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 2hrq_1_D DATA FIRST_RESID 4021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 4021 S HA 0.000 nan 4.470 nan 0.000 0.327 4021 S C 0.000 174.682 174.600 0.137 0.000 1.055 4021 S CA 0.000 58.227 58.200 0.045 0.000 1.107 4021 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 4022 S N 3.024 118.845 115.700 0.200 0.000 2.501 4022 S HA 0.835 5.305 4.470 -0.000 0.000 0.301 4022 S C -2.825 171.913 174.600 0.230 0.000 1.096 4022 S CA -1.335 56.968 58.200 0.171 0.000 1.063 4022 S CB 0.584 63.855 63.200 0.118 0.000 1.042 4022 S HN 0.651 nan 8.310 nan 0.000 0.494 4023 P HA 0.158 nan 4.420 nan 0.000 0.263 4023 P C -2.505 174.709 177.300 -0.144 0.000 1.175 4023 P CA -0.670 62.366 63.100 -0.106 0.000 0.761 4023 P CB -0.174 31.471 31.700 -0.091 0.000 0.794 4024 P HA 0.070 nan 4.420 nan 0.000 0.281 4024 P C -0.925 176.404 177.300 0.048 0.000 1.252 4024 P CA 0.180 63.174 63.100 -0.177 0.000 0.778 4024 P CB 0.711 32.183 31.700 -0.380 0.000 0.895 4025 V N 4.944 124.919 119.914 0.102 0.000 2.409 4025 V HA 0.283 4.402 4.120 -0.000 0.000 0.291 4025 V C 0.341 176.474 176.094 0.065 0.000 1.020 4025 V CA -0.647 61.730 62.300 0.128 0.000 0.848 4025 V CB 2.080 33.958 31.823 0.092 0.000 0.990 4025 V HN 0.304 nan 8.190 nan 0.000 0.430 4026 V N 3.322 123.245 119.914 0.015 0.000 2.628 4026 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 4026 V C -0.610 175.405 176.094 -0.132 0.000 1.045 4026 V CA -0.647 61.520 62.300 -0.221 0.000 0.905 4026 V CB 2.246 33.616 31.823 -0.755 0.000 0.997 4026 V HN 0.893 nan 8.190 nan 0.000 0.436 4027 D N 3.045 123.354 120.400 -0.153 0.000 2.359 4027 D HA 0.449 5.089 4.640 -0.000 0.000 0.230 4027 D C 0.200 176.426 176.300 -0.124 0.000 1.118 4027 D CA -0.007 53.939 54.000 -0.091 0.000 0.844 4027 D CB 1.362 42.112 40.800 -0.082 0.000 1.059 4027 D HN 0.761 nan 8.370 nan 0.000 0.493 4028 T N -0.365 114.159 114.554 -0.051 0.000 2.923 4028 T HA 0.289 4.639 4.350 -0.000 0.000 0.281 4028 T C 1.565 176.164 174.700 -0.168 0.000 0.995 4028 T CA -0.705 61.361 62.100 -0.056 0.000 0.985 4028 T CB 1.001 69.991 68.868 0.203 0.000 1.114 4028 T HN 0.032 nan 8.240 nan 0.000 0.548 4029 V N 1.156 120.915 119.914 -0.259 0.000 2.324 4029 V HA -0.176 3.944 4.120 -0.000 0.000 0.250 4029 V C 2.446 178.317 176.094 -0.371 0.000 1.060 4029 V CA 1.826 63.921 62.300 -0.343 0.000 1.042 4029 V CB -1.134 30.405 31.823 -0.473 0.000 0.650 4029 V HN 0.870 nan 8.190 nan 0.000 0.450 4030 H N -0.227 118.676 119.070 -0.278 0.000 2.548 4030 H HA 0.438 4.994 4.556 -0.000 0.000 0.265 4030 H C 0.980 175.567 175.328 -1.235 0.000 0.969 4030 H CA 0.894 56.601 56.048 -0.568 0.000 1.155 4030 H CB 0.329 29.835 29.762 -0.426 0.000 1.394 4030 H HN 0.552 nan 8.280 nan 0.000 0.570 4031 G N 0.007 108.302 108.800 -0.842 0.000 2.368 4031 G HA2 0.031 3.991 3.960 -0.000 0.000 0.302 4031 G HA3 0.031 3.991 3.960 -0.000 0.000 0.302 4031 G C -1.349 173.476 174.900 -0.125 0.000 1.329 4031 G CA -1.121 43.442 45.100 -0.895 0.000 0.935 4031 G HN 0.036 nan 8.290 nan 0.000 0.590 4032 K N -0.546 119.973 120.400 0.199 0.000 2.144 4032 K HA 0.651 4.971 4.320 -0.000 0.000 0.270 4032 K C 0.150 177.088 176.600 0.564 0.000 1.005 4032 K CA -0.561 55.920 56.287 0.323 0.000 0.932 4032 K CB 1.954 34.585 32.500 0.217 0.000 1.021 4032 K HN 1.026 nan 8.250 nan 0.000 0.462 4033 V N 0.139 120.288 119.914 0.392 0.000 2.789 4033 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 4033 V C -1.059 175.238 176.094 0.339 0.000 1.073 4033 V CA -1.140 61.389 62.300 0.382 0.000 0.921 4033 V CB 1.821 33.915 31.823 0.452 0.000 1.009 4033 V HN 0.587 nan 8.190 nan 0.000 0.426 4034 L N 4.093 125.479 121.223 0.272 0.000 2.305 4034 L HA 0.917 5.257 4.340 -0.000 0.000 0.284 4034 L C 0.271 177.197 176.870 0.093 0.000 1.013 4034 L CA 0.594 55.541 54.840 0.178 0.000 0.819 4034 L CB 0.935 43.039 42.059 0.076 0.000 1.227 4034 L HN 1.067 nan 8.230 nan 0.000 0.417 4035 G N 5.028 113.746 108.800 -0.137 0.000 2.990 4035 G HA2 0.619 4.579 3.960 -0.000 0.000 0.208 4035 G HA3 0.619 4.579 3.960 -0.000 0.000 0.208 4035 G C -1.188 173.362 174.900 -0.582 0.000 1.334 4035 G CA -0.529 44.164 45.100 -0.678 0.000 1.024 4035 G HN 0.730 nan 8.290 nan 0.000 0.574 4036 K N -1.342 118.658 120.400 -0.667 0.000 2.512 4036 K HA 0.611 4.931 4.320 -0.000 0.000 0.263 4036 K C -1.688 174.642 176.600 -0.450 0.000 0.966 4036 K CA -0.849 55.164 56.287 -0.458 0.000 0.851 4036 K CB 1.954 34.301 32.500 -0.255 0.000 1.395 4036 K HN 0.302 nan 8.250 nan 0.000 0.440 4037 F N 0.769 120.654 119.950 -0.109 0.000 2.377 4037 F HA 0.515 5.042 4.527 -0.000 0.000 0.328 4037 F C -0.273 175.511 175.800 -0.027 0.000 1.094 4037 F CA -0.777 57.188 58.000 -0.057 0.000 1.093 4037 F CB 2.106 41.092 39.000 -0.022 0.000 1.214 4037 F HN 0.086 nan 8.300 nan 0.000 0.518 4038 V N 1.960 122.018 119.914 0.239 0.000 2.653 4038 V HA 0.194 4.314 4.120 -0.000 0.000 0.298 4038 V C -0.704 175.469 176.094 0.130 0.000 1.097 4038 V CA -0.882 61.506 62.300 0.147 0.000 0.908 4038 V CB 1.654 33.550 31.823 0.121 0.000 1.024 4038 V HN 0.761 nan 8.190 nan 0.000 0.435 4039 S N 4.422 120.183 115.700 0.102 0.000 2.586 4039 S HA 0.755 5.225 4.470 -0.000 0.000 0.274 4039 S C -0.513 174.149 174.600 0.103 0.000 1.281 4039 S CA -0.356 57.898 58.200 0.090 0.000 1.035 4039 S CB 1.510 64.751 63.200 0.069 0.000 0.962 4039 S HN 0.557 nan 8.310 nan 0.000 0.512 4040 L N 2.211 123.511 121.223 0.128 0.000 2.365 4040 L HA 0.421 4.761 4.340 -0.000 0.000 0.273 4040 L C -0.503 176.515 176.870 0.248 0.000 1.000 4040 L CA -0.397 54.542 54.840 0.164 0.000 0.819 4040 L CB 1.468 43.582 42.059 0.092 0.000 1.284 4040 L HN 0.646 nan 8.230 nan 0.000 0.418 4041 E N 3.879 124.206 120.200 0.212 0.000 2.585 4041 E HA 0.333 4.683 4.350 -0.000 0.000 0.252 4041 E C 0.756 177.450 176.600 0.157 0.000 0.981 4041 E CA 0.912 57.411 56.400 0.167 0.000 0.943 4041 E CB 0.035 29.829 29.700 0.158 0.000 0.923 4041 E HN 0.935 nan 8.360 nan 0.000 0.486 4042 G N 2.894 111.686 108.800 -0.013 0.000 2.184 4042 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.206 4042 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.206 4042 G C -0.329 174.065 174.900 -0.842 0.000 0.995 4042 G CA -0.613 44.264 45.100 -0.372 0.000 0.651 4042 G HN 0.403 nan 8.290 nan 0.000 0.511 4043 F N -0.404 119.506 119.950 -0.066 0.000 2.561 4043 F HA 0.732 5.259 4.527 -0.000 0.000 0.313 4043 F C 0.994 176.768 175.800 -0.043 0.000 1.126 4043 F CA -0.271 57.689 58.000 -0.068 0.000 0.918 4043 F CB 1.651 40.596 39.000 -0.091 0.000 1.199 4043 F HN 0.089 nan 8.300 nan 0.000 0.444 4044 A N 1.322 124.193 122.820 0.084 0.000 1.930 4044 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 4044 A C 1.090 178.695 177.584 0.035 0.000 1.176 4044 A CA 0.808 52.867 52.037 0.036 0.000 0.632 4044 A CB -0.345 18.657 19.000 0.004 0.000 0.819 4044 A HN 0.667 nan 8.150 nan 0.000 0.445 4045 Q N 1.135 120.975 119.800 0.066 0.000 2.296 4045 Q HA 0.353 4.693 4.340 -0.000 0.000 0.263 4045 Q C -2.684 173.335 176.000 0.033 0.000 1.026 4045 Q CA -2.200 53.621 55.803 0.029 0.000 0.912 4045 Q CB 0.283 29.054 28.738 0.054 0.000 1.198 4045 Q HN 0.200 nan 8.270 nan 0.000 0.407 4046 P HA 0.003 nan 4.420 nan 0.000 0.269 4046 P C -1.118 176.273 177.300 0.153 0.000 1.215 4046 P CA -0.244 62.864 63.100 0.014 0.000 0.780 4046 P CB 0.720 32.309 31.700 -0.184 0.000 0.898 4047 V N 1.863 121.895 119.914 0.197 0.000 2.509 4047 V HA 0.488 4.608 4.120 -0.000 0.000 0.284 4047 V C 0.445 176.715 176.094 0.293 0.000 1.047 4047 V CA -0.582 61.850 62.300 0.220 0.000 0.952 4047 V CB 1.036 32.955 31.823 0.159 0.000 0.988 4047 V HN 0.631 nan 8.190 nan 0.000 0.469 4048 A N 6.512 129.495 122.820 0.270 0.000 2.276 4048 A HA 0.746 5.066 4.320 -0.000 0.000 0.300 4048 A C -0.446 177.099 177.584 -0.064 0.000 1.235 4048 A CA -0.344 51.713 52.037 0.034 0.000 0.867 4048 A CB -0.019 19.079 19.000 0.164 0.000 1.137 4048 A HN 0.760 nan 8.150 nan 0.000 0.527 4049 I N 2.381 122.729 120.570 -0.369 0.000 2.404 4049 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 4049 I C -1.241 174.458 176.117 -0.697 0.000 0.992 4049 I CA -0.301 60.761 61.300 -0.398 0.000 1.149 4049 I CB 1.503 39.344 38.000 -0.265 0.000 1.315 4049 I HN 0.536 nan 8.210 nan 0.000 0.446 4050 F N 6.445 126.255 119.950 -0.232 0.000 2.507 4050 F HA 0.550 5.077 4.527 -0.000 0.000 0.328 4050 F C -0.371 175.289 175.800 -0.233 0.000 1.136 4050 F CA -0.566 57.347 58.000 -0.145 0.000 0.930 4050 F CB 1.391 40.407 39.000 0.027 0.000 1.166 4050 F HN 0.105 nan 8.300 nan 0.000 0.436 4051 L N 2.457 123.614 121.223 -0.110 0.000 2.322 4051 L HA 0.714 5.054 4.340 -0.000 0.000 0.281 4051 L C 0.594 177.400 176.870 -0.107 0.000 1.014 4051 L CA -1.063 53.677 54.840 -0.167 0.000 0.815 4051 L CB 1.775 43.611 42.059 -0.373 0.000 1.247 4051 L HN 0.882 nan 8.230 nan 0.000 0.421 4052 G N 3.735 112.499 108.800 -0.060 0.000 2.353 4052 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.294 4052 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.294 4052 G C -0.395 174.562 174.900 0.094 0.000 1.077 4052 G CA -0.349 44.712 45.100 -0.065 0.000 1.098 4052 G HN 0.481 nan 8.290 nan 0.000 0.511 4053 I N 2.399 123.031 120.570 0.104 0.000 2.315 4053 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 4053 I C -1.516 174.586 176.117 -0.025 0.000 1.006 4053 I CA -2.399 58.916 61.300 0.025 0.000 1.265 4053 I CB 1.664 39.603 38.000 -0.102 0.000 1.387 4053 I HN 0.060 nan 8.210 nan 0.000 0.475 4054 P HA 0.031 nan 4.420 nan 0.000 0.276 4054 P C -0.258 176.870 177.300 -0.286 0.000 1.235 4054 P CA 0.019 62.878 63.100 -0.401 0.000 0.772 4054 P CB 0.500 32.006 31.700 -0.323 0.000 0.871 4055 F N 1.290 121.008 119.950 -0.387 0.000 2.706 4055 F HA 0.744 5.271 4.527 -0.000 0.000 0.313 4055 F C -0.037 175.740 175.800 -0.038 0.000 1.096 4055 F CA -1.060 56.761 58.000 -0.298 0.000 1.219 4055 F CB 0.097 38.838 39.000 -0.432 0.000 1.051 4055 F HN 0.385 nan 8.300 nan 0.000 0.568 4056 A N 0.551 123.120 122.820 -0.420 0.000 2.610 4056 A HA 0.510 4.830 4.320 -0.000 0.000 0.291 4056 A C -1.316 176.090 177.584 -0.297 0.000 1.086 4056 A CA -1.122 50.758 52.037 -0.261 0.000 0.677 4056 A CB 0.930 19.731 19.000 -0.332 0.000 1.278 4056 A HN 0.190 nan 8.150 nan 0.000 0.414 4057 K N 0.871 121.166 120.400 -0.175 0.000 2.322 4057 K HA 0.416 4.736 4.320 -0.000 0.000 0.283 4057 K C -2.448 174.032 176.600 -0.199 0.000 1.042 4057 K CA -1.546 54.645 56.287 -0.159 0.000 0.958 4057 K CB 0.340 32.784 32.500 -0.093 0.000 0.984 4057 K HN 0.324 nan 8.250 nan 0.000 0.473 4058 P HA -0.043 nan 4.420 nan 0.000 0.260 4058 P C -2.389 174.820 177.300 -0.151 0.000 1.185 4058 P CA -0.760 62.226 63.100 -0.191 0.000 0.763 4058 P CB 0.191 31.810 31.700 -0.134 0.000 0.776 4059 P HA 0.045 nan 4.420 nan 0.000 0.232 4059 P C -0.533 176.682 177.300 -0.141 0.000 1.738 4059 P CA 0.418 63.432 63.100 -0.145 0.000 0.948 4059 P CB -0.006 31.609 31.700 -0.142 0.000 1.943 4060 L N -0.403 120.748 121.223 -0.119 0.000 2.400 4060 L HA 0.552 4.892 4.340 -0.000 0.000 0.264 4060 L C 1.790 178.598 176.870 -0.103 0.000 1.061 4060 L CA -0.263 54.515 54.840 -0.103 0.000 0.799 4060 L CB 0.131 42.141 42.059 -0.081 0.000 1.240 4060 L HN 0.266 nan 8.230 nan 0.000 0.461 4061 G N 1.266 110.010 108.800 -0.093 0.000 2.685 4061 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.329 4061 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.329 4061 G C -1.237 173.602 174.900 -0.102 0.000 1.271 4061 G CA 0.427 45.476 45.100 -0.086 0.000 1.003 4061 G HN 0.635 nan 8.290 nan 0.000 0.549 4062 P HA 0.045 nan 4.420 nan 0.000 0.228 4062 P C 1.908 179.155 177.300 -0.088 0.000 1.151 4062 P CA 1.193 64.260 63.100 -0.056 0.000 0.770 4062 P CB -0.093 31.593 31.700 -0.023 0.000 0.786 4063 L N -1.176 119.977 121.223 -0.116 0.000 2.554 4063 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 4063 L C 1.743 178.468 176.870 -0.241 0.000 1.137 4063 L CA -0.104 54.648 54.840 -0.147 0.000 0.863 4063 L CB -0.394 41.592 42.059 -0.122 0.000 0.985 4063 L HN -0.043 nan 8.230 nan 0.000 0.451 4064 R N 0.587 120.909 120.500 -0.297 0.000 2.590 4064 R HA -0.023 4.317 4.340 -0.000 0.000 0.274 4064 R C -0.181 175.757 176.300 -0.603 0.000 1.061 4064 R CA -0.121 55.654 56.100 -0.541 0.000 1.081 4064 R CB 0.258 30.147 30.300 -0.685 0.000 0.984 4064 R HN 0.048 nan 8.270 nan 0.000 0.448 4065 F N 0.053 119.665 119.950 -0.563 0.000 3.080 4065 F HA -0.261 4.266 4.527 -0.000 0.000 0.292 4065 F C -0.010 174.801 175.800 -1.648 0.000 0.891 4065 F CA 1.374 58.693 58.000 -1.135 0.000 1.086 4065 F CB -2.627 36.146 39.000 -0.379 0.000 1.095 4065 F HN 0.645 nan 8.300 nan 0.000 0.633 4066 T N -3.493 110.342 114.554 -1.198 0.000 2.900 4066 T HA 0.760 5.110 4.350 -0.000 0.000 0.303 4066 T C -2.884 171.619 174.700 -0.329 0.000 1.142 4066 T CA -2.428 59.205 62.100 -0.778 0.000 1.007 4066 T CB 3.298 71.989 68.868 -0.295 0.000 1.156 4066 T HN -0.242 nan 8.240 nan 0.000 0.490 4067 P HA 0.182 nan 4.420 nan 0.000 0.269 4067 P C -2.366 175.001 177.300 0.112 0.000 1.205 4067 P CA -0.699 62.549 63.100 0.247 0.000 0.780 4067 P CB -0.356 31.484 31.700 0.233 0.000 0.858 4068 P HA 0.124 nan 4.420 nan 0.000 0.275 4068 P C -0.725 176.622 177.300 0.078 0.000 1.227 4068 P CA 0.057 63.210 63.100 0.088 0.000 0.781 4068 P CB 0.855 32.645 31.700 0.150 0.000 0.906 4069 Q N 2.716 122.535 119.800 0.031 0.000 2.215 4069 Q HA 0.435 4.775 4.340 -0.000 0.000 0.256 4069 Q C -2.251 173.776 176.000 0.044 0.000 0.972 4069 Q CA -2.107 53.718 55.803 0.037 0.000 0.889 4069 Q CB 0.760 29.501 28.738 0.005 0.000 1.281 4069 Q HN 0.349 nan 8.270 nan 0.000 0.456 4070 P HA -0.001 nan 4.420 nan 0.000 0.268 4070 P C -1.339 175.949 177.300 -0.021 0.000 1.205 4070 P CA 0.131 63.289 63.100 0.096 0.000 0.771 4070 P CB 0.579 32.359 31.700 0.134 0.000 0.858 4071 A N 3.123 125.896 122.820 -0.080 0.000 2.407 4071 A HA 0.135 4.455 4.320 -0.000 0.000 0.248 4071 A C 0.432 177.826 177.584 -0.317 0.000 1.082 4071 A CA -0.264 51.668 52.037 -0.175 0.000 0.785 4071 A CB -0.110 18.834 19.000 -0.093 0.000 1.020 4071 A HN 0.449 nan 8.150 nan 0.000 0.489 4072 E N 2.403 122.523 120.200 -0.133 0.000 2.392 4072 E HA 0.221 4.571 4.350 -0.000 0.000 0.264 4072 E C -2.134 174.441 176.600 -0.042 0.000 1.024 4072 E CA -1.382 54.968 56.400 -0.083 0.000 0.903 4072 E CB 0.122 29.823 29.700 0.002 0.000 0.963 4072 E HN 0.484 nan 8.360 nan 0.000 0.432 4073 P HA 0.166 nan 4.420 nan 0.000 0.274 4073 P C -0.794 176.528 177.300 0.037 0.000 1.231 4073 P CA -0.363 62.672 63.100 -0.108 0.000 0.790 4073 P CB 0.356 32.005 31.700 -0.085 0.000 0.951 4074 W N 0.701 122.017 121.300 0.026 0.000 2.736 4074 W HA 0.697 5.357 4.660 -0.000 0.000 0.355 4074 W C -0.955 175.531 176.519 -0.055 0.000 1.102 4074 W CA -0.878 56.467 57.345 0.000 0.000 1.164 4074 W CB 0.230 29.715 29.460 0.041 0.000 1.422 4074 W HN 0.140 nan 8.180 nan 0.000 0.572 4075 S N 1.336 117.087 115.700 0.085 0.000 2.651 4075 S HA 0.723 5.193 4.470 -0.000 0.000 0.291 4075 S C -0.492 174.030 174.600 -0.129 0.000 1.141 4075 S CA -0.375 57.638 58.200 -0.313 0.000 1.027 4075 S CB 0.443 63.189 63.200 -0.758 0.000 1.043 4075 S HN 0.612 nan 8.310 nan 0.000 0.530 4076 F N -1.288 118.763 119.950 0.168 0.000 2.183 4076 F HA -0.255 4.272 4.527 -0.000 0.000 0.318 4076 F C -0.114 175.837 175.800 0.251 0.000 0.132 4076 F CA -0.216 57.884 58.000 0.166 0.000 0.912 4076 F CB -0.991 38.087 39.000 0.130 0.000 4.135 4076 F HN 0.320 nan 8.300 nan 0.000 0.137 4077 V N 0.921 121.094 119.914 0.431 0.000 2.427 4077 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 4077 V C 0.034 176.265 176.094 0.228 0.000 1.034 4077 V CA -0.763 61.728 62.300 0.319 0.000 0.893 4077 V CB 1.455 33.403 31.823 0.208 0.000 0.982 4077 V HN 0.486 nan 8.190 nan 0.000 0.452 4078 K N 3.561 124.069 120.400 0.180 0.000 2.201 4078 K HA 0.318 4.638 4.320 -0.000 0.000 0.278 4078 K C -0.229 176.359 176.600 -0.020 0.000 1.027 4078 K CA -0.579 55.649 56.287 -0.099 0.000 0.909 4078 K CB 0.581 32.734 32.500 -0.578 0.000 1.062 4078 K HN 0.625 nan 8.250 nan 0.000 0.465 4079 N N 2.538 121.205 118.700 -0.056 0.000 2.415 4079 N HA 0.126 4.866 4.740 -0.000 0.000 0.250 4079 N C -0.924 174.546 175.510 -0.067 0.000 1.127 4079 N CA 0.043 53.067 53.050 -0.043 0.000 0.945 4079 N CB 1.111 39.563 38.487 -0.058 0.000 1.196 4079 N HN 0.582 nan 8.380 nan 0.000 0.499 4080 A N 2.290 125.101 122.820 -0.014 0.000 3.245 4080 A HA 0.205 4.525 4.320 -0.000 0.000 0.282 4080 A C 0.876 178.398 177.584 -0.103 0.000 1.417 4080 A CA -0.458 51.567 52.037 -0.020 0.000 1.149 4080 A CB -0.623 18.461 19.000 0.141 0.000 1.155 4080 A HN 0.579 nan 8.150 nan 0.000 0.602 4081 T N -2.789 111.672 114.554 -0.155 0.000 3.091 4081 T HA 0.333 4.682 4.350 -0.000 0.000 0.277 4081 T C 0.460 175.000 174.700 -0.266 0.000 0.996 4081 T CA 0.421 62.393 62.100 -0.214 0.000 0.897 4081 T CB -0.387 68.380 68.868 -0.169 0.000 1.109 4081 T HN 0.731 nan 8.240 nan 0.000 0.534 4082 S N 0.288 115.826 115.700 -0.270 0.000 2.570 4082 S HA 0.697 5.167 4.470 -0.000 0.000 0.286 4082 S C -1.116 173.293 174.600 -0.318 0.000 1.099 4082 S CA -0.965 57.065 58.200 -0.282 0.000 0.913 4082 S CB 0.853 63.958 63.200 -0.159 0.000 1.085 4082 S HN 0.176 nan 8.310 nan 0.000 0.480 4083 Y N 2.831 123.067 120.300 -0.105 0.000 2.526 4083 Y HA 0.311 4.861 4.550 -0.000 0.000 0.330 4083 Y C -1.403 174.390 175.900 -0.178 0.000 1.156 4083 Y CA -1.078 56.955 58.100 -0.113 0.000 1.419 4083 Y CB 0.094 38.506 38.460 -0.079 0.000 1.250 4083 Y HN 0.539 nan 8.280 nan 0.000 0.540 4084 P HA 0.202 nan 4.420 nan 0.000 0.274 4084 P C -2.663 174.527 177.300 -0.183 0.000 1.256 4084 P CA -1.514 61.397 63.100 -0.316 0.000 0.795 4084 P CB 0.568 31.963 31.700 -0.508 0.000 1.038 4085 P HA 0.243 nan 4.420 nan 0.000 0.274 4085 P C -0.259 176.982 177.300 -0.099 0.000 1.256 4085 P CA -0.115 62.902 63.100 -0.138 0.000 0.795 4085 P CB 0.218 31.833 31.700 -0.140 0.000 1.038 4086 M N -0.856 118.682 119.600 -0.103 0.000 2.472 4086 M HA 0.501 4.981 4.480 -0.000 0.000 0.331 4086 M C -0.845 175.374 176.300 -0.136 0.000 1.170 4086 M CA -0.765 54.473 55.300 -0.102 0.000 1.009 4086 M CB 0.839 33.368 32.600 -0.119 0.000 1.672 4086 M HN 0.099 nan 8.290 nan 0.000 0.453 4087 c N 2.023 120.539 118.600 -0.139 0.000 2.597 4087 c HA 0.106 4.676 4.570 -0.000 0.000 0.412 4087 c C 0.993 174.907 174.090 -0.294 0.000 1.348 4087 c CA -0.111 56.084 56.329 -0.223 0.000 1.769 4087 c CB -0.569 41.832 42.510 -0.181 0.000 2.641 4087 c HN 0.884 nan 8.230 nan 0.000 0.612 4088 T N 4.516 118.751 114.554 -0.532 0.000 2.867 4088 T HA 0.245 4.595 4.350 -0.000 0.000 0.290 4088 T C 0.029 174.545 174.700 -0.307 0.000 1.025 4088 T CA 0.541 62.282 62.100 -0.598 0.000 1.146 4088 T CB -0.162 67.892 68.868 -1.357 0.000 1.024 4088 T HN 0.907 nan 8.240 nan 0.000 0.519 4089 Q N 0.687 120.427 119.800 -0.099 0.000 2.907 4089 Q HA 0.289 4.629 4.340 -0.000 0.000 0.310 4089 Q C -1.731 174.305 176.000 0.060 0.000 0.861 4089 Q CA -1.146 54.686 55.803 0.049 0.000 0.769 4089 Q CB 0.740 29.488 28.738 0.015 0.000 1.465 4089 Q HN 0.372 nan 8.270 nan 0.000 0.449 4090 D N 2.295 122.749 120.400 0.090 0.000 2.368 4090 D HA 0.060 4.700 4.640 -0.000 0.000 0.268 4090 D C -1.244 175.069 176.300 0.023 0.000 1.298 4090 D CA -1.472 52.570 54.000 0.071 0.000 0.938 4090 D CB 1.063 41.912 40.800 0.081 0.000 1.101 4090 D HN 0.302 nan 8.370 nan 0.000 0.509 4091 P HA -0.197 nan 4.420 nan 0.000 0.216 4091 P C 0.904 178.191 177.300 -0.020 0.000 1.150 4091 P CA 1.325 64.415 63.100 -0.017 0.000 0.837 4091 P CB 0.515 32.205 31.700 -0.016 0.000 0.786 4092 K N 0.420 120.815 120.400 -0.008 0.000 1.967 4092 K HA -0.030 4.290 4.320 -0.000 0.000 0.212 4092 K C 2.561 179.148 176.600 -0.022 0.000 1.044 4092 K CA 1.459 57.737 56.287 -0.014 0.000 0.942 4092 K CB -1.115 31.382 32.500 -0.004 0.000 0.726 4092 K HN -0.044 nan 8.250 nan 0.000 0.440 4093 A N 1.339 124.152 122.820 -0.011 0.000 1.927 4093 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 4093 A C 2.453 180.012 177.584 -0.043 0.000 1.185 4093 A CA 2.296 54.321 52.037 -0.021 0.000 0.639 4093 A CB -1.598 17.406 19.000 0.006 0.000 0.820 4093 A HN 0.500 nan 8.150 nan 0.000 0.451 4094 G N -1.424 107.355 108.800 -0.035 0.000 2.408 4094 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 4094 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 4094 G C 1.615 176.465 174.900 -0.084 0.000 1.150 4094 G CA 1.073 46.138 45.100 -0.058 0.000 0.776 4094 G HN 0.651 nan 8.290 nan 0.000 0.542 4095 Q N -0.680 119.077 119.800 -0.072 0.000 2.172 4095 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 4095 Q C 2.374 178.325 176.000 -0.083 0.000 0.964 4095 Q CA 0.739 56.494 55.803 -0.080 0.000 0.855 4095 Q CB -0.157 28.544 28.738 -0.063 0.000 0.918 4095 Q HN 0.392 nan 8.270 nan 0.000 0.444 4096 L N 0.507 121.685 121.223 -0.075 0.000 2.005 4096 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 4096 L C 2.108 178.902 176.870 -0.127 0.000 1.072 4096 L CA 1.552 56.347 54.840 -0.075 0.000 0.744 4096 L CB -0.866 41.155 42.059 -0.063 0.000 0.895 4096 L HN 0.380 nan 8.230 nan 0.000 0.433 4097 L N -0.990 120.126 121.223 -0.179 0.000 2.079 4097 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 4097 L C 2.661 179.333 176.870 -0.330 0.000 1.081 4097 L CA 2.088 56.726 54.840 -0.337 0.000 0.752 4097 L CB -0.898 40.984 42.059 -0.295 0.000 0.896 4097 L HN 0.466 nan 8.230 nan 0.000 0.433 4098 S N -0.848 114.736 115.700 -0.193 0.000 2.368 4098 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 4098 S C 1.840 176.356 174.600 -0.140 0.000 1.030 4098 S CA 1.524 59.621 58.200 -0.172 0.000 0.999 4098 S CB -0.267 62.833 63.200 -0.167 0.000 0.844 4098 S HN 0.665 nan 8.310 nan 0.000 0.459 4099 E N 0.513 120.654 120.200 -0.098 0.000 2.106 4099 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 4099 E C 1.913 178.538 176.600 0.041 0.000 0.984 4099 E CA 0.986 57.363 56.400 -0.039 0.000 0.806 4099 E CB -0.210 29.477 29.700 -0.022 0.000 0.750 4099 E HN 0.490 nan 8.360 nan 0.000 0.458 4100 L N -0.105 121.138 121.223 0.034 0.000 2.478 4100 L HA -0.031 4.309 4.340 -0.000 0.000 0.223 4100 L C 1.473 178.617 176.870 0.455 0.000 1.140 4100 L CA 0.291 55.244 54.840 0.189 0.000 0.842 4100 L CB 0.057 42.163 42.059 0.078 0.000 0.953 4100 L HN 0.110 nan 8.230 nan 0.000 0.452 4101 F N -1.349 118.593 119.950 -0.014 0.000 2.711 4101 F HA 0.162 4.689 4.527 -0.000 0.000 0.296 4101 F C 1.648 177.155 175.800 -0.488 0.000 1.096 4101 F CA -0.494 57.382 58.000 -0.206 0.000 1.280 4101 F CB -0.464 38.430 39.000 -0.177 0.000 1.060 4101 F HN -0.229 nan 8.300 nan 0.000 0.608 4102 T N 2.581 116.994 114.554 -0.235 0.000 2.946 4102 T HA -0.057 4.292 4.350 -0.000 0.000 0.312 4102 T C 1.217 175.732 174.700 -0.309 0.000 1.066 4102 T CA 0.161 62.021 62.100 -0.399 0.000 1.138 4102 T CB 0.249 68.949 68.868 -0.281 0.000 1.014 4102 T HN 0.363 nan 8.240 nan 0.000 0.544 4103 N N 3.998 122.467 118.700 -0.385 0.000 2.230 4103 N HA 0.044 4.783 4.740 -0.000 0.000 0.202 4103 N C 0.233 175.630 175.510 -0.189 0.000 1.119 4103 N CA -0.264 52.620 53.050 -0.277 0.000 0.851 4103 N CB 0.187 38.500 38.487 -0.291 0.000 0.990 4103 N HN 0.528 nan 8.380 nan 0.000 0.497 4104 R N 0.644 121.043 120.500 -0.169 0.000 2.546 4104 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 4104 R C 1.065 177.318 176.300 -0.078 0.000 1.086 4104 R CA -0.630 55.406 56.100 -0.107 0.000 1.160 4104 R CB 1.328 31.566 30.300 -0.103 0.000 1.138 4104 R HN -0.084 nan 8.270 nan 0.000 0.567 4105 K N 1.206 121.580 120.400 -0.043 0.000 1.973 4105 K HA -0.121 4.199 4.320 -0.000 0.000 0.212 4105 K C -0.058 176.531 176.600 -0.018 0.000 1.047 4105 K CA 1.492 57.768 56.287 -0.018 0.000 0.937 4105 K CB 0.053 32.555 32.500 0.003 0.000 0.721 4105 K HN 0.506 nan 8.250 nan 0.000 0.440 4106 E N 1.612 121.796 120.200 -0.026 0.000 2.175 4106 E HA 0.091 4.440 4.350 -0.000 0.000 0.278 4106 E C -0.669 175.892 176.600 -0.066 0.000 0.969 4106 E CA -0.541 55.840 56.400 -0.033 0.000 0.796 4106 E CB 1.151 30.837 29.700 -0.023 0.000 1.104 4106 E HN 0.147 nan 8.360 nan 0.000 0.395 4107 N N 3.487 122.144 118.700 -0.072 0.000 2.518 4107 N HA 0.051 4.791 4.740 -0.000 0.000 0.266 4107 N C -0.719 174.713 175.510 -0.130 0.000 1.196 4107 N CA 0.046 53.029 53.050 -0.113 0.000 0.947 4107 N CB 0.616 39.045 38.487 -0.097 0.000 1.098 4107 N HN 0.466 nan 8.380 nan 0.000 0.450 4108 I N 4.620 125.072 120.570 -0.197 0.000 2.315 4108 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 4108 I C -1.790 174.209 176.117 -0.197 0.000 1.006 4108 I CA -1.890 59.275 61.300 -0.226 0.000 1.265 4108 I CB 1.648 39.395 38.000 -0.422 0.000 1.387 4108 I HN 0.382 nan 8.210 nan 0.000 0.475 4109 P HA 0.281 nan 4.420 nan 0.000 0.276 4109 P C -1.102 176.133 177.300 -0.109 0.000 1.230 4109 P CA -0.069 62.967 63.100 -0.107 0.000 0.776 4109 P CB 1.259 32.916 31.700 -0.073 0.000 0.888 4110 L N 1.664 122.824 121.223 -0.105 0.000 2.354 4110 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 4110 L C 0.499 177.319 176.870 -0.084 0.000 1.008 4110 L CA -1.323 53.459 54.840 -0.096 0.000 0.819 4110 L CB 1.860 43.851 42.059 -0.114 0.000 1.339 4110 L HN 0.197 nan 8.230 nan 0.000 0.420 4111 K N 1.108 121.459 120.400 -0.081 0.000 2.098 4111 K HA 0.614 4.934 4.320 -0.000 0.000 0.257 4111 K C -0.864 175.677 176.600 -0.099 0.000 0.999 4111 K CA -0.181 56.057 56.287 -0.082 0.000 0.924 4111 K CB 0.897 33.348 32.500 -0.081 0.000 1.028 4111 K HN 0.366 nan 8.250 nan 0.000 0.466 4112 L N 0.901 122.063 121.223 -0.102 0.000 2.322 4112 L HA 0.590 4.930 4.340 -0.000 0.000 0.279 4112 L C -0.096 176.684 176.870 -0.150 0.000 1.036 4112 L CA -0.608 54.152 54.840 -0.133 0.000 0.807 4112 L CB 1.774 43.756 42.059 -0.128 0.000 1.226 4112 L HN 0.559 nan 8.230 nan 0.000 0.433 4113 S N 0.301 115.883 115.700 -0.197 0.000 2.565 4113 S HA 0.189 4.659 4.470 -0.000 0.000 0.274 4113 S C 0.042 174.477 174.600 -0.275 0.000 1.144 4113 S CA -0.588 57.493 58.200 -0.197 0.000 0.849 4113 S CB 1.580 64.702 63.200 -0.131 0.000 1.103 4113 S HN 0.760 nan 8.310 nan 0.000 0.455 4114 E N 0.858 120.888 120.200 -0.283 0.000 2.216 4114 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 4114 E C -0.259 176.220 176.600 -0.202 0.000 0.988 4114 E CA 0.396 56.591 56.400 -0.342 0.000 0.834 4114 E CB 0.112 29.651 29.700 -0.269 0.000 0.772 4114 E HN 0.530 nan 8.360 nan 0.000 0.479 4115 D N 0.500 120.828 120.400 -0.120 0.000 2.416 4115 D HA -0.018 4.622 4.640 -0.000 0.000 0.240 4115 D C 0.028 176.384 176.300 0.093 0.000 1.250 4115 D CA -0.149 53.834 54.000 -0.029 0.000 0.967 4115 D CB 0.052 40.859 40.800 0.012 0.000 1.059 4115 D HN 0.172 nan 8.370 nan 0.000 0.512 4116 c N 2.474 121.097 118.600 0.037 0.000 3.865 4116 c HA 0.356 4.926 4.570 -0.000 0.000 0.297 4116 c C 0.718 174.866 174.090 0.097 0.000 1.758 4116 c CA -0.654 55.767 56.329 0.153 0.000 1.778 4116 c CB -1.245 41.256 42.510 -0.015 0.000 3.158 4116 c HN 0.427 nan 8.230 nan 0.000 0.598 4117 L N 2.637 123.673 121.223 -0.311 0.000 2.415 4117 L HA 0.367 4.707 4.340 -0.000 0.000 0.269 4117 L C -0.799 175.422 176.870 -1.081 0.000 1.244 4117 L CA 0.629 55.073 54.840 -0.660 0.000 1.113 4117 L CB -0.734 40.777 42.059 -0.913 0.000 1.352 4117 L HN 0.391 nan 8.230 nan 0.000 0.433 4118 Y N 2.128 122.334 120.300 -0.156 0.000 2.605 4118 Y HA 0.701 5.251 4.550 -0.000 0.000 0.343 4118 Y C -0.199 175.855 175.900 0.256 0.000 1.036 4118 Y CA -1.305 56.784 58.100 -0.018 0.000 1.065 4118 Y CB 1.942 40.363 38.460 -0.065 0.000 1.288 4118 Y HN 0.174 nan 8.280 nan 0.000 0.481 4119 L N -0.256 121.147 121.223 0.301 0.000 2.424 4119 L HA 0.743 5.083 4.340 -0.000 0.000 0.258 4119 L C -1.420 175.498 176.870 0.079 0.000 0.995 4119 L CA -1.204 53.740 54.840 0.173 0.000 0.821 4119 L CB 1.750 43.819 42.059 0.017 0.000 1.383 4119 L HN 0.426 nan 8.230 nan 0.000 0.410 4120 N N 1.686 120.454 118.700 0.114 0.000 2.370 4120 N HA 0.732 5.472 4.740 -0.000 0.000 0.303 4120 N C -1.194 174.323 175.510 0.012 0.000 1.103 4120 N CA -0.245 52.828 53.050 0.039 0.000 0.848 4120 N CB 2.559 41.119 38.487 0.120 0.000 1.235 4120 N HN 0.687 nan 8.380 nan 0.000 0.496 4121 I N 1.719 122.210 120.570 -0.132 0.000 2.498 4121 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 4121 I C -1.240 174.807 176.117 -0.117 0.000 1.032 4121 I CA -0.727 60.547 61.300 -0.044 0.000 1.073 4121 I CB 1.422 39.309 38.000 -0.189 0.000 1.251 4121 I HN 0.347 nan 8.210 nan 0.000 0.426 4122 Y N 3.308 123.735 120.300 0.211 0.000 2.426 4122 Y HA 0.357 4.907 4.550 -0.000 0.000 0.325 4122 Y C 0.283 176.307 175.900 0.206 0.000 0.989 4122 Y CA -0.728 57.494 58.100 0.204 0.000 1.284 4122 Y CB 1.954 40.509 38.460 0.158 0.000 1.104 4122 Y HN 0.366 nan 8.280 nan 0.000 0.481 4123 T N 4.884 119.655 114.554 0.362 0.000 2.779 4123 T HA 0.334 4.684 4.350 -0.000 0.000 0.280 4123 T C -1.978 172.872 174.700 0.250 0.000 0.987 4123 T CA -2.391 59.892 62.100 0.305 0.000 0.966 4123 T CB 1.334 70.415 68.868 0.355 0.000 0.933 4123 T HN 0.353 nan 8.240 nan 0.000 0.442 4124 P HA 0.229 nan 4.420 nan 0.000 0.240 4124 P C 0.496 177.872 177.300 0.126 0.000 1.190 4124 P CA -0.067 63.100 63.100 0.111 0.000 0.781 4124 P CB 0.056 31.772 31.700 0.027 0.000 0.931 4125 A N 1.073 123.983 122.820 0.149 0.000 2.429 4125 A HA 0.093 4.413 4.320 -0.000 0.000 0.242 4125 A C 0.222 177.899 177.584 0.155 0.000 1.088 4125 A CA 0.101 52.219 52.037 0.135 0.000 0.784 4125 A CB -0.421 18.659 19.000 0.134 0.000 1.038 4125 A HN 0.015 nan 8.150 nan 0.000 0.501 4126 D N 1.097 121.569 120.400 0.120 0.000 2.380 4126 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 4126 D C 0.709 177.085 176.300 0.127 0.000 1.154 4126 D CA -0.136 53.936 54.000 0.120 0.000 0.859 4126 D CB 0.310 41.154 40.800 0.073 0.000 1.045 4126 D HN 0.387 nan 8.370 nan 0.000 0.495 4127 L N 2.996 124.324 121.223 0.175 0.000 2.633 4127 L HA -0.055 4.285 4.340 -0.000 0.000 0.235 4127 L C 1.951 178.878 176.870 0.093 0.000 1.163 4127 L CA 0.853 55.774 54.840 0.135 0.000 0.859 4127 L CB -0.508 41.653 42.059 0.169 0.000 0.973 4127 L HN 0.481 nan 8.230 nan 0.000 0.451 4128 T N -4.557 110.053 114.554 0.092 0.000 3.081 4128 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 4128 T C 0.834 175.559 174.700 0.043 0.000 1.100 4128 T CA 0.035 62.173 62.100 0.064 0.000 1.038 4128 T CB 0.383 69.289 68.868 0.063 0.000 0.962 4128 T HN 0.090 nan 8.240 nan 0.000 0.516 4129 K N 0.424 120.851 120.400 0.045 0.000 2.354 4129 K HA 0.521 4.841 4.320 -0.000 0.000 0.238 4129 K C -0.394 176.222 176.600 0.027 0.000 1.068 4129 K CA -0.970 55.337 56.287 0.032 0.000 0.925 4129 K CB 0.934 33.455 32.500 0.035 0.000 1.286 4129 K HN -0.190 nan 8.250 nan 0.000 0.500 4130 K N 2.352 122.764 120.400 0.020 0.000 2.360 4130 K HA 0.225 4.545 4.320 -0.000 0.000 0.235 4130 K C -1.186 175.427 176.600 0.021 0.000 1.077 4130 K CA -0.120 56.176 56.287 0.014 0.000 1.035 4130 K CB -0.294 32.209 32.500 0.005 0.000 1.623 4130 K HN 0.536 nan 8.250 nan 0.000 0.462 4131 N N 2.208 120.928 118.700 0.033 0.000 2.509 4131 N HA 0.222 4.962 4.740 -0.000 0.000 0.287 4131 N C -0.425 175.109 175.510 0.039 0.000 1.121 4131 N CA -0.350 52.724 53.050 0.041 0.000 0.977 4131 N CB 1.352 39.876 38.487 0.061 0.000 1.167 4131 N HN 0.235 nan 8.380 nan 0.000 0.476 4132 R N 1.699 122.219 120.500 0.034 0.000 2.653 4132 R HA 0.375 4.715 4.340 -0.000 0.000 0.269 4132 R C -0.764 175.555 176.300 0.032 0.000 1.603 4132 R CA -0.221 55.896 56.100 0.029 0.000 1.671 4132 R CB -0.028 30.279 30.300 0.011 0.000 1.300 4132 R HN 0.461 nan 8.270 nan 0.000 0.668 4133 L N 2.285 123.539 121.223 0.051 0.000 2.421 4133 L HA 0.561 4.901 4.340 -0.000 0.000 0.263 4133 L C -1.700 175.200 176.870 0.051 0.000 1.122 4133 L CA -2.116 52.755 54.840 0.051 0.000 0.804 4133 L CB 0.725 42.825 42.059 0.069 0.000 1.150 4133 L HN 0.206 nan 8.230 nan 0.000 0.457 4134 P HA 0.063 nan 4.420 nan 0.000 0.271 4134 P C -0.922 176.416 