 D C -1.697 174.596 176.300 -0.012 0.000 1.204 373 D CA -1.248 52.749 54.000 -0.005 0.000 0.896 373 D CB 0.820 41.616 40.800 -0.007 0.000 1.136 373 D HN -0.006 nan 8.370 nan 0.000 0.499 374 P HA -0.133 nan 4.420 nan 0.000 0.217 374 P C 1.328 178.600 177.300 -0.046 0.000 1.150 374 P CA 0.440 63.512 63.100 -0.047 0.000 0.832 374 P CB 0.270 31.908 31.700 -0.103 0.000 0.787 375 V N -0.081 119.803 119.914 -0.049 0.000 2.626 375 V HA -0.183 3.937 4.120 -0.000 0.000 0.252 375 V C 2.456 178.531 176.094 -0.031 0.000 1.067 375 V CA 1.851 64.122 62.300 -0.048 0.000 1.081 375 V CB -1.087 30.705 31.823 -0.052 0.000 0.686 375 V HN 0.145 nan 8.190 nan 0.000 0.468 376 E N 0.645 120.833 120.200 -0.019 0.000 2.112 376 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 376 E C 1.976 178.579 176.600 0.005 0.000 0.979 376 E CA 1.083 57.479 56.400 -0.007 0.000 0.814 376 E CB -0.214 29.484 29.700 -0.003 0.000 0.762 376 E HN 0.582 nan 8.360 nan 0.000 0.460 377 I N 0.489 121.062 120.570 0.005 0.000 2.252 377 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 377 I C 2.351 178.484 176.117 0.027 0.000 1.102 377 I CA 1.008 62.319 61.300 0.017 0.000 1.385 377 I CB -0.370 37.641 38.000 0.018 0.000 1.064 377 I HN 0.196 nan 8.210 nan 0.000 0.414 378 A N 0.813 123.642 122.820 0.016 0.000 1.930 378 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 378 A C 2.558 180.171 177.584 0.049 0.000 1.175 378 A CA 1.612 53.666 52.037 0.030 0.000 0.627 378 A CB -0.700 18.301 19.000 0.002 0.000 0.815 378 A HN 0.412 nan 8.150 nan 0.000 0.443 379 A N 0.278 123.111 122.820 0.023 0.000 1.865 379 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 379 A C 2.103 179.741 177.584 0.090 0.000 1.191 379 A CA 1.907 53.964 52.037 0.033 0.000 0.623 379 A CB -0.517 18.484 19.000 0.002 0.000 0.826 379 A HN 0.542 nan 8.150 nan 0.000 0.444 380 K N -0.361 120.076 120.400 0.062 0.000 2.063 380 K HA -0.089 4.230 4.320 -0.000 0.000 0.208 380 K C 1.895 178.540 176.600 0.076 0.000 1.048 380 K CA 1.440 57.764 56.287 0.062 0.000 0.928 380 K CB -0.456 32.068 32.500 0.040 0.000 0.713 380 K HN 0.475 nan 8.250 nan 0.000 0.442 381 L N -0.243 121.029 121.223 0.081 0.000 2.012 381 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 381 L C 2.495 179.430 176.870 0.108 0.000 1.073 381 L CA 1.363 56.251 54.840 0.080 0.000 0.748 381 L CB -0.564 41.542 42.059 0.079 0.000 0.891 381 L HN 0.174 nan 8.230 nan 0.000 0.431 382 Y N 1.566 121.870 120.300 0.007 0.000 2.193 382 Y HA -0.285 4.265 4.550 -0.000 0.000 0.285 382 Y C 2.063 177.967 175.900 0.005 0.000 1.166 382 Y CA 1.817 59.921 58.100 0.006 0.000 1.181 382 Y CB -0.348 38.114 38.460 0.004 0.000 0.976 382 Y HN 0.243 nan 8.280 nan 0.000 0.520 383 N N 0.111 118.895 118.700 0.140 0.000 2.626 383 N HA -0.031 4.709 4.740 -0.000 0.000 0.193 383 N C 0.097 175.604 175.510 -0.005 0.000 1.213 383 N CA 0.856 53.939 53.050 0.056 0.000 0.914 383 N CB -0.165 38.367 38.487 0.074 0.000 0.994 383 N HN 0.409 nan 8.380 nan 0.000 0.447 384 L N -0.779 120.429 121.223 -0.025 0.000 3.366 384 L HA 0.346 4.686 4.340 -0.000 0.000 0.304 384 L C 0.176 177.008 176.870 -0.064 0.000 1.292 384 L CA -0.205 54.617 54.840 -0.031 0.000 1.012 384 L CB 0.316 42.373 42.059 -0.003 0.000 1.414 384 L HN -0.005 nan 8.230 nan 0.000 0.603 385 R N -1.080 119.339 120.500 -0.136 0.000 4.000 385 R HA -0.147 4.193 4.340 -0.000 0.000 0.362 385 R C 0.076 176.302 176.300 -0.124 0.000 1.183 385 R CA 0.516 56.510 56.100 -0.177 0.000 1.011 385 R CB -1.879 28.351 30.300 -0.117 0.000 1.501 385 R HN 0.136 nan 8.270 nan 0.000 0.553 386 V N 2.064 121.937 119.914 -0.068 0.000 2.405 386 V HA 0.137 4.257 4.120 -0.000 0.000 0.264 386 V C 0.814 176.924 176.094 0.026 0.000 1.048 386 V CA 0.380 62.674 62.300 -0.010 0.000 0.966 386 V CB 1.476 33.313 31.823 0.023 0.000 1.015 386 V HN 0.079 nan 8.190 nan 0.000 0.477 387 T N 3.855 118.426 114.554 0.029 0.000 2.829 387 T HA 0.633 4.983 4.350 -0.000 0.000 0.282 387 T C 1.115 175.871 174.700 0.093 0.000 0.990 387 T CA 0.495 62.648 62.100 0.089 0.000 1.028 387 T CB 1.525 70.427 68.868 0.057 0.000 0.951 387 T HN 1.106 nan 8.240 nan 0.000 0.460 388 G N 3.270 112.143 108.800 0.122 0.000 2.313 388 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 388 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 388 G C -1.891 173.073 174.900 0.107 0.000 1.023 388 G CA -0.611 44.551 45.100 0.104 0.000 0.626 388 G HN 0.732 nan 8.290 nan 0.000 0.503 389 P HA 0.375 nan 4.420 nan 0.000 0.267 389 P C -0.272 177.073 177.300 0.076 0.000 1.205 389 P CA 0.320 63.477 63.100 0.094 0.000 0.765 389 P CB 0.630 32.380 31.700 0.083 0.000 0.828 390 R N 1.568 122.115 120.500 0.079 0.000 2.474 390 R HA 0.623 4.963 4.340 -0.000 0.000 0.295 390 R C 0.468 176.763 176.300 -0.008 0.000 0.980 390 R CA -0.720 55.391 56.100 0.019 0.000 0.934 390 R CB 1.911 32.207 30.300 -0.007 0.000 1.101 390 R HN 0.575 nan 8.270 nan 0.000 0.469 391 G N 3.033 111.793 108.800 -0.066 0.000 2.588 391 G HA2 0.512 4.472 3.960 -0.000 0.000 0.312 391 G HA3 0.512 4.472 3.960 -0.000 0.000 0.312 391 G C -0.782 174.003 174.900 -0.191 0.000 1.257 391 G CA -0.337 44.698 45.100 -0.108 0.000 0.994 391 G HN 0.284 nan 8.290 nan 0.000 0.498 392 I N 1.280 121.626 120.570 -0.374 0.000 2.493 392 I HA 0.368 4.538 4.170 -0.000 0.000 0.298 392 I C 0.334 176.228 176.117 -0.371 0.000 0.998 392 I CA -0.646 60.407 61.300 -0.411 0.000 1.137 392 I CB 2.178 39.847 38.000 -0.552 0.000 1.310 392 I HN 0.292 nan 8.210 nan 0.000 0.445 393 K N 4.362 124.650 120.400 -0.186 0.000 2.144 393 K HA 0.256 4.576 4.320 -0.000 0.000 