177.300 0.063 0.000 1.216 4134 P CA -0.100 63.021 63.100 0.035 0.000 0.776 4134 P CB 1.068 32.773 31.700 0.008 0.000 0.881 4135 V N 4.743 124.707 119.914 0.084 0.000 2.435 4135 V HA 0.400 4.520 4.120 -0.000 0.000 0.290 4135 V C 0.606 176.772 176.094 0.119 0.000 1.030 4135 V CA -0.421 61.950 62.300 0.119 0.000 0.881 4135 V CB 1.237 33.146 31.823 0.143 0.000 0.983 4135 V HN 0.496 nan 8.190 nan 0.000 0.445 4136 M N 4.547 124.238 119.600 0.152 0.000 2.085 4136 M HA 0.468 4.948 4.480 -0.000 0.000 0.309 4136 M C -1.140 175.428 176.300 0.447 0.000 0.947 4136 M CA -0.570 54.836 55.300 0.176 0.000 0.918 4136 M CB 1.986 34.561 32.600 -0.041 0.000 1.504 4136 M HN 0.364 nan 8.290 nan 0.000 0.420 4137 V N 3.716 123.909 119.914 0.466 0.000 2.348 4137 V HA 0.238 4.358 4.120 -0.000 0.000 0.270 4137 V C -0.561 175.828 176.094 0.492 0.000 1.037 4137 V CA -0.498 62.056 62.300 0.422 0.000 0.872 4137 V CB 0.833 32.786 31.823 0.216 0.000 1.002 4137 V HN 0.832 nan 8.190 nan 0.000 0.464 4138 W N 7.232 128.623 121.300 0.152 0.000 2.322 4138 W HA 0.553 5.212 4.660 -0.000 0.000 0.307 4138 W C -1.101 175.317 176.519 -0.169 0.000 1.220 4138 W CA -0.790 56.385 57.345 -0.283 0.000 1.210 4138 W CB 1.125 30.414 29.460 -0.284 0.000 1.223 4138 W HN 0.428 nan 8.180 nan 0.000 0.511 4139 I N 8.257 128.234 120.570 -0.988 0.000 2.371 4139 I HA 0.042 4.212 4.170 -0.000 0.000 0.282 4139 I C 1.142 176.536 176.117 -1.205 0.000 1.031 4139 I CA -0.748 60.073 61.300 -0.798 0.000 1.180 4139 I CB 0.627 38.283 38.000 -0.573 0.000 1.336 4139 I HN 0.424 nan 8.210 nan 0.000 0.467 4140 H N 4.851 123.477 119.070 -0.740 0.000 2.767 4140 H HA 0.377 4.933 4.556 -0.000 0.000 0.380 4140 H C -0.083 175.188 175.328 -0.095 0.000 1.409 4140 H CA -0.241 55.546 56.048 -0.435 0.000 1.463 4140 H CB 0.919 30.748 29.762 0.113 0.000 1.514 4140 H HN 0.574 nan 8.280 nan 0.000 0.619 4141 G N -2.492 106.490 108.800 0.303 0.000 2.887 4141 G HA2 0.494 4.453 3.960 -0.000 0.000 0.277 4141 G HA3 0.494 4.453 3.960 -0.000 0.000 0.277 4141 G C 0.046 175.240 174.900 0.489 0.000 1.346 4141 G CA -0.821 44.466 45.100 0.311 0.000 1.058 4141 G HN 1.182 nan 8.290 nan 0.000 0.535 4142 G N -2.305 106.700 108.800 0.341 0.000 2.325 4142 G HA2 0.422 4.382 3.960 -0.000 0.000 0.214 4142 G HA3 0.422 4.382 3.960 -0.000 0.000 0.214 4142 G C 0.939 175.937 174.900 0.164 0.000 1.087 4142 G CA 0.650 45.902 45.100 0.254 0.000 0.811 4142 G HN 2.276 nan 8.290 nan 0.000 0.486 4143 G N 0.061 108.945 108.800 0.140 0.000 2.361 4143 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.294 4143 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.294 4143 G C 1.271 176.159 174.900 -0.020 0.000 1.004 4143 G CA 0.796 45.927 45.100 0.051 0.000 0.870 4143 G HN 1.829 nan 8.290 nan 0.000 0.510 4144 L N -3.858 117.382 121.223 0.029 0.000 4.739 4144 L HA -0.319 4.021 4.340 -0.000 0.000 0.437 4144 L C 2.160 179.076 176.870 0.076 0.000 1.117 4144 L CA 1.705 56.551 54.840 0.011 0.000 0.970 4144 L CB -1.307 40.462 42.059 -0.483 0.000 1.965 4144 L HN 0.470 nan 8.230 nan 0.000 0.872 4145 M N -1.456 118.184 119.600 0.067 0.000 2.730 4145 M HA 0.273 4.753 4.480 -0.000 0.000 0.258 4145 M C 0.938 177.302 176.300 0.107 0.000 1.279 4145 M CA 1.310 56.654 55.300 0.073 0.000 1.183 4145 M CB 0.357 32.970 32.600 0.021 0.000 1.291 4145 M HN 0.250 nan 8.290 nan 0.000 0.518 4146 V N -2.791 117.186 119.914 0.106 0.000 3.119 4146 V HA 1.049 5.169 4.120 -0.000 0.000 0.311 4146 V C -0.124 176.035 176.094 0.108 0.000 1.259 4146 V CA -0.284 62.061 62.300 0.075 0.000 1.067 4146 V CB 1.069 32.917 31.823 0.041 0.000 1.123 4146 V HN 0.519 nan 8.190 nan 0.000 0.463 4147 G N -1.131 107.658 108.800 -0.018 0.000 2.459 4147 G HA2 0.589 4.549 3.960 -0.000 0.000 0.685 4147 G HA3 0.589 4.549 3.960 -0.000 0.000 0.685 4147 G C -0.645 173.889 174.900 -0.609 0.000 1.303 4147 G CA -0.151 44.817 45.100 -0.220 0.000 0.907 4147 G HN 2.659 nan 8.290 nan 0.000 0.632 4148 A N -0.992 121.285 122.820 -0.905 0.000 2.610 4148 A HA 1.059 5.379 4.320 -0.000 0.000 0.291 4148 A C 0.763 178.221 177.584 -0.211 0.000 1.086 4148 A CA 0.731 52.463 52.037 -0.508 0.000 0.677 4148 A CB 0.761 19.631 19.000 -0.218 0.000 1.278 4148 A HN 2.552 nan 8.150 nan 0.000 0.414 4149 A N 0.079 122.954 122.820 0.092 0.000 1.903 4149 A HA 0.184 4.504 4.320 -0.000 0.000 0.213 4149 A C 2.015 179.771 177.584 0.286 0.000 1.185 4149 A CA 2.120 54.352 52.037 0.324 0.000 0.628 4149 A CB -0.872 18.328 19.000 0.334 0.000 0.830 4149 A HN 1.141 nan 8.150 nan 0.000 0.446 4150 S N 0.135 115.922 115.700 0.144 0.000 2.440 4150 S HA -0.144 4.326 4.470 -0.000 0.000 0.240 4150 S C 1.854 176.380 174.600 -0.124 0.000 1.014 4150 S CA 1.672 59.903 58.200 0.052 0.000 0.980 4150 S CB -0.556 62.589 63.200 -0.092 0.000 0.775 4150 S HN 0.696 nan 8.310 nan 0.000 0.499 4151 T N 0.713 115.173 114.554 -0.156 0.000 2.803 4151 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 4151 T C -0.003 174.308 174.700 -0.648 0.000 1.052 4151 T CA 1.120 62.963 62.100 -0.429 0.000 1.136 4151 T CB -0.260 68.269 68.868 -0.565 0.000 0.864 4151 T HN 0.413 nan 8.240 nan 0.000 0.467 4152 Y N 1.428 121.556 120.300 -0.287 0.000 2.335 4152 Y HA 0.485 5.035 4.550 -0.000 0.000 0.339 4152 Y C -0.040 175.617 175.900 -0.405 0.000 0.987 4152 Y CA -2.291 55.445 58.100 -0.606 0.000 1.140 4152 Y CB 0.546 38.320 38.460 -1.142 0.000 1.173 4152 Y HN -0.111 nan 8.280 nan 0.000 0.486 4153 D N 2.055 122.274 120.400 -0.302 0.000 2.280 4153 D HA 0.246 4.886 4.640 -0.000 0.000 0.243 4153 D C 0.866 176.900 176.300 -0.443 0.000 1.129 4153 D CA -0.259 53.566 54.000 -0.292 0.000 0.848 4153 D CB 1.645 42.363 40.800 -0.138 0.000 1.107 4153 D HN 0.835 nan 8.370 nan 0.000 0.471 4154 G N 3.533 111.657 108.800 -1.126 0.000 3.141 4154 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 4154 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 4154 G C 1.510 176.166 174.900 -0.406 0.000 1.170 4154 G CA -0.226 44.475 45.100 -0.664 0.000 0.769 4154 G HN 0.544 nan 8.290 nan 0.000 0.546 4155 L N 0.492 121.511 121.223 -0.339 0.000 1.978 4155 L HA -0.225 4.115 4.340 -0.000 0.000 0.218 4155 L C 3.152 179.979 176.870 -0.072 0.000 1.075 4155 L CA 2.061 56.865 54.840 -0.059 0.000 0.767 4155 L CB -0.353 41.718 42.059 0.020 0.000 0.890 4155 L HN 0.349 nan 8.230 nan 0.000 0.434 4156 A N -0.455 122.336 122.820 -0.050 0.000 1.845 4156 A HA -0.274 4.046 4.320 -0.000 0.000 0.215 4156 A C 2.090 179.635 177.584 -0.065 0.000 1.195 4156 A CA 1.892 53.914 52.037 -0.024 0.000 0.616 4156 A CB -0.977 18.026 19.000 0.005 0.000 0.832 4156 A HN 0.464 nan 8.150 nan 0.000 0.443 4157 L N -0.183 120.978 121.223 -0.103 0.000 2.079 4157 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 4157 L C 2.594 179.415 176.870 -0.081 0.000 1.081 4157 L CA 2.287 57.051 54.840 -0.125 0.000 0.752 4157 L CB -0.819 41.126 42.059 -0.189 0.000 0.896 4157 L HN 0.371 nan 8.230 nan 0.000 0.433 4158 A N -0.539 122.242 122.820 -0.065 0.000 1.855 4158 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 4158 A C 2.445 179.955 177.584 -0.125 0.000 1.191 4158 A CA 1.878 53.898 52.037 -0.029 0.000 0.613 4158 A CB -1.214 17.822 19.000 0.060 0.000 0.829 4158 A HN 0.570 nan 8.150 nan 0.000 0.442 4159 A N -1.414 121.231 122.820 -0.291 0.000 1.873 4159 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 4159 A C 2.090 179.207 177.584 -0.779 0.000 1.186 4159 A CA 1.452 53.080 52.037 -0.682 0.000 0.616 4159 A CB -0.942 17.364 19.000 -1.157 0.000 0.823 4159 A HN 0.665 nan 8.150 nan 0.000 0.442 4160 H N -0.549 118.188 119.070 -0.556 0.000 2.321 4160 H HA -0.050 4.506 4.556 -0.000 0.000 0.300 4160 H C 1.111 176.394 175.328 -0.074 0.000 1.087 4160 H CA 1.653 57.570 56.048 -0.217 0.000 1.319 4160 H CB 0.194 29.799 29.762 -0.260 0.000 1.379 4160 H HN 0.409 nan 8.280 nan 0.000 0.501 4161 E N 0.243 120.454 120.200 0.019 0.000 2.481 4161 E HA -0.002 4.348 4.350 -0.000 0.000 0.198 4161 E C -0.052 176.558 176.600 0.017 0.000 1.027 4161 E CA -0.247 56.168 56.400 0.024 0.000 0.900 4161 E CB -0.201 29.507 29.700 0.013 0.000 0.993 4161 E HN 0.407 nan 8.360 nan 0.000 0.482 4162 N N 0.645 119.344 118.700 -0.003 0.000 2.714 4162 N HA -0.175 4.565 4.740 -0.000 0.000 0.253 4162 N C -0.574 174.955 175.510 0.032 0.000 1.024 4162 N CA 0.438 53.498 53.050 0.017 0.000 0.726 4162 N CB -0.770 37.739 38.487 0.036 0.000 0.908 4162 N HN 0.028 nan 8.380 nan 0.000 0.542 4163 V N -2.766 117.168 119.914 0.033 0.000 3.040 4163 V HA 0.741 4.861 4.120 -0.000 0.000 0.312 4163 V C 0.348 176.498 176.094 0.094 0.000 1.115 4163 V CA -0.868 61.464 62.300 0.053 0.000 0.998 4163 V CB 2.171 34.012 31.823 0.031 0.000 1.042 4163 V HN -0.115 nan 8.190 nan 0.000 0.433 4164 V N 3.238 123.226 119.914 0.123 0.000 2.406 4164 V HA 0.400 4.520 4.120 -0.000 0.000 0.272 4164 V C 0.128 176.346 176.094 0.206 0.000 1.043 4164 V CA -0.240 62.167 62.300 0.178 0.000 0.915 4164 V CB 1.176 33.108 31.823 0.183 0.000 0.988 4164 V HN 0.734 nan 8.190 nan 0.000 0.466 4165 V N 6.233 126.307 119.914 0.267 0.000 2.394 4165 V HA 0.452 4.572 4.120 -0.000 0.000 0.282 4165 V C -0.110 176.233 176.094 0.414 0.000 1.031 4165 V CA -0.459 62.040 62.300 0.332 0.000 0.881 4165 V CB 1.831 33.828 31.823 0.290 0.000 0.982 4165 V HN 0.596 nan 8.190 nan 0.000 0.451 4166 V N 4.253 124.402 119.914 0.391 0.000 2.407 4166 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 4166 V C 0.217 176.539 176.094 0.380 0.000 1.018 4166 V CA -0.531 61.971 62.300 0.336 0.000 0.842 4166 V CB 2.139 34.101 31.823 0.233 0.000 0.996 4166 V HN 0.998 nan 8.190 nan 0.000 0.426 4167 T N 3.957 118.751 114.554 0.400 0.000 2.767 4167 T HA 0.797 5.147 4.350 -0.000 0.000 0.288 4167 T C -0.357 174.529 174.700 0.309 0.000 0.963 4167 T CA -0.471 61.883 62.100 0.424 0.000 1.019 4167 T CB 1.266 70.423 68.868 0.483 0.000 0.923 4167 T HN 0.655 nan 8.240 nan 0.000 0.468 4168 I N 0.117 120.846 120.570 0.266 0.000 2.797 4168 I HA 0.649 4.819 4.170 -0.000 0.000 0.307 4168 I C -0.690 175.640 176.117 0.355 0.000 1.033 4168 I CA -1.278 60.157 61.300 0.226 0.000 1.071 4168 I CB 2.107 40.131 38.000 0.040 0.000 1.255 4168 I HN 0.556 nan 8.210 nan 0.000 0.445 4169 Q N 2.789 122.839 119.800 0.416 0.000 2.348 4169 Q HA 0.562 4.902 4.340 -0.000 0.000 0.271 4169 Q C -1.867 174.412 176.000 0.464 0.000 1.067 4169 Q CA -0.798 55.237 55.803 0.388 0.000 0.839 4169 Q CB 2.731 31.637 28.738 0.281 0.000 1.354 4169 Q HN 0.724 nan 8.270 nan 0.000 0.447 4170 Y N -2.511 117.928 120.300 0.231 0.000 2.571 4170 Y HA 0.537 5.087 4.550 -0.000 0.000 0.341 4170 Y C -0.791 175.185 175.900 0.126 0.000 1.076 4170 Y CA -1.493 56.710 58.100 0.172 0.000 1.029 4170 Y CB 0.795 39.312 38.460 0.094 0.000 1.308 4170 Y HN 0.406 nan 8.280 nan 0.000 0.461 4171 R N 2.086 122.678 120.500 0.154 0.000 2.585 4171 R HA 0.330 4.670 4.340 -0.000 0.000 0.275 4171 R C -0.851 175.525 176.300 0.128 0.000 1.018 4171 R CA 0.171 56.320 56.100 0.082 0.000 1.072 4171 R CB 0.195 30.562 30.300 0.112 0.000 0.953 4171 R HN 0.677 nan 8.270 nan 0.000 0.419 4172 L N 1.494 122.818 121.223 0.169 0.000 2.313 4172 L HA 0.454 4.794 4.340 -0.000 0.000 0.268 4172 L C 1.419 178.575 176.870 0.477 0.000 1.010 4172 L CA -0.352 54.679 54.840 0.318 0.000 0.814 4172 L CB 1.533 43.689 42.059 0.162 0.000 1.304 4172 L HN 0.906 nan 8.230 nan 0.000 0.441 4173 G N 0.822 109.902 108.800 0.465 0.000 2.672 4173 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.324 4173 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.324 4173 G C 0.899 176.026 174.900 0.378 0.000 1.286 4173 G CA 0.771 46.065 45.100 0.322 0.000 1.004 4173 G HN 0.639 nan 8.290 nan 0.000 0.548 4174 I N -0.480 120.238 120.570 0.247 0.000 2.127 4174 I HA -0.196 3.974 4.170 -0.000 0.000 0.241 4174 I C 2.886 179.225 176.117 0.371 0.000 1.075 4174 I CA 2.442 63.846 61.300 0.173 0.000 1.334 4174 I CB -0.387 37.474 38.000 -0.232 0.000 1.040 4174 I HN 0.569 nan 8.210 nan 0.000 0.405 4175 W N 0.737 122.222 121.300 0.310 0.000 2.338 4175 W HA -0.137 4.523 4.660 -0.000 0.000 0.304 4175 W C 2.396 179.061 176.519 0.243 0.000 1.212 4175 W CA 1.349 58.794 57.345 0.167 0.000 1.264 4175 W CB -0.997 28.452 29.460 -0.018 0.000 1.142 4175 W HN 0.255 nan 8.180 nan 0.000 0.512 4176 G N -2.210 106.835 108.800 0.409 0.000 2.744 4176 G HA2 0.014 3.974 3.960 -0.000 0.000 0.211 4176 G HA3 0.014 3.974 3.960 -0.000 0.000 0.211 4176 G C 0.667 175.228 174.900 -0.563 0.000 1.146 4176 G CA 0.150 45.226 45.100 -0.041 0.000 0.787 4176 G HN 0.148 nan 8.290 nan 0.000 0.534 4177 F N -1.060 119.110 119.950 0.367 0.000 2.880 4177 F HA 0.400 4.927 4.527 -0.000 0.000 0.328 4177 F C 0.154 176.033 175.800 0.133 0.000 1.146 4177 F CA -1.716 56.367 58.000 0.139 0.000 1.135 4177 F CB 0.195 39.203 39.000 0.013 0.000 1.151 4177 F HN -0.010 nan 8.300 nan 0.000 0.523 4178 F N 2.102 122.229 119.950 0.295 0.000 2.578 4178 F HA 0.360 4.887 4.527 -0.000 0.000 0.381 4178 F C 0.464 176.314 175.800 0.083 0.000 1.069 4178 F CA 0.436 58.497 58.000 0.101 0.000 1.231 4178 F CB 0.484 39.387 39.000 -0.161 0.000 1.086 4178 F HN -0.082 nan 8.300 nan 0.000 0.564 4179 S N 3.672 118.880 115.700 -0.821 0.000 2.619 4179 S HA 0.290 4.760 4.470 -0.000 0.000 0.280 4179 S C 0.363 174.557 174.600 -0.675 0.000 1.150 4179 S CA -0.095 57.757 58.200 -0.579 0.000 0.978 4179 S CB 1.291 64.313 63.200 -0.297 0.000 1.041 4179 S HN 0.827 nan 8.310 nan 0.000 0.485 4180 T N 0.972 115.259 114.554 -0.445 0.000 3.107 4180 T HA 0.364 4.714 4.350 -0.000 0.000 0.249 4180 T C 1.492 176.113 174.700 -0.132 0.000 1.096 4180 T CA 0.634 62.583 62.100 -0.253 0.000 1.012 4180 T CB -0.147 68.687 68.868 -0.057 0.000 0.977 4180 T HN 1.766 nan 8.240 nan 0.000 0.527 4181 G N 2.115 110.831 108.800 -0.141 0.000 2.162 4181 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 4181 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 4181 G C -0.275 174.589 174.900 -0.059 0.000 0.976 4181 G CA 0.406 45.450 45.100 -0.094 0.000 0.655 4181 G HN 0.960 nan 8.290 nan 0.000 0.533 4182 D N -2.170 118.205 120.400 -0.042 0.000 2.744 4182 D HA 0.464 5.104 4.640 -0.000 0.000 0.304 4182 D C 1.307 177.579 176.300 -0.048 0.000 1.179 4182 D CA -0.046 53.930 54.000 -0.040 0.000 1.024 4182 D CB -0.221 40.568 40.800 -0.019 0.000 1.453 4182 D HN 0.098 nan 8.370 nan 0.000 0.529 4183 E N -0.120 120.004 120.200 -0.127 0.000 2.267 4183 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 4183 E C 0.975 177.512 176.600 -0.104 0.000 0.998 4183 E CA 1.356 57.673 56.400 -0.138 0.000 0.830 4183 E CB -0.657 28.919 29.700 -0.207 0.000 0.751 4183 E HN 0.545 nan 8.360 nan 0.000 0.491 4184 H N 0.392 119.520 119.070 0.097 0.000 2.491 4184 H HA 0.134 4.690 4.556 -0.000 0.000 0.290 4184 H C 0.422 175.864 175.328 0.191 0.000 1.050 4184 H CA 1.260 57.381 56.048 0.123 0.000 1.309 4184 H CB 0.340 30.159 29.762 0.095 0.000 1.392 4184 H HN 0.125 nan 8.280 nan 0.000 0.554 4185 S N -0.199 115.671 115.700 0.283 0.000 2.689 4185 S HA 0.208 4.678 4.470 -0.000 0.000 0.151 4185 S C 0.830 175.560 174.600 0.217 0.000 1.155 4185 S CA -0.613 57.830 58.200 0.406 0.000 1.144 4185 S CB 0.304 63.704 63.200 0.334 0.000 1.526 4185 S HN 0.164 nan 8.310 nan 0.000 0.419 4186 R N 1.646 122.248 120.500 0.169 0.000 2.083 4186 R HA 0.160 4.500 4.340 -0.000 0.000 0.237 4186 R C 1.427 177.516 176.300 -0.352 0.000 1.137 4186 R CA 1.346 57.377 56.100 -0.114 0.000 0.951 4186 R CB -0.315 29.901 30.300 -0.139 0.000 0.851 4186 R HN 0.853 nan 8.270 nan 0.000 0.434 4187 G N -0.733 107.554 108.800 -0.856 0.000 2.409 4187 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.421 4187 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.421 4187 G C -0.646 173.495 174.900 -1.265 0.000 1.259 4187 G CA -0.360 44.111 45.100 -1.049 0.000 1.011 4187 G HN 0.252 nan 8.290 nan 0.000 0.497 4188 N N -1.178 117.126 118.700 -0.660 0.000 2.741 4188 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 4188 N C 1.255 176.502 175.510 -0.440 0.000 1.112 4188 N CA 1.974 