0.270 393 K C 0.851 177.446 176.600 -0.008 0.000 1.005 393 K CA -0.673 55.562 56.287 -0.087 0.000 0.932 393 K CB 1.074 33.539 32.500 -0.059 0.000 1.021 393 K HN 0.546 nan 8.250 nan 0.000 0.462 394 K N -0.289 120.163 120.400 0.087 0.000 2.442 394 K HA -0.101 4.219 4.320 -0.000 0.000 0.198 394 K C 0.974 177.663 176.600 0.148 0.000 1.042 394 K CA 1.582 58.002 56.287 0.221 0.000 0.958 394 K CB -0.092 32.514 32.500 0.176 0.000 0.766 394 K HN 0.617 nan 8.250 nan 0.000 0.474 395 T N -2.517 112.047 114.554 0.016 0.000 3.054 395 T HA 0.014 4.364 4.350 -0.000 0.000 0.255 395 T C 0.036 174.544 174.700 -0.319 0.000 1.035 395 T CA -0.326 61.705 62.100 -0.115 0.000 0.941 395 T CB 0.021 68.839 68.868 -0.084 0.000 1.026 395 T HN 0.125 nan 8.240 nan 0.000 0.533 396 D N 1.844 122.151 120.400 -0.154 0.000 2.470 396 D HA 0.103 4.742 4.640 -0.000 0.000 0.226 396 D C 1.254 177.542 176.300 -0.021 0.000 1.196 396 D CA -0.380 53.550 54.000 -0.116 0.000 0.979 396 D CB 0.058 40.831 40.800 -0.045 0.000 1.059 396 D HN 0.235 nan 8.370 nan 0.000 0.515 397 H N 2.519 121.692 119.070 0.173 0.000 2.289 397 H HA -0.236 4.320 4.556 -0.000 0.000 0.294 397 H C 1.517 177.017 175.328 0.286 0.000 1.095 397 H CA 1.206 57.383 56.048 0.216 0.000 1.256 397 H CB -0.510 29.356 29.762 0.173 0.000 1.359 397 H HN 0.480 nan 8.280 nan 0.000 0.487 398 F N 1.298 121.398 119.950 0.251 0.000 2.216 398 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 398 F C 2.537 178.408 175.800 0.118 0.000 1.085 398 F CA 1.227 59.346 58.000 0.199 0.000 1.326 398 F CB -0.408 38.668 39.000 0.126 0.000 1.027 398 F HN 0.160 nan 8.300 nan 0.000 0.497 399 G N -0.404 108.492 108.800 0.160 0.000 2.394 399 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 399 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 399 G C 1.388 176.301 174.900 0.021 0.000 1.165 399 G CA 0.695 45.804 45.100 0.015 0.000 0.784 399 G HN 0.321 nan 8.290 nan 0.000 0.535 400 N N -0.431 118.314 118.700 0.074 0.000 2.398 400 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 400 N C 1.001 176.592 175.510 0.134 0.000 1.122 400 N CA 0.635 53.709 53.050 0.040 0.000 0.866 400 N CB 0.026 38.511 38.487 -0.004 0.000 0.970 400 N HN 0.269 nan 8.380 nan 0.000 0.462 401 C N 1.163 120.563 119.300 0.167 0.000 4.268 401 C HA -0.271 4.189 4.460 -0.000 0.000 0.299 401 C C -0.604 174.611 174.990 0.374 0.000 1.429 401 C CA 0.182 59.277 59.018 0.128 0.000 2.018 401 C CB -2.830 24.938 27.740 0.045 0.000 1.277 401 C HN 0.519 nan 8.230 nan 0.000 0.767 402 Y N -0.785 119.682 120.300 0.279 0.000 2.421 402 Y HA 0.575 5.125 4.550 -0.000 0.000 0.339 402 Y C 0.153 176.207 175.900 0.257 0.000 0.996 402 Y CA -1.203 57.042 58.100 0.241 0.000 1.046 402 Y CB 0.784 39.365 38.460 0.201 0.000 1.226 402 Y HN 0.124 nan 8.280 nan 