54.830 53.050 -0.322 0.000 0.750 4188 N CB -1.555 36.888 38.487 -0.073 0.000 1.119 4188 N HN 0.715 nan 8.380 nan 0.000 0.561 4189 W N 0.587 121.773 121.300 -0.191 0.000 2.321 4189 W HA -0.146 4.514 4.660 -0.000 0.000 0.306 4189 W C 2.495 178.886 176.519 -0.212 0.000 1.217 4189 W CA 0.871 58.135 57.345 -0.136 0.000 1.257 4189 W CB -0.691 28.731 29.460 -0.064 0.000 1.145 4189 W HN 0.301 nan 8.180 nan 0.000 0.509 4190 G N -0.549 108.001 108.800 -0.416 0.000 2.432 4190 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 4190 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 4190 G C 1.210 176.047 174.900 -0.106 0.000 1.135 4190 G CA 1.192 46.138 45.100 -0.257 0.000 0.767 4190 G HN 0.298 nan 8.290 nan 0.000 0.550 4191 H N 0.259 119.306 119.070 -0.039 0.000 2.428 4191 H HA 0.125 4.681 4.556 -0.000 0.000 0.296 4191 H C 2.684 178.000 175.328 -0.021 0.000 1.062 4191 H CA 0.655 56.679 56.048 -0.039 0.000 1.350 4191 H CB -0.156 29.598 29.762 -0.013 0.000 1.403 4191 H HN 0.283 nan 8.280 nan 0.000 0.533 4192 L N 0.352 121.658 121.223 0.139 0.000 2.141 4192 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 4192 L C 1.948 178.919 176.870 0.168 0.000 1.094 4192 L CA 0.873 55.801 54.840 0.147 0.000 0.763 4192 L CB -0.213 41.965 42.059 0.199 0.000 0.908 4192 L HN 0.092 nan 8.230 nan 0.000 0.437 4193 D N -0.015 120.502 120.400 0.194 0.000 2.144 4193 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 4193 D C 2.270 178.678 176.300 0.179 0.000 0.978 4193 D CA 1.048 55.222 54.000 0.290 0.000 0.833 4193 D CB -0.064 40.947 40.800 0.351 0.000 0.961 4193 D HN 0.383 nan 8.370 nan 0.000 0.470 4194 Q N 0.209 120.045 119.800 0.060 0.000 2.050 4194 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 4194 Q C 2.399 178.359 176.000 -0.066 0.000 0.980 4194 Q CA 0.914 56.672 55.803 -0.075 0.000 0.840 4194 Q CB 0.009 28.654 28.738 -0.155 0.000 0.898 4194 Q HN 0.118 nan 8.270 nan 0.000 0.424 4195 V N 0.823 120.739 119.914 0.003 0.000 2.407 4195 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 4195 V C 2.185 178.306 176.094 0.045 0.000 1.055 4195 V CA 1.750 64.065 62.300 0.026 0.000 1.049 4195 V CB -0.955 30.898 31.823 0.050 0.000 0.662 4195 V HN 0.415 nan 8.190 nan 0.000 0.455 4196 A N -0.091 122.779 122.820 0.084 0.000 1.969 4196 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 4196 A C 2.403 180.015 177.584 0.048 0.000 1.169 4196 A CA 1.873 54.002 52.037 0.155 0.000 0.635 4196 A CB -0.603 18.585 19.000 0.314 0.000 0.810 4196 A HN 0.558 nan 8.150 nan 0.000 0.445 4197 A N -0.204 122.426 122.820 -0.317 0.000 1.930 4197 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 4197 A C 2.108 179.630 177.584 -0.102 0.000 1.175 4197 A CA 1.313 52.972 52.037 -0.631 0.000 0.627 4197 A CB -0.533 17.888 19.000 -0.965 0.000 0.815 4197 A HN 0.461 nan 8.150 nan 0.000 0.443 4198 L N -1.091 120.106 121.223 -0.043 0.000 2.131 4198 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 4198 L C 2.824 179.750 176.870 0.094 0.000 1.092 4198 L CA 1.194 56.064 54.840 0.051 0.000 0.759 4198 L CB -0.451 41.644 42.059 0.059 0.000 0.903 4198 L HN 0.361 nan 8.230 nan 0.000 0.435 4199 R N -1.133 119.429 120.500 0.102 0.000 2.092 4199 R HA -0.197 4.143 4.340 -0.000 0.000 0.231 4199 R C 2.097 178.473 176.300 0.128 0.000 1.119 4199 R CA 1.665 57.827 56.100 0.103 0.000 0.970 4199 R CB -0.391 29.978 30.300 0.114 0.000 0.864 4199 R HN 0.391 nan 8.270 nan 0.000 0.440 4200 W N 0.943 122.265 121.300 0.035 0.000 2.355 4200 W HA -0.200 4.460 4.660 -0.000 0.000 0.309 4200 W C 1.819 178.364 176.519 0.042 0.000 1.206 4200 W CA 1.189 58.575 57.345 0.068 0.000 1.284 4200 W CB -0.252 29.279 29.460 0.118 0.000 1.145 4200 W HN -0.247 nan 8.180 nan 0.000 0.502 4201 V N 0.843 120.936 119.914 0.298 0.000 2.332 4201 V HA -0.402 3.718 4.120 -0.000 0.000 0.248 4201 V C 2.400 178.479 176.094 -0.025 0.000 1.055 4201 V CA 2.492 64.889 62.300 0.162 0.000 1.038 4201 V CB -1.202 30.741 31.823 0.200 0.000 0.651 4201 V HN 0.403 nan 8.190 nan 0.000 0.450 4202 Q N -0.316 119.482 119.800 -0.004 0.000 2.096 4202 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 4202 Q C 1.724 177.662 176.000 -0.103 0.000 0.982 4202 Q CA 2.125 57.915 55.803 -0.022 0.000 0.850 4202 Q CB -0.095 28.646 28.738 0.005 0.000 0.901 4202 Q HN 0.659 nan 8.270 nan 0.000 0.422 4203 D N -0.583 119.699 120.400 -0.197 0.000 2.305 4203 D HA -0.017 4.623 4.640 -0.000 0.000 0.206 4203 D C 0.903 176.979 176.300 -0.373 0.000 0.974 4203 D CA 0.564 54.407 54.000 -0.262 0.000 0.871 4203 D CB 0.119 40.753 40.800 -0.277 0.000 0.947 4203 D HN 0.371 nan 8.370 nan 0.000 0.516 4204 N N -0.021 118.341 118.700 -0.564 0.000 2.239 4204 N HA 0.019 4.759 4.740 -0.000 0.000 0.208 4204 N C 1.584 176.966 175.510 -0.214 0.000 1.200 4204 N CA -0.194 52.513 53.050 -0.572 0.000 0.895 4204 N CB 0.931 38.657 38.487 -1.269 0.000 1.085 4204 N HN -0.004 nan 8.380 nan 0.000 0.500 4205 I N 2.617 123.098 120.570 -0.149 0.000 2.423 4205 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 4205 I C 2.169 178.374 176.117 0.147 0.000 1.151 4205 I CA 0.614 61.974 61.300 0.101 0.000 1.421 4205 I CB -0.284 37.769 38.000 0.088 0.000 1.079 4205 I HN 0.072 nan 8.210 nan 0.000 0.431 4206 A N -1.115 121.725 122.820 0.034 0.000 1.972 4206 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 4206 A C 2.425 180.004 177.584 -0.008 0.000 1.169 4206 A CA 1.888 53.934 52.037 0.015 0.000 0.635 4206 A CB -0.842 18.141 19.000 -0.028 0.000 0.810 4206 A HN 0.438 nan 8.150 nan 0.000 0.446 4207 S N -0.971 114.691 115.700 -0.062 0.000 2.447 4207 S HA -0.026 4.444 4.470 -0.000 0.000 0.233 4207 S C 0.866 175.240 174.600 -0.378 0.000 1.006 4207 S CA 0.896 58.951 58.200 -0.242 0.000 0.957 4207 S CB -0.398 62.569 63.200 -0.388 0.000 0.773 4207 S HN 0.588 nan 8.310 nan 0.000 0.507 4208 F N 0.684 120.602 119.950 -0.054 0.000 2.693 4208 F HA 0.360 4.887 4.527 -0.000 0.000 0.303 4208 F C 1.713 177.541 175.800 0.046 0.000 1.097 4208 F CA 0.063 58.048 58.000 -0.024 0.000 1.330 4208 F CB 0.032 39.014 39.000 -0.030 0.000 1.067 4208 F HN 0.249 nan 8.300 nan 0.000 0.565 4209 G N 0.219 109.104 108.800 0.141 0.000 2.141 4209 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.231 4209 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.231 4209 G C 0.544 175.516 174.900 0.120 0.000 0.984 4209 G CA -0.251 44.920 45.100 0.118 0.000 0.660 4209 G HN 0.730 nan 8.290 nan 0.000 0.525 4210 G N -0.605 108.277 108.800 0.137 0.000 2.437 4210 G HA2 0.504 4.463 3.960 -0.000 0.000 0.319 4210 G HA3 0.504 4.463 3.960 -0.000 0.000 0.319 4210 G C -0.317 174.627 174.900 0.074 0.000 1.158 4210 G CA -0.192 44.976 45.100 0.114 0.000 0.899 4210 G HN 0.440 nan 8.290 nan 0.000 0.502 4211 N N 1.414 120.150 118.700 0.059 0.000 2.500 4211 N HA 0.269 5.009 4.740 -0.000 0.000 0.236 4211 N C -1.205 174.332 175.510 0.044 0.000 1.022 4211 N CA -2.482 50.586 53.050 0.031 0.000 0.935 4211 N CB 1.863 40.354 38.487 0.007 0.000 1.147 4211 N HN 0.085 nan 8.380 nan 0.000 0.512 4212 P HA -0.040 nan 4.420 nan 0.000 0.223 4212 P C 0.885 178.252 177.300 0.113 0.000 1.144 4212 P CA 0.737 63.880 63.100 0.071 0.000 0.783 4212 P CB 0.110 31.828 31.700 0.031 0.000 0.771 4213 G N -0.944 107.855 108.800 -0.002 0.000 3.088 4213 G HA2 0.019 3.979 3.960 -0.000 0.000 0.212 4213 G HA3 0.019 3.979 3.960 -0.000 0.000 0.212 4213 G C 0.462 175.069 174.900 -0.488 0.000 1.173 4213 G CA 0.122 45.108 45.100 -0.190 0.000 0.779 4213 G HN 0.353 nan 8.290 nan 0.000 0.540 4214 S N 0.092 115.730 115.700 -0.104 0.000 2.440 4214 S HA 0.442 4.912 4.470 -0.000 0.000 0.142 4214 S C -0.832 173.897 174.600 0.215 0.000 1.578 4214 S CA -0.422 57.776 58.200 -0.003 0.000 1.260 4214 S CB 0.311 63.475 63.200 -0.060 0.000 1.407 4214 S HN -0.045 nan 8.310 nan 0.000 0.392 4215 V N 3.085 123.293 119.914 0.490 0.000 2.435 4215 V HA 0.580 4.700 4.120 -0.000 0.000 0.290 4215 V C 0.265 176.481 176.094 0.204 0.000 1.030 4215 V CA -0.386 62.071 62.300 0.262 0.000 0.881 4215 V CB 1.771 33.716 31.823 0.204 0.000 0.983 4215 V HN 0.649 nan 8.190 nan 0.000 0.445 4216 T N 6.181 120.817 114.554 0.137 0.000 2.792 4216 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 4216 T C -0.245 174.544 174.700 0.149 0.000 0.990 4216 T CA -0.206 61.953 62.100 0.099 0.000 0.960 4216 T CB 0.992 69.852 68.868 -0.014 0.000 0.939 4216 T HN 0.630 nan 8.240 nan 0.000 0.439 4217 I N 1.824 122.459 120.570 0.108 0.000 2.359 4217 I HA 0.872 5.042 4.170 -0.000 0.000 0.294 4217 I C -0.968 175.310 176.117 0.269 0.000 0.987 4217 I CA -0.993 60.377 61.300 0.116 0.000 1.225 4217 I CB 0.933 38.791 38.000 -0.237 0.000 1.366 4217 I HN 0.477 nan 8.210 nan 0.000 0.466 4218 F N 3.199 123.167 119.950 0.029 0.000 2.631 4218 F HA 1.021 5.548 4.527 -0.000 0.000 0.308 4218 F C -0.413 175.335 175.800 -0.087 0.000 1.097 4218 F CA -1.544 56.511 58.000 0.093 0.000 0.952 4218 F CB 1.313 40.499 39.000 0.311 0.000 1.307 4218 F HN 0.847 nan 8.300 nan 0.000 0.450 4219 G N 1.136 109.767 108.800 -0.283 0.000 2.523 4219 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 4219 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 4219 G C -2.406 172.241 174.900 -0.421 0.000 1.450 4219 G CA -0.773 43.734 45.100 -0.989 0.000 0.790 4219 G HN 1.096 nan 8.290 nan 0.000 0.496 4220 E N -0.637 119.303 120.200 -0.433 0.000 2.288 4220 E HA 0.787 5.137 4.350 -0.000 0.000 0.268 4220 E C 0.560 177.164 176.600 0.008 0.000 0.885 4220 E CA 0.079 56.444 56.400 -0.058 0.000 0.767 4220 E CB 1.895 31.634 29.700 0.066 0.000 1.220 4220 E HN 1.430 nan 8.360 nan 0.000 0.427 4221 S N 1.679 117.466 115.700 0.145 0.000 4.141 4221 S HA -0.364 4.106 4.470 -0.000 0.000 0.622 4221 S C 1.531 176.237 174.600 0.176 0.000 1.894 4221 S CA 2.082 60.474 58.200 0.320 0.000 4.238 4221 S CB -1.850 61.635 63.200 0.474 0.000 0.205 4221 S HN 1.581 nan 8.310 nan 0.000 0.486 4222 A N 0.985 123.896 122.820 0.152 0.000 2.070 4222 A HA 0.193 4.513 4.320 -0.000 0.000 0.220 4222 A C 2.323 179.884 177.584 -0.038 0.000 1.159 4222 A CA 2.345 54.414 52.037 0.053 0.000 0.656 4222 A CB -1.366 17.680 19.000 0.076 0.000 0.800 4222 A HN 1.532 nan 8.150 nan 0.000 0.453 4223 G N -0.840 107.903 108.800 -0.095 0.000 2.430 4223 G HA2 0.149 4.109 3.960 -0.000 0.000 0.216 4223 G HA3 0.149 4.109 3.960 -0.000 0.000 0.216 4223 G C 1.415 176.178 174.900 -0.229 0.000 1.146 4223 G CA 1.040 45.970 45.100 -0.284 0.000 0.793 4223 G HN 0.626 nan 8.290 nan 0.000 0.537 4224 G N 0.338 109.077 108.800 -0.100 0.000 2.403 4224 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.216 4224 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.216 4224 G C 1.529 176.413 174.900 -0.027 0.000 1.154 4224 G CA 1.032 46.117 45.100 -0.025 0.000 0.784 4224 G HN 0.422 nan 8.290 nan 0.000 0.538 4225 E N 0.884 121.068 120.200 -0.027 0.000 2.106 4225 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 4225 E C 2.516 179.058 176.600 -0.098 0.000 0.984 4225 E CA 1.006 57.376 56.400 -0.050 0.000 0.806 4225 E CB -0.177 29.497 29.700 -0.042 0.000 0.750 4225 E HN 0.316 nan 8.360 nan 0.000 0.458 4226 S N 0.225 115.861 115.700 -0.107 0.000 2.348 4226 S HA -0.136 4.334 4.470 -0.000 0.000 0.221 4226 S C 2.137 176.596 174.600 -0.235 0.000 1.033 4226 S CA 1.264 59.382 58.200 -0.135 0.000 1.010 4226 S CB -0.316 62.750 63.200 -0.223 0.000 0.891 4226 S HN 0.149 nan 8.310 nan 0.000 0.442 4227 V N 1.306 121.074 119.914 -0.242 0.000 2.282 4227 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 4227 V C 2.593 178.495 176.094 -0.321 0.000 1.057 4227 V CA 2.141 64.261 62.300 -0.299 0.000 1.032 4227 V CB -0.936 30.767 31.823 -0.199 0.000 0.645 4227 V HN 0.552 nan 8.190 nan 0.000 0.447 4228 S N -0.653 114.931 115.700 -0.193 0.000 2.359 4228 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 4228 S C 1.962 176.420 174.600 -0.238 0.000 1.035 4228 S CA 2.035 60.138 58.200 -0.162 0.000 1.018 4228 S CB -0.255 62.922 63.200 -0.038 0.000 0.876 4228 S HN 0.333 nan 8.310 nan 0.000 0.448 4229 V N 1.940 121.702 119.914 -0.253 0.000 2.343 4229 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 4229 V C 2.352 178.275 176.094 -0.286 0.000 1.051 4229 V CA 1.726 63.845 62.300 -0.302 0.000 1.036 4229 V CB -0.627 30.920 31.823 -0.460 0.000 0.654 4229 V HN 0.483 nan 8.190 nan 0.000 0.451 4230 L N -0.555 120.490 121.223 -0.297 0.000 2.131 4230 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 4230 L C 2.416 179.242 176.870 -0.072 0.000 1.092 4230 L CA 0.917 55.624 54.840 -0.221 0.000 0.759 4230 L CB -0.566 41.288 42.059 -0.341 0.000 0.903 4230 L HN 0.212 nan 8.230 nan 0.000 0.435 4231 V N 0.111 119.915 119.914 -0.183 0.000 2.490 4231 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 4231 V C 2.088 178.101 176.094 -0.136 0.000 1.061 4231 V CA 1.451 63.717 62.300 -0.058 0.000 1.064 4231 V CB -0.267 31.308 31.823 -0.414 0.000 0.670 4231 V HN 0.402 nan 8.190 nan 0.000 0.461 4232 L N -0.807 120.263 121.223 -0.255 0.000 2.592 4232 L HA 0.170 4.510 4.340 -0.000 0.000 0.227 4232 L C 1.118 177.917 176.870 -0.119 0.000 1.127 4232 L CA 0.150 54.805 54.840 -0.308 0.000 0.884 4232 L CB 0.103 41.984 42.059 -0.297 0.000 1.065 4232 L HN 0.194 nan 8.230 nan 0.000 0.457 4233 S N 0.715 116.374 115.700 -0.068 0.000 2.499 4233 S HA 0.292 4.761 4.470 -0.000 0.000 0.279 4233 S C -1.354 173.233 174.600 -0.021 0.000 1.219 4233 S CA -1.471 56.701 58.200 -0.046 0.000 1.062 4233 S CB 1.112 64.270 63.200 -0.070 0.000 0.978 4233 S HN -0.032 nan 8.310 nan 0.000 0.489 4234 P HA -0.005 nan 4.420 nan 0.000 0.229 4234 P C 1.252 178.515 177.300 -0.061 0.000 1.160 4234 P CA 0.603 63.677 63.100 -0.043 0.000 0.777 4234 P CB 0.124 31.813 31.700 -0.018 0.000 0.814 4235 L N -0.743 120.458 121.223 -0.038 0.000 2.240 4235 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 4235 L C 2.370 179.229 176.870 -0.019 0.000 1.106 4235 L CA 1.214 56.041 54.840 -0.022 0.000 0.793 4235 L CB -0.607 41.450 42.059 -0.003 0.000 0.927 4235 L HN -0.040 nan 8.230 nan 0.000 0.446 4236 A N 0.145 122.961 122.820 -0.007 0.000 2.303 4236 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 4236 A C 0.834 178.367 177.584 -0.085 0.000 1.205 4236 A CA -0.329 51.747 52.037 0.065 0.000 0.875 4236 A CB -0.179 18.960 19.000 0.231 0.000 0.910 4236 A HN 0.338 nan 8.150 nan 0.000 0.501 4237 K N 0.953 121.160 120.400 -0.321 0.000 2.453 4237 K HA 0.023 4.343 4.320 -0.000 0.000 0.280 4237 K C -0.312 175.979 176.600 -0.514 0.000 1.045 4237 K CA 0.419 56.200 56.287 -0.843 0.000 1.059 4237 K CB -0.042 32.018 32.500 -0.733 0.000 0.901 4237 K HN 0.199 nan 8.250 nan 0.000 0.475 4238 N N 1.693 120.082 118.700 -0.519 0.000 2.999 4238 N HA -0.139 4.601 4.740 -0.000 0.000 0.242 4238 N C -0.121 175.264 175.510 -0.209 0.000 1.016 4238 N CA 0.838 53.741 53.050 -0.246 0.000 0.894 4238 N CB -0.942 37.464 38.487 -0.136 0.000 1.113 4238 N HN 0.702 nan 8.380 nan 0.000 0.555 4239 L N -0.657 120.423 121.223 -0.239 0.000 2.731 4239 L HA 0.287 4.627 4.340 -0.000 0.000 0.240 4239 L C 0.230 177.072 176.870 -0.047 0.000 1.120 4239 L CA 0.229 55.033 54.840 -0.059 0.000 0.913 4239 L CB 0.095 42.209 42.059 0.091 0.000 1.213 4239 L HN 0.158 nan 8.230 nan 0.000 0.515 4240 F N -4.203 115.546 119.950 -0.336 0.000 2.662 4240 F HA 0.484 5.011 4.527 -0.000 0.000 0.312 4240 F C 0.405 175.816 175.800 -0.648 0.000 1.113 4240 F CA -0.947 56.787 58.000 -0.444 0.000 0.951 4240 F CB 0.824 39.728 39.000 -0.159 0.000 1.344 4240 F HN -0.124 nan 8.300 nan 0.000 0.462 4241 H N -0.160 118.979 119.070 0.114 0.000 3.170 4241 H HA 0.459 5.015 4.556 -0.000 0.000 0.264 4241 H C -0.480 174.840 175.328 -0.014 0.000 1.113 4241 H CA -0.147 55.880 56.048 -0.033 0.000 1.194 4241 H CB 0.807 30.538 29.762 -0.052 0.000 1.553 4241 H HN 0.545 nan 8.280 nan 0.000 0.538 4242 R N 0.252 120.854 120.500 0.169 0.000 2.629 4242 R HA 0.680 5.020 4.340 -0.000 0.000 0.266 4242 R C -1.414 174.988 176.300 0.169 0.000 1.051 4242 R CA -0.557 55.566 56.100 0.039 0.000 0.895 4242 R CB 2.412 32.532 30.300 -0.299 0.000 1.246 4242 R HN 0.131 nan 8.270 nan 0.000 0.459 4243 A N 2.467 125.414 122.820 0.213 0.000 2.454 4243 A HA 0.873 5.193 4.320 -0.000 0.000 0.302 4243 A C -1.162 176.641 177.584 0.365 0.000 1.079 4243 A CA -0.710 51.395 52.037 0.114 0.000 0.731 4243 A CB 1.302 20.132 19.000 -0.284 0.000 1.299 4243 A HN 0.604 nan 8.150 nan 0.000 0.413 4244 I N 1.116 121.855 120.570 0.282 0.000 2.534 4244 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 4244 I C -0.433 175.860 176.117 0.292 0.000 1.094 4244 I CA -0.181 61.275 61.300 0.259 0.000 1.055 4244 I CB 2.385 40.465 38.000 0.133 0.000 1.225 4244 I HN 0.480 nan 8.210 nan 0.000 0.435 4245 S N 5.066 120.934 115.700 0.279 0.000 2.433 4245 S HA 0.383 4.853 4.470 -0.000 0.000 0.310 4245 S C -0.512 174.185 174.600 0.162 0.000 1.097 4245 S CA -0.625 57.690 58.200 0.191 0.000 1.103 4245 S CB 1.030 64.340 63.200 0.184 0.000 0.992 4245 S HN 0.470 nan 8.310 nan 0.000 0.469 4246 E N 1.785 122.111 120.200 0.210 0.000 2.092 4246 E HA 0.357 4.707 4.350 -0.000 0.000 0.271 4246 E C -0.514 176.177 176.600 0.151 0.000 0.919 4246 E CA -0.523 56.035 56.400 0.264 0.000 0.760 4246 E CB 1.077 31.005 29.700 0.381 0.000 1.106 4246 E HN 0.613 nan 8.360 nan 0.000 0.408 4247 S N 2.033 117.804 115.700 0.117 0.000 3.572 4247 S HA -0.115 4.355 4.470 -0.000 0.000 0.394 4247 S C 0.011 174.839 174.600 0.378 0.000 0.923 4247 S CA 0.554 58.844 58.200 0.151 0.000 1.291 4247 S CB -1.077 62.109 63.200 -0.023 0.000 0.914 4247 S HN 0.984 nan 8.310 nan 0.000 0.545 4248 G N -0.995 107.999 108.800 0.323 0.000 2.226 4248 G HA2 0.505 4.465 3.960 -0.000 0.000 0.257 4248 G HA3 0.505 4.465 3.960 -0.000 0.000 0.257 4248 G C -0.888 174.070 174.900 0.095 0.000 1.732 4248 G CA 0.164 45.421 45.100 0.262 0.000 0.914 4248 G HN 1.651 nan 8.290 nan 0.000 0.742 4249 V N -1.009 118.920 119.914 0.023 0.000 3.226 4249 V HA 0.915 5.035 4.120 -0.000 0.000 0.304 4249 V C 1.381 177.438 176.094 -0.061 0.000 1.336 4249 V CA 0.015 62.309 62.300 -0.010 0.000 1.066 4249 V CB 1.001 32.818 31.823 -0.011 0.000 1.087 4249 V HN 2.401 nan 8.190 nan 0.000 0.451 4250 A N -0.151 122.629 122.820 -0.068 0.000 2.084 4250 A HA 0.022 4.342 4.320 -0.000 0.000 0.221 4250 A C 1.572 179.091 177.584 -0.110 0.000 1.161 4250 A CA 2.122 54.099 52.037 -0.100 0.000 0.653 4250 A CB -0.790 18.146 19.000 -0.107 0.000 0.802 4250 A HN 0.893 nan 8.150 nan 0.000 0.457 4251 L N -0.686 120.473 121.223 -0.106 0.000 2.592 4251 L HA 0.045 4.385 4.340 -0.000 0.000 0.227 4251 L C 0.473 177.233 176.870 -0.182 0.000 1.127 4251 L CA 0.057 54.819 54.840 -0.131 0.000 0.884 4251 L CB -0.172 41.825 42.059 -0.104 0.000 1.065 4251 L HN 0.086 nan 8.230 nan 0.000 0.457 4252 T N 0.701 115.142 114.554 -0.190 0.000 4.578 4252 T HA -0.013 4.337 4.350 -0.000 0.000 0.236 4252 T C 1.606 176.155 174.700 -0.252 0.000 1.038 4252 T CA 0.506 62.444 62.100 -0.269 0.000 1.067 4252 T CB -0.051 68.656 68.868 -0.268 0.000 1.390 4252 T HN 0.478 nan 8.240 nan 0.000 1.076 4253 S N 1.288 116.834 115.700 -0.257 0.000 2.441 4253 S HA -0.224 4.246 4.470 -0.000 0.000 0.249 4253 S C 2.118 176.586 174.600 -0.221 0.000 1.097 4253 S CA 1.715 59.770 58.200 -0.241 0.000 1.080 4253 S CB -0.909 62.116 63.200 -0.291 0.000 0.914 4253 S HN 0.487 nan 8.310 nan 0.000 0.464 4254 V N 1.108 120.880 119.914 -0.238 0.000 2.568 4254 V HA -0.034 4.086 4.120 -0.000 0.000 0.253 4254 V C 2.013 178.012 176.094 -0.158 0.000 1.072 4254 V CA 2.066 64.250 62.300 -0.192 0.000 1.084 4254 V CB -0.490 31.220 31.823 -0.188 0.000 0.676 4254 V HN 0.681 nan 8.190 nan 0.000 0.469 4255 L N -0.662 120.461 121.223 -0.166 0.000 2.585 4255 L HA 0.228 4.568 4.340 -0.000 0.000 0.226 4255 L C 0.224 177.002 176.870 -0.154 0.000 1.113 4255 L CA -0.075 54.669 54.840 -0.161 0.000 0.876 4255 L CB 0.640 42.613 42.059 -0.143 0.000 1.072 4255 L HN 0.078 nan 8.230 nan 0.000 0.468 4256 V N 1.286 121.114 119.914 -0.143 0.000 2.378 4256 V HA 0.247 4.367 4.120 -0.000 0.000 0.288 4256 V C -0.083 175.943 176.094 -0.113 0.000 1.016 4256 V CA -0.920 61.307 62.300 -0.121 0.000 0.840 4256 V CB 1.550 33.300 31.823 -0.122 0.000 0.994 4256 V HN 0.045 nan 8.190 nan 0.000 0.431 4257 K N 4.758 125.101 120.400 -0.096 0.000 2.310 4257 K HA 0.322 4.641 4.320 -0.000 0.000 0.290 4257 K C -0.248 176.309 176.600 -0.073 0.000 1.077 4257 K CA -0.537 55.702 56.287 -0.081 0.000 0.922 4257 K CB 0.982 33.439 32.500 -0.071 0.000 1.057 4257 K HN 0.623 nan 8.250 nan 0.000 0.479 4258 K N 0.679 121.037 120.400 -0.070 0.000 2.164 4258 K HA 0.751 5.071 4.320 -0.000 0.000 0.258 4258 K C 0.466 177.040 176.600 -0.042 0.000 0.951 4258 K CA -0.722 55.529 56.287 -0.060 0.000 0.844 4258 K CB 1.395 33.853 32.500 -0.069 0.000 1.099 4258 K HN 0.636 nan 8.250 nan 0.000 0.435 4259 G N 0.875 109.654 108.800 -0.036 0.000 2.610 4259 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.304 4259 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.304 4259 G C -1.510 173.373 174.900 -0.028 0.000 1.309 4259 G CA -0.491 44.594 45.100 -0.024 0.000 0.906 4259 G HN 0.874 nan 8.290 nan 0.000 0.521 4260 D N -0.049 120.338 120.400 -0.021 0.000 2.358 4260 D HA 0.345 4.985 4.640 -0.000 0.000 0.258 4260 D C 1.763 178.045 176.300 -0.031 0.000 1.223 4260 D CA 0.705 54.690 54.000 -0.025 0.000 0.886 4260 D CB 1.192 41.983 40.800 -0.014 0.000 1.120 4260 D HN 1.306 nan 8.370 nan 0.000 0.482 4261 V N 2.042 121.926 119.914 -0.050 0.000 3.608 4261 V HA 0.112 4.232 4.120 -0.000 0.000 0.269 4261 V C 2.015 178.064 176.094 -0.075 0.000 1.245 4261 V CA 0.328 62.589 62.300 -0.066 0.000 1.138 4261 V CB -0.265 31.498 31.823 -0.099 0.000 0.841 4261 V HN 0.289 nan 8.190 nan 0.000 0.451 4262 K N 2.095 122.460 120.400 -0.058 0.000 2.074 4262 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 4262 K C -0.157 176.429 176.600 -0.023 0.000 1.048 4262 K CA 2.410 58.669 56.287 -0.047 0.000 0.926 4262 K CB -1.625 30.862 32.500 -0.023 0.000 0.713 4262 K HN 0.449 nan 8.250 nan 0.000 0.444 4263 P HA -0.151 nan 4.420 nan 0.000 0.216 4263 P C 1.370 178.680 177.300 0.017 0.000 1.150 4263 P CA 0.969 64.072 63.100 0.006 0.000 0.837 4263 P CB 0.042 31.746 31.700 0.006 0.000 0.786 4264 L N -0.836 120.394 121.223 0.011 0.000 2.027 4264 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 4264 L C 2.193 179.102 176.870 0.064 0.000 1.074 4264 L CA 1.771 56.636 54.840 0.042 0.000 0.745 4264 L CB -0.937 41.144 42.059 0.036 0.000 0.898 4264 L HN -0.046 nan 8.230 nan 0.000 0.433 4265 A N -0.196 122.623 122.820 -0.002 0.000 1.927 4265 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 4265 A C 2.033 179.721 177.584 0.174 0.000 1.185 4265 A CA 2.198 54.249 52.037 0.023 0.000 0.639 4265 A CB -0.589 18.294 19.000 -0.196 0.000 0.820 4265 A HN 0.604 nan 8.150 nan 0.000 0.451 4266 E N -0.698 119.555 120.200 0.089 0.000 2.072 4266 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 4266 E C 2.319 178.962 176.600 0.073 0.000 0.982 4266 E CA 1.168 57.615 56.400 0.080 0.000 0.803 4266 E CB -0.197 29.530 29.700 0.045 0.000 0.755 4266 E HN 0.754 nan 8.360 nan 0.000 0.453 4267 Q N 0.238 120.077 119.800 0.065 0.000 2.181 4267 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 4267 Q C 2.177 178.215 176.000 0.062 0.000 0.980 4267 Q CA 1.017 56.849 55.803 0.049 0.000 0.862 4267 Q CB -0.073 28.689 28.738 0.039 0.000 0.905 4267 Q HN 0.383 nan 8.270 nan 0.000 0.429 4268 I N 0.309 120.950 120.570 0.118 0.000 2.333 4268 I HA -0.178 3.992 4.170 -0.000 0.000 0.246 4268 I C 2.440 178.592 176.117 0.059 0.000 1.106 4268 I CA 0.660 62.036 61.300 0.127 0.000 1.411 4268 I CB -0.411 37.740 38.000 0.252 0.000 1.082 4268 I HN 0.124 nan 8.210 nan 0.000 0.420 4269 A N 1.454 124.320 122.820 0.076 0.000 1.883 4269 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 4269 A C 2.294 179.878 177.584 0.000 0.000 1.186 4269 A CA 1.604 53.648 52.037 0.010 0.000 0.624 4269 A CB -0.883 18.145 19.000 0.047 0.000 0.822 4269 A HN 0.374 nan 8.150 nan 0.000 0.444 4270 I N -0.478 120.102 120.570 0.016 0.000 2.286 4270 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 4270 I C 2.374 178.488 176.117 -0.005 0.000 1.115 4270 I CA 1.696 62.999 61.300 0.005 0.000 1.392 4270 I CB -0.596 37.410 38.000 0.009 0.000 1.065 4270 I HN 0.254 nan 8.210 nan 0.000 0.418 4271 T N 0.613 115.165 114.554 -0.004 0.000 2.915 4271 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 4271 T C 1.849 176.537 174.700 -0.019 0.000 1.071 4271 T CA 1.246 63.338 62.100 -0.014 0.000 1.132 4271 T CB -0.100 68.757 68.868 -0.019 0.000 0.878 4271 T HN 0.466 nan 8.240 nan 0.000 0.479 4272 A N 0.415 123.220 122.820 -0.025 0.000 2.169 4272 A HA 0.520 4.840 4.320 -0.000 0.000 0.212 4272 A C 1.675 179.239 177.584 -0.033 0.000 1.153 4272 A CA 0.692 52.706 52.037 -0.038 0.000 0.756 4272 A CB -0.465 18.492 19.000 -0.070 0.000 0.813 4272 A HN 0.728 nan 8.150 nan 0.000 0.471 4273 G N -1.575 107.210 108.800 -0.025 0.000 2.255 4273 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.239 4273 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.239 4273 G C -0.127 174.760 174.900 -0.021 0.000 1.083 4273 G CA -0.127 44.961 45.100 -0.020 0.000 0.826 4273 G HN 0.585 nan 8.290 nan 0.000 0.493 4274 c N -0.055 118.533 118.600 -0.021 0.000 2.562 4274 c HA 0.749 5.319 4.570 -0.000 0.000 0.332 4274 c C 0.932 175.021 174.090 -0.003 0.000 1.201 4274 c CA -0.950 55.368 56.329 -0.018 0.000 1.803 4274 c CB 1.643 44.133 42.510 -0.033 0.000 2.328 4274 c HN 0.604 nan 8.230 nan 0.000 0.500 4275 K N 0.434 120.836 120.400 0.005 0.000 2.120 4275 K HA 0.405 4.725 4.320 -0.000 0.000 0.245 4275 K C 0.572 177.182 176.600 0.017 0.000 1.024 4275 K CA 0.121 56.414 56.287 0.011 0.000 0.906 4275 K CB 0.399 32.907 32.500 0.014 0.000 1.051 4275 K HN 0.863 nan 8.250 nan 0.000 0.491 4276 T N -3.373 111.192 114.554 0.018 0.000 3.337 4276 T HA 0.061 4.411 4.350 -0.000 0.000 0.299 4276 T C 1.080 175.793 174.700 0.021 0.000 0.998 4276 T CA -0.412 61.703 62.100 0.026 0.000 0.948 4276 T CB 0.043 68.928 68.868 0.028 0.000 1.170 4276 T HN 0.434 nan 8.240 nan 0.000 0.508 4277 T N 3.071 117.633 114.554 0.015 0.000 2.620 4277 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 4277 T C 1.215 175.920 174.700 0.008 0.000 1.044 4277 T CA 2.219 64.324 62.100 0.009 0.000 1.161 4277 T CB -0.521 68.349 68.868 0.003 0.000 0.862 4277 T HN 0.881 nan 8.240 nan 0.000 0.438 4278 T N -2.587 111.970 114.554 0.005 0.000 2.812 4278 T HA 0.524 4.873 4.350 -0.000 0.000 0.294 4278 T C 0.980 175.686 174.700 0.011 0.000 1.159 4278 T CA -0.365 61.736 62.100 0.002 0.000 1.008 4278 T CB 1.717 70.567 68.868 -0.030 0.000 1.289 4278 T HN -0.145 nan 8.240 nan 0.000 0.514 4279 S N 0.236 115.952 115.700 0.026 0.000 2.355 4279 S HA 0.007 4.477 4.470 -0.000 0.000 0.222 4279 S C 2.495 177.099 174.600 0.006 0.000 1.031 4279 S CA 1.302 59.544 58.200 0.069 0.000 0.993 4279 S CB -1.009 62.293 63.200 0.169 0.000 0.859 4279 S HN 0.926 nan 8.310 nan 0.000 0.453 4280 A N 1.109 123.796 122.820 -0.222 0.000 1.908 4280 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 4280 A C 2.323 179.866 177.584 -0.069 0.000 1.181 4280 A CA 1.675 53.523 52.037 -0.314 0.000 0.627 4280 A CB -0.931 17.711 19.000 -0.596 0.000 0.818 4280 A HN 0.354 nan 8.150 nan 0.000 0.445 4281 V N -0.256 119.631 119.914 -0.044 0.000 2.427 4281 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 4281 V C 2.617 178.748 176.094 0.062 0.000 1.051 4281 V CA 2.097 64.413 62.300 0.026 0.000 1.048 4281 V CB -0.662 31.166 31.823 0.009 0.000 0.666 4281 V HN 0.570 nan 8.190 nan 0.000 0.456 4282 M N -0.584 119.046 119.600 0.051 0.000 2.065 4282 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 4282 M C 2.237 178.545 176.300 0.013 0.000 1.069 4282 M CA 1.810 57.142 55.300 0.052 0.000 1.110 4282 M CB -0.516 32.159 32.600 0.124 0.000 1.328 4282 M HN 0.248 nan 8.290 nan 0.000 0.405 4283 V N -0.640 119.316 119.914 0.070 0.000 2.343 4283 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 4283 V C 2.249 178.392 176.094 0.082 0.000 1.051 4283 V CA 2.342 64.673 62.300 0.051 0.000 1.036 4283 V CB -1.119 30.801 31.823 0.161 0.000 0.654 4283 V HN 0.499 nan 8.190 nan 0.000 0.451 4284 H N -0.724 118.354 119.070 0.012 0.000 2.353 4284 H HA -0.200 4.356 4.556 -0.000 0.000 0.300 4284 H C 2.337 177.665 175.328 -0.001 0.000 1.090 4284 H CA 2.224 58.278 56.048 0.009 0.000 1.327 4284 H CB -0.564 29.192 29.762 -0.010 0.000 1.383 4284 H HN 0.466 nan 8.280 nan 0.000 0.508 4285 c N -0.173 118.382 118.600 -0.075 0.000 2.462 4285 c HA -0.042 4.528 4.570 -0.000 0.000 0.278 4285 c C 2.779 176.788 174.090 -0.134 0.000 1.253 4285 c CA 0.862 57.114 56.329 -0.127 0.000 1.713 4285 c CB -1.397 41.087 42.510 -0.044 0.000 2.049 4285 c HN 0.661 nan 8.230 nan 0.000 0.477 4286 L N 0.428 121.579 121.223 -0.120 0.000 2.127 4286 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 4286 L C 2.937 179.805 176.870 -0.004 0.000 1.089 4286 L CA 1.386 56.161 54.840 -0.108 0.000 0.757 4286 L CB -0.690 41.203 42.059 -0.278 0.000 0.899 4286 L HN 0.371 nan 8.230 nan 0.000 0.434 4287 R N -0.273 120.232 120.500 0.009 0.000 2.237 4287 R HA -0.107 4.233 4.340 -0.000 0.000 0.219 4287 R C 1.672 177.896 176.300 -0.127 0.000 1.080 4287 R CA 0.755 56.826 56.100 -0.048 0.000 0.995 4287 R CB -0.020 30.264 30.300 -0.026 0.000 0.875 4287 R HN 0.552 nan 8.270 nan 0.000 0.462 4288 Q N -0.143 119.560 119.800 -0.161 0.000 2.282 4288 Q HA 0.088 4.428 4.340 -0.000 0.000 0.206 4288 Q C -0.077 175.866 176.000 -0.094 0.000 0.878 4288 Q CA 0.103 55.818 55.803 -0.147 0.000 0.944 4288 Q CB 0.699 29.314 28.738 -0.205 0.000 1.100 4288 Q HN -0.010 nan 8.270 nan 0.000 0.509 4289 K N 1.946 122.296 120.400 -0.084 0.000 2.168 4289 K HA 0.141 4.461 4.320 -0.000 0.000 0.258 4289 K C 0.555 177.138 176.600 -0.028 0.000 1.010 4289 K CA 0.121 56.374 56.287 -0.057 0.000 0.929 4289 K CB 0.746 33.205 32.500 -0.069 0.000 0.998 4289 K HN 0.094 nan 8.250 nan 0.000 0.479 4290 T N -2.899 111.656 114.554 0.001 0.000 2.881 4290 T HA 0.111 4.461 4.350 -0.000 0.000 0.278 4290 T C 1.291 176.052 174.700 0.102 0.000 0.982 4290 T CA -0.654 61.466 62.100 0.033 0.000 0.989 4290 T CB 1.293 70.176 68.868 0.024 0.000 1.058 4290 T HN 0.630 nan 8.240 nan 0.000 0.529 4291 E N 0.534 120.819 120.200 0.142 0.000 2.085 4291 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 4291 E C 1.748 178.498 176.600 0.249 0.000 0.994 4291 E CA 1.634 58.196 56.400 0.270 0.000 0.801 4291 E CB -0.106 29.656 29.700 0.103 0.000 0.743 4291 E HN 0.809 nan 8.360 nan 0.000 0.453 4292 E N 0.362 120.636 120.200 0.124 0.000 2.110 4292 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 4292 E C 2.100 178.760 176.600 0.100 0.000 0.988 4292 E CA 1.158 57.617 56.400 0.098 0.000 0.804 4292 E CB -0.117 29.613 29.700 0.050 0.000 0.745 4292 E HN 0.463 nan 8.360 nan 0.000 0.458 4293 E N 0.892 121.138 120.200 0.077 0.000 2.072 4293 E HA -0.113 4.236 4.350 -0.000 0.000 0.191 4293 E C 2.255 178.882 176.600 0.046 0.000 0.985 4293 E CA 0.648 57.075 56.400 0.045 0.000 0.801 4293 E CB -0.050 29.658 29.700 0.014 0.000 0.750 4293 E HN 0.244 nan 8.360 nan 0.000 0.452 4294 L N 0.636 121.899 121.223 0.067 0.000 2.217 4294 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 4294 L C 2.454 179.391 176.870 0.110 0.000 1.107 4294 L CA 0.173 54.989 54.840 -0.040 0.000 0.783 4294 L CB -0.155 41.723 42.059 -0.302 0.000 0.919 4294 L HN 0.173 nan 8.230 nan 0.000 0.442 4295 L N -0.270 121.144 121.223 0.319 0.000 2.109 4295 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 4295 L C 2.344 179.324 176.870 0.185 0.000 1.086 4295 L CA 1.682 56.731 54.840 0.349 0.000 0.760 4295 L CB -0.414 41.806 42.059 0.268 0.000 0.910 4295 L HN 0.177 nan 8.230 nan 0.000 0.437 4296 E N -0.983 119.287 120.200 0.117 0.000 2.106 4296 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 4296 E C 1.908 178.541 176.600 0.054 0.000 0.984 4296 E CA 1.655 58.097 56.400 0.070 0.000 0.806 4296 E CB -0.146 29.580 29.700 