0.000 0.445 403 L N 5.261 126.211 121.223 -0.455 0.000 2.627 403 L HA 0.312 4.652 4.340 -0.000 0.000 0.232 403 L C 1.011 177.501 176.870 -0.634 0.000 1.150 403 L CA 0.535 55.059 54.840 -0.527 0.000 0.917 403 L CB -0.577 41.171 42.059 -0.519 0.000 1.104 403 L HN 0.789 nan 8.230 nan 0.000 0.445 404 G N -1.109 107.205 108.800 -0.810 0.000 3.119 404 G HA2 0.358 4.318 3.960 -0.000 0.000 0.206 404 G HA3 0.358 4.318 3.960 -0.000 0.000 0.206 404 G C -0.759 174.386 174.900 0.410 0.000 1.313 404 G CA -0.234 44.721 45.100 -0.241 0.000 1.010 404 G HN -0.125 nan 8.290 nan 0.000 0.578 405 T N 0.941 115.766 114.554 0.451 0.000 2.738 405 T HA 0.308 4.658 4.350 -0.000 0.000 0.298 405 T C -0.547 174.393 174.700 0.400 0.000 0.962 405 T CA -0.044 62.276 62.100 0.368 0.000 0.972 405 T CB 0.293 69.284 68.868 0.206 0.000 0.928 405 T HN 0.312 nan 8.240 nan 0.000 0.474 406 Y N 2.538 122.992 120.300 0.257 0.000 2.459 406 Y HA 0.071 4.620 4.550 -0.000 0.000 0.349 406 Y C 1.876 177.800 175.900 0.041 0.000 1.266 406 Y CA 0.323 58.501 58.100 0.129 0.000 1.483 406 Y CB 0.697 39.268 38.460 0.185 0.000 1.362 406 Y HN 0.574 nan 8.280 nan 0.000 0.628 407 T N 3.253 117.275 114.554 -0.886 0.000 3.129 407 T HA 0.138 4.487 4.350 -0.000 0.000 0.251 407 T C -0.632 173.536 174.700 -0.887 0.000 1.117 407 T CA 0.386 62.006 62.100 -0.800 0.000 1.034 407 T CB -0.645 67.717 68.868 -0.845 0.000 0.968 407 T HN 0.574 nan 8.240 nan 0.000 0.526 408 H N 0.183 119.055 119.070 -0.330 0.000 3.042 408 H HA 0.365 4.921 4.556 -0.000 0.000 0.346 408 H C -1.546 173.973 175.328 0.318 0.000 1.294 408 H CA -0.859 55.234 56.048 0.075 0.000 1.141 408 H CB 1.586 31.439 29.762 0.152 0.000 1.872 408 H HN 0.128 nan 8.280 nan 0.000 0.541 409 D N 1.893 122.510 120.400 0.363 0.000 2.349 409 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 409 D C -0.367 176.045 176.300 0.187 0.000 1.071 409 D CA -0.027 54.065 54.000 0.153 0.000 0.832 409 D CB 1.354 42.206 40.800 0.086 0.000 1.086 409 D HN 0.368 nan 8.370 nan 0.000 0.504 410 Y N -0.214 120.156 120.300 0.118 0.000 2.728 410 Y HA 0.707 5.256 4.550 -0.000 0.000 0.330 410 Y C -1.362 174.566 175.900 0.046 0.000 1.234 410 Y CA -1.317 56.821 58.100 0.065 0.000 1.070 410 Y CB 1.148 39.648 38.460 0.067 0.000 1.300 410 Y HN 0.119 nan 8.280 nan 0.000 0.467 411 I N 1.995 122.747 120.570 0.303 0.000 2.498 411 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 411 I C -0.910 175.377 176.117 0.283 0.000 1.032 411 I CA -1.108 60.310 61.300 0.198 0.000 1.073 411 I CB 2.092 40.158 38.000 0.111 0.000 1.251 411 I HN 0.676 nan 8.210 nan 0.000 0.426 415 A N 0.560 123.354 122.820 -0.044 0.000 3.232 415 A HA 0.773 5.093 4.320 -0.000 0.000 0.312 415 A C 0.238 177.792 177.584 -0.051 0.000 1.185 415 A CA -0.308 51.709 52.037 -0.034 0.000 1.011 415 A CB -0.518 18.470 19.000 -0.021 0.000 1.096 415 A HN 0.804 nan 8.150 nan 0.000 0.543 416 A N 0.532 123.310 122.820 -0.070 0.000 2.425 416 A HA 0.465 4.785 4.320 -0.000 0.000 0.242 416 A C 0.556 178.108 177.584 -0.052 0.000 1.077 416 A CA -0.330 51.657 52.037 -0.084 0.000 0.781 416 A CB 0.020 18.954 19.000 -0.110 0.000 1.020 416 A HN 1.002 nan 8.150 nan 0.000 0.494 417 I N 1.315 121.860 120.570 -0.043 0.000 2.821 417 I HA 0.239 4.409 4.170 -0.000 0.000 0.294 417 I C 1.297 177.389 176.117 -0.042 0.000 1.210 417 I CA 1.992 63.264 61.300 -0.048 0.000 1.430 417 I CB 0.039 38.010 38.000 -0.048 0.000 1.356 417 I HN 1.189 nan 8.210 nan 0.000 0.563 418 G N 4.568 113.339 108.800 -0.047 0.000 2.179 418 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 418 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 418 G C 0.125 175.010 174.900 -0.026 0.000 0.990 418 G CA 0.010 45.089 45.100 -0.034 0.000 0.646 418 G HN 0.718 nan 8.290 nan 0.000 0.517 419 V N 1.170 121.067 119.914 -0.029 0.000 2.740 419 V HA 0.619 4.739 4.120 -0.000 0.000 0.303 419 V C 1.000 177.082 176.094 -0.020 0.000 1.054 419 V CA 0.026 62.312 62.300 -0.022 0.000 1.106 419 V CB 0.684 32.493 31.823 -0.023 0.000 0.957 419 V HN 0.434 nan 8.190 nan 0.000 0.486 420 R N 3.549 124.040 120.500 -0.015 0.000 2.500 420 R HA 0.390 4.730 4.340 -0.000 0.000 0.277 420 R C 1.373 177.665 176.300 -0.013 0.000 1.026 420 R CA 0.145 56.236 56.100 -0.014 0.000 1.058 420 R CB 0.981 31.274 30.300 -0.012 0.000 1.078 420 R HN 0.844 nan 8.270 nan 0.000 0.509 421 T N 1.309 115.855 114.554 -0.013 0.000 2.746 421 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 421 T C 1.242 175.936 174.700 -0.009 0.000 1.039 421 T CA 1.935 64.028 62.100 -0.012 0.000 1.142 421 T CB -0.156 68.704 68.868 -0.013 0.000 0.866 421 T HN 0.715 nan 8.240 nan 0.000 0.444 422 E N 1.723 121.918 120.200 -0.009 0.000 2.118 422 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 422 E C 1.611 178.208 176.600 -0.005 0.000 0.992 422 E CA 1.474 57.870 56.400 -0.007 0.000 0.804 422 E CB -0.359 29.336 29.700 -0.008 0.000 0.741 422 E HN 0.385 nan 8.360 nan 0.000 0.458 423 D N 0.832 121.228 120.400 -0.006 0.000 2.117 423 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 423 D C 1.992 178.293 176.300 0.002 0.000 0.987 423 D CA 0.994 54.992 54.000 -0.003 0.000 0.829 423 D CB -0.135 40.663 40.800 -0.004 0.000 0.961 423 D HN 0.251 nan 8.370 nan 0.000 0.460 424 I N 0.365 120.936 120.570 0.001 0.000 2.286 424 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 424 I C 2.477 178.598 176.117 0.006 0.000 1.104 424 I CA 0.551 61.855 61.300 0.006 0.000 1.397 424 I CB -0.179 37.823 38.000 0.002 0.000 1.072 424 I HN -0.146 nan 8.210 nan 0.000 0.417 425 V N 0.407 120.322 119.914 0.001 0.000 2.379 