0.043 0.000 0.750 4296 E HN 0.542 nan 8.360 nan 0.000 0.458 4297 T N 0.693 115.275 114.554 0.047 0.000 2.746 4297 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 4297 T C 2.013 176.753 174.700 0.067 0.000 1.039 4297 T CA 1.607 63.723 62.100 0.026 0.000 1.142 4297 T CB -0.380 68.486 68.868 -0.003 0.000 0.866 4297 T HN 0.159 nan 8.240 nan 0.000 0.444 4298 T N 2.358 117.000 114.554 0.148 0.000 2.684 4298 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 4298 T C 1.832 176.646 174.700 0.191 0.000 1.036 4298 T CA 0.863 63.142 62.100 0.299 0.000 1.148 4298 T CB -0.395 68.686 68.868 0.356 0.000 0.863 4298 T HN 0.075 nan 8.240 nan 0.000 0.436 4299 L N 0.947 122.242 121.223 0.119 0.000 2.056 4299 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 4299 L C 2.330 179.188 176.870 -0.021 0.000 1.078 4299 L CA 1.628 56.504 54.840 0.059 0.000 0.749 4299 L CB -0.629 41.464 42.059 0.057 0.000 0.901 4299 L HN 0.199 nan 8.230 nan 0.000 0.433 4300 K N -1.342 119.036 120.400 -0.036 0.000 2.148 4300 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 4300 K C 1.908 178.411 176.600 -0.161 0.000 1.050 4300 K CA 0.903 57.146 56.287 -0.074 0.000 0.942 4300 K CB -0.139 32.330 32.500 -0.052 0.000 0.724 4300 K HN 0.223 nan 8.250 nan 0.000 0.446 4301 M N 0.830 120.263 119.600 -0.277 0.000 2.460 4301 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 4301 M C 0.092 176.019 176.300 -0.621 0.000 1.071 4301 M CA 1.013 55.972 55.300 -0.569 0.000 1.096 4301 M CB -0.586 31.346 32.600 -1.112 0.000 1.408 4301 M HN 0.055 nan 8.290 nan 0.000 0.463 4302 K N 0.847 121.015 120.400 -0.387 0.000 3.419 4302 K HA -0.183 4.137 4.320 -0.000 0.000 0.272 4302 K C -0.639 175.858 176.600 -0.172 0.000 0.973 4302 K CA 0.098 56.264 56.287 -0.202 0.000 0.749 4302 K CB -1.857 30.563 32.500 -0.134 0.000 1.403 4302 K HN 0.161 nan 8.250 nan 0.000 0.456 4303 F N 0.348 120.317 119.950 0.032 0.000 2.390 4303 F HA 0.208 4.734 4.527 -0.000 0.000 0.307 4303 F C 2.071 177.889 175.800 0.030 0.000 1.227 4303 F CA -0.302 57.718 58.000 0.033 0.000 1.179 4303 F CB 0.358 39.388 39.000 0.049 0.000 1.280 4303 F HN 0.128 nan 8.300 nan 0.000 0.548 4304 L N 0.181 121.553 121.223 0.249 0.000 3.976 4304 L HA -0.272 4.068 4.340 -0.000 0.000 0.418 4304 L C -0.233 176.699 176.870 0.104 0.000 1.177 4304 L CA 0.396 55.322 54.840 0.143 0.000 0.968 4304 L CB -1.861 40.271 42.059 0.122 0.000 1.933 4304 L HN 0.550 nan 8.230 nan 0.000 0.976 4305 S N -0.076 115.679 115.700 0.091 0.000 2.571 4305 S HA 0.619 5.089 4.470 -0.000 0.000 0.284 4305 S C -0.594 174.029 174.600 0.039 0.000 1.128 4305 S CA -0.738 57.495 58.200 0.056 0.000 0.970 4305 S CB 1.871 65.086 63.200 0.025 0.000 1.039 4305 S HN 0.224 nan 8.310 nan 0.000 0.485 4306 L N 4.902 126.142 121.223 0.028 0.000 2.385 4306 L HA 0.383 4.723 4.340 -0.000 0.000 0.281 4306 L C -0.606 176.223 176.870 -0.069 0.000 1.106 4306 L CA 0.252 55.074 54.840 -0.029 0.000 0.856 4306 L CB 0.237 42.216 42.059 -0.134 0.000 1.186 4306 L HN 0.572 nan 8.230 nan 0.000 0.453 4307 D N 6.080 126.443 120.400 -0.062 0.000 2.358 4307 D HA 0.040 4.680 4.640 -0.000 0.000 0.258 4307 D C 1.248 177.496 176.300 -0.087 0.000 1.223 4307 D CA 0.078 54.037 54.000 -0.069 0.000 0.886 4307 D CB 1.371 42.132 40.800 -0.066 0.000 1.120 4307 D HN 0.579 nan 8.370 nan 0.000 0.482 4308 L N 1.295 122.472 121.223 -0.078 0.000 2.072 4308 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 4308 L C 1.616 178.451 176.870 -0.059 0.000 1.079 4308 L CA 1.018 55.813 54.840 -0.074 0.000 0.752 4308 L CB -0.245 41.778 42.059 -0.060 0.000 0.906 4308 L HN 0.429 nan 8.230 nan 0.000 0.436 4309 Q N 0.193 119.963 119.800 -0.050 0.000 2.286 4309 Q HA 0.569 4.909 4.340 -0.000 0.000 0.250 4309 Q C 0.194 176.165 176.000 -0.047 0.000 1.021 4309 Q CA 0.041 55.822 55.803 -0.037 0.000 0.930 4309 Q CB 1.830 30.554 28.738 -0.024 0.000 1.266 4309 Q HN 0.143 nan 8.270 nan 0.000 0.491 4310 G N 0.595 109.376 108.800 -0.031 0.000 2.728 4310 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.294 4310 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.294 4310 G C -1.154 173.714 174.900 -0.053 0.000 1.342 4310 G CA -0.173 44.906 45.100 -0.035 0.000 0.866 4310 G HN 0.854 nan 8.290 nan 0.000 0.534 4311 D N 0.872 121.239 120.400 -0.055 0.000 2.338 4311 D HA 0.340 4.980 4.640 -0.000 0.000 0.255 4311 D C -0.786 175.391 176.300 -0.205 0.000 1.237 4311 D CA -1.387 52.564 54.000 -0.083 0.000 0.883 4311 D CB 1.155 41.935 40.800 -0.033 0.000 1.087 4311 D HN 0.010 nan 8.370 nan 0.000 0.485 4312 P HA -0.140 nan 4.420 nan 0.000 0.217 4312 P C 1.008 178.057 177.300 -0.418 0.000 1.148 4312 P CA 1.140 63.920 63.100 -0.534 0.000 0.828 4312 P CB 0.221 31.255 31.700 -1.110 0.000 0.783 4313 R N -0.675 119.520 120.500 -0.508 0.000 2.237 4313 R HA -0.057 4.283 4.340 -0.000 0.000 0.219 4313 R C 1.651 177.892 176.300 -0.099 0.000 1.080 4313 R CA 0.744 56.632 56.100 -0.353 0.000 0.995 4313 R CB -0.362 29.720 30.300 -0.362 0.000 0.875 4313 R HN 0.238 nan 8.270 nan 0.000 0.462 4314 E N 0.559 120.699 120.200 -0.100 0.000 2.447 4314 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 4314 E C 0.150 176.732 176.600 -0.030 0.000 1.028 4314 E CA 0.291 56.663 56.400 -0.046 0.000 0.876 4314 E CB 0.479 30.152 29.700 -0.045 0.000 0.885 4314 E HN 0.195 nan 8.360 nan 0.000 0.500 4315 S N 1.030 116.704 115.700 -0.043 0.000 2.499 4315 S HA 0.346 4.816 4.470 -0.000 0.000 0.275 4315 S C 0.095 174.706 174.600 0.017 0.000 1.257 4315 S CA -0.657 57.528 58.200 -0.025 0.000 1.050 4315 S CB 1.473 64.645 63.200 -0.047 0.000 0.937 4315 S HN -0.156 nan 8.310 nan 0.000 0.490 4316 Q N 3.328 123.152 119.800 0.040 0.000 2.398 4316 Q HA 0.358 4.698 4.340 -0.000 0.000 0.251 4316 Q C -1.388 174.711 176.000 0.166 0.000 0.999 4316 Q CA -2.207 53.656 55.803 0.099 0.000 0.874 4316 Q CB 1.546 30.369 28.738 0.143 0.000 1.215 4316 Q HN 0.553 nan 8.270 nan 0.000 0.470 4317 P HA -0.103 nan 4.420 nan 0.000 0.217 4317 P C -0.422 177.034 177.300 0.260 0.000 1.151 4317 P CA 0.933 64.128 63.100 0.159 0.000 0.828 4317 P CB 0.388 32.131 31.700 0.071 0.000 0.788 4318 L N -5.029 116.290 121.223 0.161 0.000 2.999 4318 L HA 0.449 4.789 4.340 -0.000 0.000 0.274 4318 L C -1.293 175.476 176.870 -0.169 0.000 1.044 4318 L CA -1.359 53.433 54.840 -0.079 0.000 0.943 4318 L CB 0.374 42.354 42.059 -0.131 0.000 1.522 4318 L HN -0.336 nan 8.230 nan 0.000 0.400 4319 L N 0.810 121.822 121.223 -0.352 0.000 2.276 4319 L HA 0.908 5.248 4.340 -0.000 0.000 0.286 4319 L C 0.635 177.344 176.870 -0.269 0.000 1.061 4319 L CA 0.135 54.862 54.840 -0.188 0.000 0.807 4319 L CB 0.868 42.864 42.059 -0.104 0.000 1.177 4319 L HN 1.001 nan 8.230 nan 0.000 0.429 4320 G N 1.278 109.931 108.800 -0.245 0.000 3.166 4320 G HA2 0.412 4.372 3.960 -0.000 0.000 0.267 4320 G HA3 0.412 4.372 3.960 -0.000 0.000 0.267 4320 G C -0.830 173.926 174.900 -0.241 0.000 1.256 4320 G CA -0.429 44.398 45.100 -0.455 0.000 0.859 4320 G HN 0.367 nan 8.290 nan 0.000 0.590 4321 T N 0.482 114.934 114.554 -0.169 0.000 2.940 4321 T HA 0.426 4.776 4.350 -0.000 0.000 0.309 4321 T C 0.499 175.197 174.700 -0.005 0.000 1.056 4321 T CA 0.510 62.653 62.100 0.070 0.000 1.137 4321 T CB 0.881 69.807 68.868 0.098 0.000 0.976 4321 T HN 1.241 nan 8.240 nan 0.000 0.547 4322 V N 0.080 119.995 119.914 0.002 0.000 3.158 4322 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 4322 V C -0.904 175.151 176.094 -0.064 0.000 1.181 4322 V CA -1.317 60.952 62.300 -0.052 0.000 1.054 4322 V CB 1.897 33.674 31.823 -0.077 0.000 1.085 4322 V HN 0.582 nan 8.190 nan 0.000 0.446 4323 I N 3.257 123.785 120.570 -0.072 0.000 2.276 4323 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 4323 I C 0.516 176.588 176.117 -0.075 0.000 1.109 4323 I CA -0.049 61.209 61.300 -0.070 0.000 1.229 4323 I CB 0.082 38.047 38.000 -0.060 0.000 1.452 4323 I HN 0.967 nan 8.210 nan 0.000 0.497 4324 D N 3.303 123.651 120.400 -0.086 0.000 2.354 4324 D HA 0.064 4.704 4.640 -0.000 0.000 0.209 4324 D C 1.416 177.674 176.300 -0.070 0.000 1.015 4324 D CA 0.801 54.743 54.000 -0.096 0.000 0.867 4324 D CB 0.523 41.236 40.800 -0.146 0.000 0.933 4324 D HN 0.666 nan 8.370 nan 0.000 0.520 4325 G N 0.008 108.774 108.800 -0.056 0.000 2.176 4325 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 4325 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 4325 G C 0.938 175.818 174.900 -0.032 0.000 0.979 4325 G CA 0.714 45.790 45.100 -0.039 0.000 0.641 4325 G HN 0.248 nan 8.290 nan 0.000 0.530 4326 M N -1.344 118.231 119.600 -0.040 0.000 3.101 4326 M HA 0.452 4.932 4.480 -0.000 0.000 0.236 4326 M C 2.275 178.556 176.300 -0.031 0.000 1.538 4326 M CA 1.061 56.345 55.300 -0.026 0.000 1.309 4326 M CB -1.263 31.326 32.600 -0.019 0.000 1.141 4326 M HN 0.221 nan 8.290 nan 0.000 0.579 4327 L N 0.600 121.794 121.223 -0.049 0.000 2.049 4327 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 4327 L C 0.338 177.165 176.870 -0.072 0.000 1.074 4327 L CA 1.352 56.157 54.840 -0.058 0.000 0.749 4327 L CB 0.174 42.190 42.059 -0.071 0.000 0.907 4327 L HN 0.107 nan 8.230 nan 0.000 0.439 4328 L N 0.009 121.187 121.223 -0.076 0.000 2.325 4328 L HA 0.249 4.589 4.340 -0.000 0.000 0.281 4328 L C 0.401 177.240 176.870 -0.053 0.000 1.004 4328 L CA -0.377 54.419 54.840 -0.074 0.000 0.823 4328 L CB 1.861 43.865 42.059 -0.093 0.000 1.236 4328 L HN 0.122 nan 8.230 nan 0.000 0.415 4329 L N 2.224 123.425 121.223 -0.037 0.000 2.307 4329 L HA 0.134 4.474 4.340 -0.000 0.000 0.211 4329 L C 0.610 177.465 176.870 -0.025 0.000 1.099 4329 L CA 0.915 55.739 54.840 -0.025 0.000 0.816 4329 L CB -0.155 41.897 42.059 -0.011 0.000 0.952 4329 L HN 0.608 nan 8.230 nan 0.000 0.455 4330 K N -1.195 119.189 120.400 -0.026 0.000 2.318 4330 K HA 0.414 4.734 4.320 -0.000 0.000 0.265 4330 K C -0.444 176.134 176.600 -0.037 0.000 1.055 4330 K CA -0.705 55.567 56.287 -0.025 0.000 0.896 4330 K CB 0.880 33.375 32.500 -0.009 0.000 1.479 4330 K HN -0.174 nan 8.250 nan 0.000 0.449 4331 T N -1.700 112.832 114.554 -0.036 0.000 2.860 4331 T HA 0.121 4.471 4.350 -0.000 0.000 0.299 4331 T C -2.006 172.666 174.700 -0.048 0.000 1.045 4331 T CA -1.173 60.897 62.100 -0.049 0.000 1.071 4331 T CB 0.691 69.530 68.868 -0.048 0.000 0.985 4331 T HN 0.149 nan 8.240 nan 0.000 0.537 4332 P HA -0.072 nan 4.420 nan 0.000 0.215 4332 P C 1.352 178.631 177.300 -0.034 0.000 1.153 4332 P CA 1.041 64.101 63.100 -0.067 0.000 0.853 4332 P CB 0.012 31.659 31.700 -0.087 0.000 0.788 4333 E N -0.097 120.083 120.200 -0.033 0.000 2.130 4333 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 4333 E C 1.865 178.472 176.600 0.012 0.000 0.998 4333 E CA 1.412 57.805 56.400 -0.012 0.000 0.806 4333 E CB -0.778 28.907 29.700 -0.025 0.000 0.738 4333 E HN 0.469 nan 8.360 nan 0.000 0.459 4334 E N -0.069 120.135 120.200 0.007 0.000 2.158 4334 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 4334 E C 1.994 178.624 176.600 0.049 0.000 0.982 4334 E CA 0.445 56.859 56.400 0.023 0.000 0.823 4334 E CB -0.033 29.673 29.700 0.010 0.000 0.766 4334 E HN 0.231 nan 8.360 nan 0.000 0.468 4335 L N 0.930 122.180 121.223 0.045 0.000 2.217 4335 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 4335 L C 2.334 179.319 176.870 0.192 0.000 1.107 4335 L CA 0.949 55.842 54.840 0.088 0.000 0.783 4335 L CB -0.227 41.843 42.059 0.018 0.000 0.919 4335 L HN 0.163 nan 8.230 nan 0.000 0.442 4336 Q N -0.047 119.843 119.800 0.151 0.000 1.994 4336 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 4336 Q C 2.463 178.611 176.000 0.246 0.000 0.976 4336 Q CA 1.389 57.345 55.803 0.254 0.000 0.828 4336 Q CB -0.286 28.543 28.738 0.152 0.000 0.894 4336 Q HN 0.490 nan 8.270 nan 0.000 0.432 4337 A N 1.140 124.043 122.820 0.139 0.000 2.131 4337 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 4337 A C 1.792 179.424 177.584 0.080 0.000 1.158 4337 A CA 1.485 53.578 52.037 0.094 0.000 0.665 4337 A CB -0.440 18.598 19.000 0.063 0.000 0.795 4337 A HN 0.387 nan 8.150 nan 0.000 0.460 4338 E N -0.887 119.379 120.200 0.109 0.000 2.274 4338 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 4338 E C 0.346 176.959 176.600 0.021 0.000 0.996 4338 E CA 0.280 56.725 56.400 0.076 0.000 0.840 4338 E CB 0.035 29.800 29.700 0.108 0.000 0.772 4338 E HN 0.392 nan 8.360 nan 0.000 0.491 4339 R N -0.239 120.264 120.500 0.006 0.000 3.946 4339 R HA -0.233 4.107 4.340 -0.000 0.000 0.329 4339 R C -0.584 175.490 176.300 -0.377 0.000 1.209 4339 R CA 1.029 56.983 56.100 -0.243 0.000 0.909 4339 R CB -2.868 27.340 30.300 -0.153 0.000 1.355 4339 R HN 0.176 nan 8.270 nan 0.000 0.539 4340 N N 0.632 119.237 118.700 -0.157 0.000 2.678 4340 N HA 0.421 5.161 4.740 -0.000 0.000 0.231 4340 N C -1.037 174.558 175.510 0.143 0.000 1.038 4340 N CA -0.467 52.549 53.050 -0.056 0.000 0.932 4340 N CB 0.319 38.833 38.487 0.044 0.000 1.176 4340 N HN 0.210 nan 8.380 nan 0.000 0.511 4341 F N -0.899 119.078 119.950 0.046 0.000 2.822 4341 F HA 0.197 4.724 4.527 -0.000 0.000 0.323 4341 F C -0.980 174.902 175.800 0.137 0.000 1.133 4341 F CA -1.511 56.543 58.000 0.090 0.000 0.941 4341 F CB 0.015 39.086 39.000 0.118 0.000 1.263 4341 F HN 0.317 nan 8.300 nan 0.000 0.451 4342 H N -0.142 119.039 119.070 0.185 0.000 2.964 4342 H HA 0.539 5.095 4.556 -0.000 0.000 0.328 4342 H C -0.253 175.180 175.328 0.175 0.000 1.030 4342 H CA 0.035 56.123 56.048 0.066 0.000 1.445 4342 H CB 0.949 30.698 29.762 -0.021 0.000 1.449 4342 H HN 0.798 nan 8.280 nan 0.000 0.581 4343 T N 2.532 117.076 114.554 -0.016 0.000 2.799 4343 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 4343 T C 0.252 174.906 174.700 -0.078 0.000 0.973 4343 T CA -0.560 61.532 62.100 -0.013 0.000 1.035 4343 T CB 1.130 69.933 68.868 -0.108 0.000 0.932 4343 T HN 0.716 nan 8.240 nan 0.000 0.469 4344 V N -0.385 119.546 119.914 0.028 0.000 3.040 4344 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 4344 V C -3.173 173.076 176.094 0.258 0.000 1.115 4344 V CA -3.450 58.863 62.300 0.022 0.000 0.998 4344 V CB 1.555 33.307 31.823 -0.118 0.000 1.042 4344 V HN 0.592 nan 8.190 nan 0.000 0.433 4345 P HA 0.188 nan 4.420 nan 0.000 0.265 4345 P C -1.473 176.126 177.300 0.498 0.000 1.193 4345 P CA 0.552 63.854 63.100 0.336 0.000 0.765 4345 P CB -0.072 31.683 31.700 0.092 0.000 0.823 4346 Y N 3.233 123.750 120.300 0.361 0.000 2.421 4346 Y HA 0.539 5.089 4.550 -0.000 0.000 0.339 4346 Y C -0.873 175.063 175.900 0.060 0.000 0.996 4346 Y CA -1.505 56.660 58.100 0.108 0.000 1.046 4346 Y CB 1.629 39.783 38.460 -0.511 0.000 1.226 4346 Y HN 0.208 nan 8.280 nan 0.000 0.445 4347 M N 8.063 127.688 119.600 0.041 0.000 2.125 4347 M HA 0.548 5.028 4.480 -0.000 0.000 0.321 4347 M C -2.245 173.838 176.300 -0.362 0.000 0.983 4347 M CA -0.681 54.390 55.300 -0.381 0.000 0.934 4347 M CB 0.941 32.971 32.600 -0.950 0.000 1.542 4347 M HN 0.437 nan 8.290 nan 0.000 0.424 4348 V N 4.362 124.007 119.914 -0.450 0.000 2.495 4348 V HA 0.941 5.061 4.120 -0.000 0.000 0.298 4348 V C 0.308 176.134 176.094 -0.447 0.000 1.031 4348 V CA -0.533 61.498 62.300 -0.449 0.000 0.871 4348 V CB 1.539 32.996 31.823 -0.611 0.000 0.988 4348 V HN 1.000 nan 8.190 nan 0.000 0.432 4349 G N 3.525 111.989 108.800 -0.559 0.000 2.695 4349 G HA2 0.888 4.848 3.960 -0.000 0.000 0.290 4349 G HA3 0.888 4.848 3.960 -0.000 0.000 0.290 4349 G C -1.319 173.213 174.900 -0.613 0.000 1.410 4349 G CA -0.611 43.755 45.100 -1.223 0.000 0.844 4349 G HN 0.958 nan 8.290 nan 0.000 0.478 4350 I N -2.786 117.504 120.570 -0.466 0.000 3.279 4350 I HA 0.591 4.761 4.170 -0.000 0.000 0.315 4350 I C -1.169 175.029 176.117 0.135 0.000 1.187 4350 I CA -1.376 59.881 61.300 -0.072 0.000 0.953 4350 I CB 2.346 40.326 38.000 -0.034 0.000 1.279 4350 I HN 0.452 nan 8.210 nan 0.000 0.465 4351 N N 1.226 120.026 118.700 0.168 0.000 2.443 4351 N HA 0.250 4.990 4.740 -0.000 0.000 0.293 4351 N C 0.075 175.696 175.510 0.185 0.000 1.159 4351 N CA -0.811 52.404 53.050 0.276 0.000 0.904 4351 N CB 1.995 40.650 38.487 0.280 0.000 1.214 4351 N HN 0.513 nan 8.380 nan 0.000 0.513 4352 K N 0.764 121.276 120.400 0.186 0.000 2.063 4352 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 4352 K C 0.102 176.781 176.600 0.132 0.000 1.048 4352 K CA 1.848 58.216 56.287 0.135 0.000 0.928 4352 K CB 0.134 32.696 32.500 0.103 0.000 0.713 4352 K HN 0.533 nan 8.250 nan 0.000 0.442 4353 Q N 0.096 119.984 119.800 0.146 0.000 2.943 4353 Q HA 0.114 4.454 4.340 -0.000 0.000 0.327 4353 Q C -0.178 175.917 176.000 0.159 0.000 0.937 4353 Q CA -0.302 55.592 55.803 0.151 0.000 0.914 4353 Q CB 1.336 30.161 28.738 0.145 0.000 1.339 4353 Q HN 0.144 nan 8.270 nan 0.000 0.417 4354 E N 0.174 120.447 120.200 0.122 0.000 2.147 4354 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 4354 E C 0.544 177.216 176.600 0.120 0.000 1.005 4354 E CA 1.369 57.790 56.400 0.034 0.000 0.810 4354 E CB 0.115 29.669 29.700 -0.243 0.000 0.736 4354 E HN 0.466 nan 8.360 nan 0.000 0.460 4355 F N 0.340 120.292 119.950 0.003 0.000 2.684 4355 F HA 0.258 4.785 4.527 -0.000 0.000 0.298 4355 F C 1.757 177.567 175.800 0.018 0.000 1.120 4355 F CA -0.209 57.775 58.000 -0.026 0.000 1.332 4355 F CB 0.461 39.417 39.000 -0.074 0.000 0.986 4355 F HN -0.062 nan 8.300 nan 0.000 0.524 4356 G N 0.320 109.204 108.800 0.139 0.000 2.421 4356 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 4356 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 4356 G C 1.063 176.077 174.900 0.189 0.000 1.171 4356 G CA 1.524 46.722 45.100 0.163 0.000 0.775 4356 G HN 0.631 nan 8.290 nan 0.000 0.543 4357 W N -1.398 119.856 121.300 -0.078 0.000 5.450 4357 W HA 0.302 4.962 4.660 -0.000 0.000 0.164 4357 W C 1.889 178.332 176.519 -0.125 0.000 1.291 4357 W CA 0.115 57.407 57.345 -0.087 0.000 1.920 4357 W CB -0.594 28.858 29.460 -0.014 0.000 0.571 4357 W HN 0.003 nan 8.180 nan 0.000 1.104 4358 L N 1.653 122.820 121.223 -0.094 0.000 1.997 4358 L HA -0.231 4.108 4.340 -0.000 0.000 0.216 4358 L C 2.128 178.714 176.870 -0.474 0.000 1.074 4358 L CA 2.783 57.385 54.840 -0.397 0.000 0.763 4358 L CB -0.623 41.539 42.059 0.172 0.000 0.890 4358 L HN 0.196 nan 8.230 nan 0.000 0.434 4359 I N -0.671 119.653 120.570 -0.409 0.000 2.202 4359 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 4359 I C -0.383 175.362 176.117 -0.619 0.000 1.091 4359 I CA 1.079 62.102 61.300 -0.461 0.000 1.368 4359 I CB -1.632 36.098 38.000 -0.450 0.000 1.058 4359 I HN 0.266 nan 8.210 nan 0.000 0.410 4360 P HA -0.162 nan 4.420 nan 0.000 0.215 4360 P C 1.147 178.237 177.300 -0.350 0.000 1.157 4360 P CA 1.143 63.796 63.100 -0.745 0.000 0.868 4360 P CB -0.030 31.199 31.700 -0.784 0.000 0.788 4364 M N 0.377 119.956 119.600 -0.035 0.000 2.659 4364 M HA 0.094 4.574 4.480 -0.000 0.000 0.243 4364 M C 0.243 176.606 176.300 0.105 0.000 1.111 4364 M CA 0.450 55.800 55.300 0.083 0.000 1.070 4364 M CB 0.109 32.837 32.600 0.213 0.000 1.525 4364 M HN 0.256 nan 8.290 nan 0.000 0.517 4365 S N 0.543 116.277 115.700 0.056 0.000 3.681 4365 S HA -0.162 4.308 4.470 -0.000 0.000 0.473 4365 S C -0.679 173.985 174.600 0.106 0.000 0.830 4365 S CA 0.129 58.359 58.200 0.049 0.000 1.355 4365 S CB -1.442 61.766 63.200 0.014 0.000 0.892 4365 S HN 0.404 nan 8.310 nan 0.000 0.649 4366 Y N 1.601 121.891 120.300 -0.017 0.000 2.299 4366 Y HA 0.391 4.941 4.550 -0.000 0.000 0.326 4366 Y C -1.734 174.196 175.900 0.050 0.000 1.164 4366 Y CA -1.733 56.395 58.100 0.046 0.000 1.234 4366 Y CB 0.670 39.179 38.460 0.082 0.000 1.219 4366 Y HN 0.152 nan 8.280 nan 0.000 0.497 4367 P HA 0.200 nan 4.420 nan 0.000 0.226 4367 P C -0.416 176.953 177.300 0.116 0.000 1.783 4367 P CA 0.570 63.699 63.100 0.049 0.000 0.980 4367 P CB -0.261 31.425 31.700 -0.023 0.000 1.967 4368 L N -0.313 121.008 121.223 0.163 0.000 3.218 4368 L HA 0.195 4.535 4.340 -0.000 0.000 0.279 4368 L C 1.600 178.542 176.870 0.120 0.000 1.287 4368 L CA 0.094 55.032 54.840 0.164 0.000 1.024 4368 L CB 0.174 42.372 42.059 0.231 0.000 1.409 4368 L HN 0.046 nan 8.230 nan 0.000 0.580 4369 S N 0.146 115.901 115.700 0.091 0.000 2.584 4369 S HA -0.068 4.402 4.470 -0.000 0.000 0.240 4369 S C 1.434 176.074 174.600 0.066 0.000 0.975 4369 S CA 1.155 59.401 58.200 0.075 0.000 0.949 4369 S CB 0.007 63.241 63.200 0.057 0.000 0.761 4369 S HN 0.532 nan 8.310 nan 0.000 0.536 4370 E N -0.896 119.344 120.200 0.066 0.000 2.447 4370 E HA 0.229 4.579 4.350 -0.000 0.000 0.204 4370 E C 1.434 178.070 176.600 0.061 0.000 0.977 4370 E CA 0.384 56.817 56.400 0.055 0.000 0.950 4370 E CB 0.234 29.960 29.700 0.043 0.000 0.975 4370 E HN 0.498 nan 8.360 nan 0.000 0.496 4371 G N 2.136 110.984 108.800 0.079 0.000 2.184 4371 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 4371 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 4371 G C 0.278 175.224 174.900 0.077 0.000 0.975 4371 G CA 0.818 45.970 45.100 0.085 0.000 0.642 4371 G HN 0.297 nan 8.290 nan 0.000 0.536 4372 Q N -0.346 119.491 119.800 0.063 0.000 2.365 4372 Q HA 0.783 5.123 4.340 -0.000 0.000 0.269 4372 Q C -1.809 174.214 176.000 0.038 0.000 1.061 4372 Q CA -0.991 54.842 55.803 0.050 0.000 0.816 4372 Q CB 1.954 30.714 28.738 0.037 0.000 1.325 4372 Q HN 0.595 nan 8.270 nan 0.000 0.446 4373 L N 3.747 124.986 121.223 0.027 0.000 2.482 4373 L HA 0.460 4.799 4.340 -0.000 0.000 0.263 4373 L C -1.937 174.925 176.870 -0.013 0.000 0.957 4373 L CA -0.282 54.552 54.840 -0.011 0.000 0.836 4373 L CB 2.091 44.123 42.059 -0.044 0.000 1.324 4373 L HN 0.778 nan 8.230 nan 0.000 0.406 4374 D N 3.657 124.041 120.400 -0.027 0.000 2.362 4374 D HA 0.225 4.865 4.640 -0.000 0.000 0.247 4374 D C 0.220 176.506 176.300 -0.023 0.000 1.050 4374 D CA -0.523 53.469 54.000 -0.013 0.000 0.839 4374 D CB 1.684 42.482 40.800 -0.003 0.000 1.283 4374 D HN 0.469 nan 8.370 nan 0.000 0.477 4375 Q N 1.703 121.501 119.800 -0.004 0.000 2.160 4375 Q HA -0.312 4.028 4.340 -0.000 0.000 0.219 4375 Q C 1.561 177.558 176.000 -0.004 0.000 1.051 4375 Q CA 2.200 58.006 55.803 0.005 0.000 0.929 4375 Q CB -0.454 28.294 28.738 0.018 0.000 1.059 4375 Q HN 0.643 nan 8.270 nan 0.000 0.428 4376 K N -0.578 119.820 120.400 -0.003 0.000 2.002 4376 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 4376 K C 2.209 178.804 176.600 -0.010 0.000 1.048 4376 K CA 1.721 58.009 56.287 0.000 0.000 0.930 4376 K CB -0.259 32.243 32.500 0.003 0.000 0.714 4376 K HN 0.247 nan 8.250 nan 0.000 0.438 4377 T N 0.957 115.494 114.554 -0.028 0.000 2.929 4377 T HA -0.088 4.262 4.350 -0.000 0.000 0.271 4377 T C 1.819 176.452 174.700 -0.112 0.000 1.085 4377 T CA 1.115 63.187 62.100 -0.047 0.000 1.125 4377 T CB -0.098 68.742 68.868 -0.047 0.000 0.874 4377 T HN 0.310 nan 8.240 nan 0.000 0.494 4378 A N 1.276 124.003 122.820 -0.154 0.000 1.898 4378 A HA 0.157 4.477 4.320 -0.000 0.000 0.214 4378 A C 2.256 179.766 177.584 -0.122 0.000 1.183 4378 A CA 0.822 52.661 52.037 -0.330 0.000 0.622 4378 A CB -0.473 18.369 19.000 -0.263 0.000 0.824 4378 A HN 0.414 nan 8.150 nan 0.000 0.444 4379 M N -0.039 119.568 119.600 0.011 0.000 2.319 4379 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 4379 M C 2.156 178.549 176.300 0.156 0.000 1.068 4379 M CA 1.237 56.602 55.300 0.108 0.000 1.118 4379 M CB -0.219 32.426 32.600 0.076 0.000 1.395 4379 M HN 0.427 nan 8.290 nan 0.000 0.435 4380 S N 0.870 116.633 115.700 0.105 0.000 2.357 4380 S HA -0.030 4.440 4.470 -0.000 0.000 0.221 4380 S C 1.836 176.546 174.600 0.183 0.000 1.031 4380 S CA 0.873 59.163 58.200 0.151 0.000 0.982 4380 S CB -0.282 62.965 63.200 0.079 0.000 0.853 4380 S HN 0.405 nan 8.310 nan 0.000 0.458 4381 L N 0.895 122.183 121.223 0.108 0.000 2.017 4381 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 4381 L C 2.415 179.495 176.870 0.350 0.000 1.073 4381 L CA 1.027 55.965 54.840 0.164 0.000 0.745 4381 L CB -0.403 41.709 42.059 0.088 0.000 0.894 4381 L HN 0.281 nan 8.230 nan 0.000 0.432 4382 L N -0.561 120.937 121.223 0.459 0.000 2.043 4382 L HA -0.311 4.029 4.340 -0.000 0.000 0.212 4382 L C 2.160 179.298 176.870 0.446 0.000 1.075 4382 L CA 1.963 57.107 54.840 0.506 0.000 0.752 4382 L CB -0.761 41.601 42.059 0.505 0.000 0.891 4382 L HN 0.402 nan 8.230 nan 0.000 0.432 4383 W N 0.236 121.652 121.300 0.193 0.000 2.379 4383 W HA -0.213 4.447 4.660 -0.000 0.000 0.307 4383 W C 2.109 178.725 176.519 0.161 0.000 1.200 4383 W CA 0.753 58.197 57.345 0.166 0.000 1.297 4383 W CB 0.075 29.593 29.460 0.098 0.000 1.140 4383 W HN 0.038 nan 8.180 nan 0.000 0.507 4384 K N 0.626 121.047 120.400 0.036 0.000 2.152 4384 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 4384 K C 1.647 178.206 176.600 -0.068 0.000 1.048 4384 K CA 1.346 57.549 56.287 -0.140 0.000 0.933 4384 K CB -0.838 31.625 32.500 -0.060 0.000 0.721 4384 K HN 0.047 nan 8.250 nan 0.000 0.447 4385 S N 0.980 116.729 115.700 0.082 0.000 2.754 4385 S HA -0.021 4.449 4.470 -0.000 0.000 0.223 4385 S C 1.171 175.810 174.600 0.066 0.000 0.951 4385 S CA -0.289 57.982 58.200 0.119 0.000 0.954 4385 S CB -0.393 62.938 63.200 0.219 0.000 0.780 4385 S HN 0.262 nan 8.310 nan 0.000 0.509 4386 Y N 3.890 124.121 120.300 -0.115 0.000 2.102 4386 Y HA -0.180 4.370 4.550 -0.000 0.000 0.280 4386 Y C -0.713 175.131 175.900 -0.094 0.000 1.178 4386 Y CA 1.821 59.848 58.100 -0.121 0.000 1.146 4386 Y CB -1.115 37.140 38.460 -0.342 0.000 0.968 4386 Y HN 0.271 nan 8.280 nan 0.000 0.504 4387 P HA -0.135 nan 4.420 nan 0.000 0.230 4387 P C 1.284 178.502 177.300 -0.136 0.000 1.158 4387 P CA 1.518 64.567 63.100 -0.085 0.000 0.769 4387 P CB -0.018 31.682 31.700 -0.000 0.000 0.807 4388 L N -0.718 120.431 121.223 -0.124 0.000 2.316 4388 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 4388 L C 2.266 178.981 176.870 -0.258 0.000 1.070 4388 L CA 0.760 55.509 54.840 -0.151 0.000 0.820 4388 L CB -0.068 41.949 42.059 -0.070 0.000 0.992 4388 L HN -0.152 nan 8.230 nan 0.000 0.466 4389 V N -6.256 113.507 119.914 -0.251 0.000 3.556 4389 V HA 0.150 4.270 4.120 -0.000 0.000 0.287 4389 V C 0.988 176.916 176.094 -0.277 0.000 1.422 4389 V CA -0.745 61.392 62.300 -0.272 0.000 1.038 4389 V CB -0.351 31.342 31.823 -0.217 0.000 0.850 4389 V HN 0.406 nan 8.190 nan 0.000 0.437 4390 C N 2.088 121.109 119.300 -0.466 0.000 3.349 4390 C HA -0.172 4.288 4.460 -0.000 0.000 0.275 4390 C C 0.462 175.316 174.990 -0.226 0.000 1.322 4390 C CA 0.291 58.840 59.018 -0.782 0.000 2.261 4390 C CB -2.854 24.497 27.740 -0.648 0.000 1.446 4390 C HN 0.648 nan 8.230 nan 0.000 0.533 4391 I N 1.128 121.784 120.570 0.143 0.000 2.362 4391 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 4391 I C 0.901 177.388 176.117 0.616 0.000 0.994 4391 I CA -0.222 61.355 61.300 0.462 0.000 1.158 4391 I CB 1.222 39.484 38.000 0.438 0.000 1.315 4391 I HN 0.532 nan 8.210 nan 0.000 0.451 4392 A N 5.852 128.973 122.820 0.502 0.000 2.565 4392 A HA -0.022 4.298 4.320 -0.000 0.000 0.237 4392 A C 1.462 179.147 177.584 0.169 0.000 1.053 4392 A CA 0.149 52.406 52.037 0.366 0.000 0.755 4392 A CB 0.094 19.229 19.000 0.225 0.000 0.980 4392 A HN 0.934 nan 8.150 nan 0.000 0.506 4393 K N 1.016 121.317 120.400 -0.165 0.000 2.286 4393 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 4393 K C 1.702 178.156 176.600 -0.244 0.000 1.045 4393 K CA 1.913 57.886 56.287 -0.525 0.000 0.935 4393 K CB 0.038 31.734 32.500 -1.340 0.000 0.737 4393 K HN 0.927 nan 8.250 nan 0.000 0.460 4394 E N 0.199 120.324 120.200 -0.125 0.000 2.230 4394 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 4394 E C 1.803 178.395 176.600 -0.012 0.000 0.987 4394 E CA 0.541 56.899 56.400 -0.070 0.000 0.841 4394 E CB -0.172 29.500 29.700 -0.047 0.000 0.783 4394 E HN 0.323 nan 8.360 nan 0.000 0.481 4395 L N 0.798 122.043 121.223 0.036 0.000 2.240 4395 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 4395 L C 2.495 179.416 176.870 0.086 0.000 1.106 4395 L CA 0.102 54.975 54.840 0.055 0.000 0.793 4395 L CB -0.460 41.656 42.059 0.096 0.000 0.927 4395 L HN 0.065 nan 8.230 nan 0.000 0.446 4396 I N 0.633 121.271 120.570 0.114 0.000 2.130 4396 I HA -0.277 3.893 4.170 -0.000 0.000 0.241 4396 I C 0.112 176.306 176.117 0.128 0.000 1.023 4396 I CA 2.369 63.761 61.300 0.154 0.000 1.293 4396 I CB -2.600 35.473 38.000 0.122 0.000 1.001 4396 I HN 0.191 nan 8.210 nan 0.000 0.407 4397 P HA -0.176 nan 4.420 nan 0.000 0.214 4397 P C 1.612 178.961 177.300 0.080 0.000 1.163 4397 P CA 1.713 64.852 63.100 0.065 0.000 0.889 4397 P CB -0.115 31.602 31.700 0.029 0.000 0.790 4398 E N -0.221 120.021 120.200 0.070 0.000 2.049 4398 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 4398 E C 2.135 178.836 176.600 0.169 0.000 1.007 4398 E CA 1.484 57.938 56.400 0.089 0.000 0.809 4398 E CB -0.913 28.812 29.700 0.042 0.000 0.749 4398 E HN 0.154 nan 8.360 nan 0.000 0.450 4399 A N 1.328 124.260 122.820 0.186 0.000 1.865 4399 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 4399 A C 2.493 180.234 177.584 0.261 0.000 1.191 4399 A CA 2.341 54.532 52.037 0.256 0.000 0.623 4399 A CB -1.185 17.977 19.000 0.270 0.000 0.826 4399 A HN 0.247 nan 8.150 nan 0.000 0.444 4400 T N -0.521 114.172 114.554 0.231 0.000 2.746 4400 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 4400 T C 1.892 176.698 174.700 0.177 0.000 1.039 4400 T CA 1.702 63.941 62.100 0.232 0.000 1.142 4400 T CB -0.254 68.730 68.868 0.193 0.000 0.866 4400 T HN 0.604 nan 8.240 nan 0.000 0.444 4401 E N 1.479 121.749 120.200 0.116 0.000 2.077 4401 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 4401 E C 2.081 178.689 176.600 0.014 0.000 0.989 4401 E CA 1.292 57.728 56.400 0.060 0.000 0.800 4401 E CB -0.222 29.502 29.700 0.040 0.000 0.746 4401 E HN 0.264 nan 8.360 nan 0.000 0.452 4402 K N -1.066 119.319 120.400 -0.025 0.000 2.147 4402 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 4402 K C 1.566 178.011 176.600 -0.258 0.000 1.049 4402 K CA 1.431 57.571 56.287 -0.245 0.000 0.936 4402 K CB -0.384 31.735 32.500 -0.634 0.000 0.722 4402 K HN 0.256 nan 8.250 nan 0.000 0.446 4403 Y N -0.753 119.473 120.300 -0.124 0.000 2.441 4403 Y HA 0.197 4.747 4.550 -0.000 0.000 0.288 4403 Y C 1.668 177.584 175.900 0.028 0.000 1.118 4403 Y CA 0.644 58.725 58.100 -0.032 0.000 1.215 4403 Y CB 0.370 38.869 38.460 0.065 0.000 1.118 4403 Y HN -0.106 nan 8.280 nan 0.000 0.547 4404 L N -2.032 119.314 121.223 0.204 0.000 2.357 4404 L HA 0.207 4.547 4.340 -0.000 0.000 0.211 4404 L C 2.246 179.159 176.870 0.073 0.000 1.075 4404 L CA 0.806 55.732 54.840 0.144 0.000 0.830 4404 L CB -0.858 41.292 42.059 0.152 0.000 0.996 4404 L HN 0.194 nan 8.230 nan 0.000 0.467 4405 G N 0.380 109.210 108.800 0.050 0.000 2.615 4405 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.213 4405 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.213 4405 G C 1.415 176.317 174.900 0.002 0.000 1.135 4405 G CA 0.671 45.783 45.100 0.021 0.000 0.772 4405 G HN 0.475 nan 8.290 nan 0.000 0.542 4406 G N -0.382 108.417 108.800 -0.000 0.000 2.430 4406 G HA2 0.239 4.198 3.960 -0.000 0.000 0.216 4406 G HA3 0.239 4.198 3.960 -0.000 0.000 0.216 4406 G C 0.983 175.883 174.900 0.000 0.000 1.146 4406 G CA 1.524 46.616 45.100 -0.014 0.000 0.793 4406 G HN 0.747 nan 8.290 nan 0.000 0.537 4407 T N -4.479 110.084 114.554 0.016 0.000 2.626 4407 T HA 0.510 4.860 4.350 -0.000 0.000 0.279 4407 T C -0.436 174.277 174.700 0.022 0.000 0.983 4407 T CA -0.340 61.770 62.100 0.018 0.000 1.059 4407 T CB 1.992 70.874 68.868 0.024 0.000 1.396 4407 T HN -0.161 nan 8.240 nan 0.000 0.519 4408 D N -0.307 120.106 120.400 0.021 0.000 2.520 4408 D HA 0.155 4.795 4.640 -0.000 0.000 0.223 4408 D C -0.498 175.816 176.300 0.024 0.000 1.186 4408 D CA -0.168 53.844 54.000 0.021 0.000 0.821 4408 D CB 0.550 41.359 40.800 0.015 0.000 1.072 4408 D HN 0.551 nan 8.370 nan 0.000 0.518 4409 D N 1.868 122.285 120.400 0.028 0.000 2.417 4409 D HA -0.031 4.609 4.640 -0.000 0.000 0.250 4409 D C 1.633 177.956 176.300 0.038 0.000 1.166 4409 D CA 0.355 54.373 54.000 0.031 0.000 0.881 4409 D CB 1.598 42.418 40.800 0.033 0.000 1.164 4409 D HN 0.032 nan 8.370 nan 0.000 0.467 4410 T N 0.530 115.104 114.554 