425 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 425 V C 1.401 177.497 176.094 0.003 0.000 1.044 425 V CA 1.773 64.073 62.300 0.000 0.000 1.036 425 V CB -0.903 30.918 31.823 -0.004 0.000 0.664 425 V HN 0.474 nan 8.190 nan 0.000 0.453 426 N N -0.408 118.293 118.700 0.001 0.000 2.485 426 N HA 0.018 4.758 4.740 -0.000 0.000 0.199 426 N C 1.141 176.654 175.510 0.006 0.000 1.236 426 N CA 0.336 53.387 53.050 0.001 0.000 0.852 426 N CB 0.217 38.703 38.487 -0.003 0.000 1.018 426 N HN 0.324 nan 8.380 nan 0.000 0.457 427 S N -0.953 114.754 115.700 0.012 0.000 3.186 427 S HA 0.057 4.527 4.470 -0.000 0.000 0.253 427 S C 1.811 176.427 174.600 0.027 0.000 1.071 427 S CA -0.201 58.012 58.200 0.021 0.000 0.796 427 S CB 0.287 63.502 63.200 0.025 0.000 0.818 427 S HN 0.010 nan 8.310 nan 0.000 0.498 428 V N 2.190 122.120 119.914 0.026 0.000 2.759 428 V HA -0.077 4.043 4.120 -0.000 0.000 0.256 428 V C 2.424 178.531 176.094 0.023 0.000 1.080 428 V CA 1.849 64.167 62.300 0.031 0.000 1.101 428 V CB -0.626 31.214 31.823 0.029 0.000 0.698 428 V HN 0.520 nan 8.190 nan 0.000 0.477 429 S N 0.263 115.973 115.700 0.016 0.000 2.338 429 S HA -0.211 4.259 4.470 -0.000 0.000 0.218 429 S C 2.100 176.708 174.600 0.014 0.000 1.032 429 S CA 1.639 59.846 58.200 0.011 0.000 0.999 429 S CB -0.164 63.039 63.200 0.006 0.000 0.905 429 S HN 0.603 nan 8.310 nan 0.000 0.439 430 K N 0.814 121.223 120.400 0.015 0.000 2.103 430 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 430 K C 2.169 178.782 176.600 0.023 0.000 1.048 430 K CA 1.374 57.671 56.287 0.016 0.000 0.930 430 K CB -0.451 32.059 32.500 0.015 0.000 0.716 430 K HN 0.382 nan 8.250 nan 0.000 0.444 431 L N 1.282 122.522 121.223 0.028 0.000 2.083 431 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 431 L C 2.440 179.328 176.870 0.030 0.000 1.083 431 L CA 1.560 56.420 54.840 0.034 0.000 0.752 431 L CB -0.199 41.886 42.059 0.043 0.000 0.899 431 L HN 0.307 nan 8.230 nan 0.000 0.433 432 E N 0.115 120.331 120.200 0.026 0.000 2.153 432 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 432 E C 1.665 178.276 176.600 0.018 0.000 0.988 432 E CA 0.945 57.358 56.400 0.022 0.000 0.811 432 E CB 0.141 29.851 29.700 0.017 0.000 0.746 432 E HN 0.430 nan 8.360 nan 0.000 0.466 433 K N -0.035 120.375 120.400 0.017 0.000 2.551 433 K HA 0.095 4.415 4.320 -0.000 0.000 0.192 433 K C 0.306 176.916 176.600 0.016 0.000 1.027 433 K CA 0.194 56.489 56.287 0.014 0.000 1.059 433 K CB 0.281 32.788 32.500 0.012 0.000 0.831 433 K HN 0.180 nan 8.250 nan 0.000 0.508 434 I N 0.000 120.582 120.570 0.020 0.000 2.984 434 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 434 I CA 0.000 61.313 61.300 0.021 0.000 1.566 434 I CB 0.000 38.015 38.000 0.025 0.000 1.214 434 I HN 0.000 nan 8.210 nan 0.000 0.494