0.034 0.000 2.867 4410 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 4410 T C 1.927 176.657 174.700 0.050 0.000 1.057 4410 T CA 0.896 63.018 62.100 0.037 0.000 1.136 4410 T CB -0.224 68.661 68.868 0.029 0.000 0.874 4410 T HN 0.226 nan 8.240 nan 0.000 0.466 4411 V N 1.648 121.593 119.914 0.052 0.000 2.323 4411 V HA -0.035 4.085 4.120 -0.000 0.000 0.244 4411 V C 2.773 178.915 176.094 0.079 0.000 1.041 4411 V CA 1.504 63.842 62.300 0.065 0.000 1.025 4411 V CB -0.541 31.314 31.823 0.055 0.000 0.656 4411 V HN 0.452 nan 8.190 nan 0.000 0.451 4412 K N 0.034 120.476 120.400 0.069 0.000 2.211 4412 K HA -0.181 4.138 4.320 -0.000 0.000 0.204 4412 K C 2.187 178.849 176.600 0.103 0.000 1.047 4412 K CA 1.190 57.524 56.287 0.078 0.000 0.935 4412 K CB -0.139 32.397 32.500 0.060 0.000 0.728 4412 K HN 0.439 nan 8.250 nan 0.000 0.452 4413 K N 0.792 121.251 120.400 0.099 0.000 2.031 4413 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 4413 K C 2.100 178.802 176.600 0.171 0.000 1.049 4413 K CA 0.711 57.071 56.287 0.121 0.000 0.939 4413 K CB -0.009 32.539 32.500 0.080 0.000 0.717 4413 K HN -0.061 nan 8.250 nan 0.000 0.438 4414 K N 1.626 122.114 120.400 0.146 0.000 2.152 4414 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 4414 K C 1.024 177.784 176.600 0.265 0.000 1.048 4414 K CA 1.738 58.142 56.287 0.196 0.000 0.933 4414 K CB -0.061 32.529 32.500 0.149 0.000 0.721 4414 K HN 0.143 nan 8.250 nan 0.000 0.447 4415 D N 0.643 121.168 120.400 0.208 0.000 2.137 4415 D HA -0.075 4.565 4.640 -0.000 0.000 0.202 4415 D C 2.117 178.554 176.300 0.229 0.000 0.970 4415 D CA 0.643 54.764 54.000 0.201 0.000 0.837 4415 D CB -0.171 40.718 40.800 0.148 0.000 0.981 4415 D HN 0.195 nan 8.370 nan 0.000 0.475 4416 L N 0.171 121.536 121.223 0.237 0.000 2.265 4416 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 4416 L C 2.267 179.340 176.870 0.339 0.000 1.117 4416 L CA 0.475 55.486 54.840 0.285 0.000 0.782 4416 L CB -0.265 41.951 42.059 0.260 0.000 0.914 4416 L HN -0.048 nan 8.230 nan 0.000 0.441 4417 F N 0.409 120.452 119.950 0.155 0.000 2.206 4417 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 4417 F C 2.078 177.926 175.800 0.081 0.000 1.090 4417 F CA 1.265 59.331 58.000 0.110 0.000 1.323 4417 F CB -0.106 38.972 39.000 0.130 0.000 1.028 4417 F HN -0.123 nan 8.300 nan 0.000 0.492 4418 L N -0.248 121.060 121.223 0.142 0.000 2.093 4418 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 4418 L C 1.995 178.883 176.870 0.031 0.000 1.085 4418 L CA 1.303 56.203 54.840 0.100 0.000 0.755 4418 L CB -0.866 41.338 42.059 0.241 0.000 0.904 4418 L HN 0.045 nan 8.230 nan 0.000 0.435 4419 D N 0.172 120.632 120.400 0.100 0.000 2.144 4419 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 4419 D C 2.049 178.364 176.300 0.025 0.000 0.978 4419 D CA 0.865 54.951 54.000 0.144 0.000 0.833 4419 D CB -0.151 40.812 40.800 0.273 0.000 0.961 4419 D HN 0.140 nan 8.370 nan 0.000 0.470 4420 L N 1.039 122.140 121.223 -0.203 0.000 1.989 4420 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 4420 L C 1.968 178.523 176.870 -0.526 0.000 1.071 4420 L CA 1.551 55.984 54.840 -0.678 0.000 0.749 4420 L CB -0.757 40.893 42.059 -0.681 0.000 0.890 4420 L HN -0.069 nan 8.230 nan 0.000 0.431 4421 I N 0.431 120.624 120.570 -0.629 0.000 2.127 4421 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 4421 I C 2.742 178.551 176.117 -0.513 0.000 1.075 4421 I CA 1.646 62.489 61.300 -0.763 0.000 1.334 4421 I CB -1.826 35.365 38.000 -1.348 0.000 1.040 4421 I HN 0.429 nan 8.210 nan 0.000 0.405 4422 A N 0.793 123.455 122.820 -0.263 0.000 1.892 4422 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 4422 A C 1.958 179.565 177.584 0.038 0.000 1.188 4422 A CA 2.215 54.284 52.037 0.054 0.000 0.631 4422 A CB -0.719 18.372 19.000 0.151 0.000 0.822 4422 A HN 0.424 nan 8.150 nan 0.000 0.447 4423 D N -0.497 119.878 120.400 -0.042 0.000 2.219 4423 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 4423 D C 1.991 178.120 176.300 -0.286 0.000 0.970 4423 D CA 1.274 55.252 54.000 -0.037 0.000 0.851 4423 D CB -0.260 40.638 40.800 0.164 0.000 0.943 4423 D HN 0.274 nan 8.370 nan 0.000 0.488 4424 V N 0.610 120.215 119.914 -0.515 0.000 2.407 4424 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 4424 V C 2.406 178.221 176.094 -0.465 0.000 1.041 4424 V CA 1.112 63.011 62.300 -0.668 0.000 1.040 4424 V CB -0.222 31.138 31.823 -0.771 0.000 0.671 4424 V HN 0.159 nan 8.190 nan 0.000 0.455 4425 M N -1.615 117.703 119.600 -0.471 0.000 2.248 4425 M HA 0.066 4.546 4.480 -0.000 0.000 0.265 4425 M C 1.758 177.547 176.300 -0.851 0.000 1.079 4425 M CA 2.033 56.905 55.300 -0.713 0.000 1.150 4425 M CB -0.008 32.036 32.600 -0.926 0.000 1.366 4425 M HN 0.371 nan 8.290 nan 0.000 0.433 4426 F N -1.991 117.890 119.950 -0.116 0.000 2.421 4426 F HA 0.369 4.896 4.527 -0.000 0.000 0.270 4426 F C 2.320 178.078 175.800 -0.070 0.000 0.894 4426 F CA 0.166 58.129 58.000 -0.062 0.000 1.128 4426 F CB -1.424 37.581 39.000 0.009 0.000 1.011 4426 F HN 0.033 nan 8.300 nan 0.000 0.788 4427 G N 1.435 110.335 108.800 0.167 0.000 2.672 4427 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 4427 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 4427 G C 1.687 176.599 174.900 0.021 0.000 1.238 4427 G CA 2.319 47.463 45.100 0.074 0.000 0.791 4427 G HN 0.187 nan 8.290 nan 0.000 0.606 4428 V N 2.233 122.153 119.914 0.009 0.000 2.261 4428 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 4428 V C 0.461 176.552 176.094 -0.005 0.000 1.047 4428 V CA 2.315 64.632 62.300 0.030 0.000 1.015 4428 V CB -1.304 30.552 31.823 0.055 0.000 0.642 4428 V HN 0.291 nan 8.190 nan 0.000 0.446 4429 P HA -0.144 nan 4.420 nan 0.000 0.216 4429 P C 2.022 179.287 177.300 -0.059 0.000 1.154 4429 P CA 2.032 65.092 63.100 -0.067 0.000 0.865 4429 P CB -0.115 31.509 31.700 -0.126 0.000 0.789 4430 S N -0.821 114.842 115.700 -0.061 0.000 2.359 4430 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 4430 S C 1.987 176.493 174.600 -0.155 0.000 1.035 4430 S CA 1.435 59.570 58.200 -0.108 0.000 1.018 4430 S CB -1.277 61.858 63.200 -0.107 0.000 0.876 4430 S HN -0.025 nan 8.310 nan 0.000 0.448 4431 V N 2.087 121.930 119.914 -0.117 0.000 2.427 4431 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 4431 V C 2.054 178.129 176.094 -0.031 0.000 1.051 4431 V CA 1.329 63.561 62.300 -0.112 0.000 1.048 4431 V CB -0.723 31.081 31.823 -0.031 0.000 0.666 4431 V HN 0.450 nan 8.190 nan 0.000 0.456 4432 I N -0.301 120.271 120.570 0.003 0.000 2.179 4432 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 4432 I C 2.439 178.577 176.117 0.035 0.000 1.088 4432 I CA 1.237 62.561 61.300 0.040 0.000 1.357 4432 I CB -0.490 37.533 38.000 0.039 0.000 1.051 4432 I HN 0.150 nan 8.210 nan 0.000 0.409 4433 V N 1.263 121.173 119.914 -0.006 0.000 2.287 4433 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 4433 V C 2.777 178.884 176.094 0.021 0.000 1.053 4433 V CA 2.182 64.488 62.300 0.011 0.000 1.027 4433 V CB -1.065 30.740 31.823 -0.030 0.000 0.646 4433 V HN 0.513 nan 8.190 nan 0.000 0.447 4434 A N -0.220 122.534 122.820 -0.109 0.000 1.865 4434 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 4434 A C 2.357 180.013 177.584 0.121 0.000 1.191 4434 A CA 2.107 54.058 52.037 -0.143 0.000 0.623 4434 A CB -0.586 18.099 19.000 -0.525 0.000 0.826 4434 A HN 0.507 nan 8.150 nan 0.000 0.444 4435 R N -0.328 120.281 120.500 0.181 0.000 2.096 4435 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 4435 R C 2.081 178.499 176.300 0.196 0.000 1.139 4435 R CA 1.918 58.178 56.100 0.267 0.000 0.952 4435 R CB -0.564 29.862 30.300 0.209 0.000 0.854 4435 R HN 0.735 nan 8.270 nan 0.000 0.436 4436 N N -0.786 118.018 118.700 0.174 0.000 2.120 4436 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 4436 N C 1.787 177.440 175.510 0.238 0.000 1.024 4436 N CA 0.971 54.129 53.050 0.180 0.000 0.852 4436 N CB -0.182 38.409 38.487 0.174 0.000 1.003 4436 N HN 0.287 nan 8.380 nan 0.000 0.424 4437 H N 1.395 120.584 119.070 0.199 0.000 2.389 4437 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 4437 H C 2.247 177.689 175.328 0.190 0.000 1.081 4437 H CA 1.388 57.594 56.048 0.263 0.000 1.345 4437 H CB 0.128 30.063 29.762 0.289 0.000 1.393 4437 H HN 0.030 nan 8.280 nan 0.000 0.520 4438 R N 0.286 120.917 120.500 0.219 0.000 2.066 4438 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 4438 R C 1.179 177.507 176.300 0.046 0.000 1.131 4438 R CA 1.947 58.127 56.100 0.133 0.000 0.955 4438 R CB -0.141 30.280 30.300 0.201 0.000 0.851 4438 R HN 0.348 nan 8.270 nan 0.000 0.432 4439 D N 0.498 120.938 120.400 0.067 0.000 2.263 4439 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 4439 D C 1.507 177.800 176.300 -0.011 0.000 0.971 4439 D CA 1.284 55.302 54.000 0.030 0.000 0.867 4439 D CB -0.086 40.745 40.800 0.051 0.000 0.929 4439 D HN 0.418 nan 8.370 nan 0.000 0.492 4440 A N -0.373 122.429 122.820 -0.030 0.000 2.168 4440 A HA 0.341 4.661 4.320 -0.000 0.000 0.215 4440 A C 1.867 179.352 177.584 -0.165 0.000 1.152 4440 A CA 1.343 53.308 52.037 -0.120 0.000 0.716 4440 A CB -0.158 18.749 19.000 -0.155 0.000 0.794 4440 A HN 0.281 nan 8.150 nan 0.000 0.465 4441 G N -2.752 105.972 108.800 -0.127 0.000 2.163 4441 G HA2 0.184 4.144 3.960 -0.000 0.000 0.213 4441 G HA3 0.184 4.144 3.960 -0.000 0.000 0.213 4441 G C 0.271 175.102 174.900 -0.115 0.000 0.991 4441 G CA 0.199 45.235 45.100 -0.107 0.000 0.653 4441 G HN 1.513 nan 8.290 nan 0.000 0.518 4442 A N 0.099 122.804 122.820 -0.190 0.000 2.282 4442 A HA 0.869 5.189 4.320 -0.000 0.000 0.319 4442 A C -2.356 175.255 177.584 0.044 0.000 1.121 4442 A CA -1.559 50.406 52.037 -0.120 0.000 0.836 4442 A CB 0.929 19.760 19.000 -0.282 0.000 1.146 4442 A HN 0.069 nan 8.150 nan 0.000 0.494 4443 P HA 0.242 nan 4.420 nan 0.000 0.267 4443 P C -0.552 176.908 177.300 0.266 0.000 1.205 4443 P CA 0.688 63.878 63.100 0.150 0.000 0.765 4443 P CB 0.745 32.575 31.700 0.217 0.000 0.828 4444 T N 3.228 117.828 114.554 0.077 0.000 2.876 4444 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 4444 T C -1.071 173.514 174.700 -0.191 0.000 1.014 4444 T CA -0.249 61.921 62.100 0.116 0.000 0.986 4444 T CB 0.779 69.783 68.868 0.226 0.000 1.021 4444 T HN 0.126 nan 8.240 nan 0.000 0.458 4445 Y N 0.974 121.245 120.300 -0.048 0.000 2.534 4445 Y HA 0.697 5.247 4.550 -0.000 0.000 0.345 4445 Y C -0.110 175.771 175.900 -0.032 0.000 1.031 4445 Y CA -1.095 56.956 58.100 -0.081 0.000 1.022 4445 Y CB 2.102 40.220 38.460 -0.569 0.000 1.292 4445 Y HN 0.370 nan 8.280 nan 0.000 0.459 4446 M N 2.862 122.720 119.600 0.429 0.000 2.631 4446 M HA 0.549 5.029 4.480 -0.000 0.000 0.288 4446 M C -1.706 174.881 176.300 0.479 0.000 1.260 4446 M CA -1.012 54.410 55.300 0.203 0.000 0.842 4446 M CB 3.420 35.922 32.600 -0.162 0.000 1.743 4446 M HN 0.750 nan 8.290 nan 0.000 0.461 4447 Y N -1.560 118.869 120.300 0.215 0.000 2.609 4447 Y HA 0.699 5.249 4.550 -0.000 0.000 0.336 4447 Y C -1.659 174.341 175.900 0.167 0.000 1.129 4447 Y CA -0.960 57.213 58.100 0.122 0.000 1.040 4447 Y CB 1.509 39.956 38.460 -0.021 0.000 1.310 4447 Y HN 0.694 nan 8.280 nan 0.000 0.460 4448 E N 2.871 123.314 120.200 0.405 0.000 2.220 4448 E HA 0.320 4.670 4.350 -0.000 0.000 0.256 4448 E C -2.161 174.697 176.600 0.429 0.000 0.881 4448 E CA -0.854 55.732 56.400 0.310 0.000 0.766 4448 E CB 1.217 31.072 29.700 0.257 0.000 1.187 4448 E HN 0.638 nan 8.360 nan 0.000 0.419 4449 F N 4.011 124.179 119.950 0.364 0.000 2.424 4449 F HA 0.255 4.782 4.527 -0.000 0.000 0.356 4449 F C -0.495 175.427 175.800 0.203 0.000 1.110 4449 F CA -0.089 58.077 58.000 0.278 0.000 1.161 4449 F CB 0.789 39.974 39.000 0.308 0.000 1.115 4449 F HN 0.378 nan 8.300 nan 0.000 0.507 4450 Q N 7.575 127.091 119.800 -0.474 0.000 2.490 4450 Q HA 0.360 4.699 4.340 -0.000 0.000 0.255 4450 Q C -1.817 173.967 176.000 -0.360 0.000 0.997 4450 Q CA -0.717 54.919 55.803 -0.279 0.000 0.709 4450 Q CB 2.239 30.923 28.738 -0.090 0.000 1.255 4450 Q HN 0.756 nan 8.270 nan 0.000 0.486 4451 Y N 0.281 120.292 120.300 -0.482 0.000 2.573 4451 Y HA 0.292 4.842 4.550 -0.000 0.000 0.328 4451 Y C -1.785 174.088 175.900 -0.045 0.000 1.170 4451 Y CA -0.808 57.115 58.100 -0.296 0.000 1.078 4451 Y CB 1.621 39.830 38.460 -0.419 0.000 1.341 4451 Y HN 0.510 nan 8.280 nan 0.000 0.459 4452 R N 6.557 126.713 120.500 -0.573 0.000 2.287 4452 R HA 0.455 4.795 4.340 -0.000 0.000 0.316 4452 R C -2.734 173.349 176.300 -0.361 0.000 1.050 4452 R CA -2.040 53.861 56.100 -0.331 0.000 0.983 4452 R CB 0.763 30.862 30.300 -0.335 0.000 1.140 4452 R HN 0.385 nan 8.270 nan 0.000 0.528 4453 P HA -0.063 nan 4.420 nan 0.000 0.266 4453 P C 0.215 177.290 177.300 -0.375 0.000 1.193 4453 P CA 0.247 63.304 63.100 -0.071 0.000 0.770 4453 P CB 1.216 32.874 31.700 -0.070 0.000 0.836 4454 S N 1.130 116.457 115.700 -0.622 0.000 2.515 4454 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 4454 S C 1.247 175.442 174.600 -0.675 0.000 0.987 4454 S CA 0.431 58.241 58.200 -0.651 0.000 0.936 4454 S CB -1.092 61.694 63.200 -0.691 0.000 0.766 4454 S HN 0.401 nan 8.310 nan 0.000 0.528 4455 F N 2.426 122.189 119.950 -0.312 0.000 2.804 4455 F HA 0.324 4.851 4.527 -0.000 0.000 0.303 4455 F C 1.254 176.839 175.800 -0.358 0.000 1.154 4455 F CA -0.487 57.302 58.000 -0.351 0.000 1.401 4455 F CB -0.570 38.127 39.000 -0.506 0.000 1.106 4455 F HN 0.009 nan 8.300 nan 0.000 0.568 4456 S N 0.242 115.787 115.700 -0.257 0.000 2.566 4456 S HA -0.019 4.451 4.470 -0.000 0.000 0.280 4456 S C 0.581 175.085 174.600 -0.159 0.000 1.343 4456 S CA -0.477 57.604 58.200 -0.198 0.000 1.036 4456 S CB 0.738 63.798 63.200 -0.233 0.000 0.866 4456 S HN 0.274 nan 8.310 nan 0.000 0.526 4457 S N 0.701 116.302 115.700 -0.165 0.000 2.562 4457 S HA 0.030 4.500 4.470 -0.000 0.000 0.281 4457 S C 0.897 175.340 174.600 -0.262 0.000 1.333 4457 S CA -0.720 57.388 58.200 -0.154 0.000 1.052 4457 S CB 0.189 63.340 63.200 -0.083 0.000 0.884 4457 S HN 0.622 nan 8.310 nan 0.000 0.506 4458 D N 4.128 124.437 120.400 -0.153 0.000 2.218 4458 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 4458 D C 1.312 177.506 176.300 -0.176 0.000 0.976 4458 D CA 1.376 55.287 54.000 -0.148 0.000 0.853 4458 D CB -0.081 40.673 40.800 -0.077 0.000 0.939 4458 D HN 0.639 nan 8.370 nan 0.000 0.481 4459 M N 0.252 119.755 119.600 -0.162 0.000 2.628 4459 M HA 0.005 4.485 4.480 -0.000 0.000 0.232 4459 M C 0.815 176.903 176.300 -0.353 0.000 1.128 4459 M CA 0.308 55.554 55.300 -0.089 0.000 1.040 4459 M CB 0.112 32.808 32.600 0.160 0.000 1.608 4459 M HN -0.241 nan 8.290 nan 0.000 0.507 4460 K N 3.052 122.981 120.400 -0.785 0.000 2.234 4460 K HA 0.288 4.608 4.320 -0.000 0.000 0.277 4460 K C -2.328 173.932 176.600 -0.567 0.000 1.038 4460 K CA -1.849 53.679 56.287 -1.264 0.000 0.888 4460 K CB 1.022 32.666 32.500 -1.426 0.000 1.091 4460 K HN -0.103 nan 8.250 nan 0.000 0.467 4461 P HA -0.059 nan 4.420 nan 0.000 0.261 4461 P C -0.283 176.921 177.300 -0.160 0.000 1.183 4461 P CA 0.129 63.133 63.100 -0.161 0.000 0.761 4461 P CB 0.641 32.318 31.700 -0.039 0.000 0.785 4462 K N 1.651 121.971 120.400 -0.134 0.000 2.360 4462 K HA -0.084 4.236 4.320 -0.000 0.000 0.201 4462 K C 1.660 178.201 176.600 -0.099 0.000 1.046 4462 K CA 1.772 57.981 56.287 -0.129 0.000 0.940 4462 K CB -0.619 31.814 32.500 -0.112 0.000 0.748 4462 K HN 0.626 nan 8.250 nan 0.000 0.465 4463 T N -1.832 112.683 114.554 -0.064 0.000 3.055 4463 T HA 0.025 4.375 4.350 -0.000 0.000 0.265 4463 T C 0.970 175.656 174.700 -0.023 0.000 1.111 4463 T CA -0.082 61.997 62.100 -0.036 0.000 1.118 4463 T CB -0.123 68.742 68.868 -0.005 0.000 0.909 4463 T HN -0.197 nan 8.240 nan 0.000 0.501 4464 V N 2.706 122.604 119.914 -0.026 0.000 2.479 4464 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 4464 V C 0.079 176.164 176.094 -0.014 0.000 1.031 4464 V CA -0.229 62.077 62.300 0.010 0.000 1.038 4464 V CB 0.071 31.917 31.823 0.039 0.000 0.981 4464 V HN 0.467 nan 8.190 nan 0.000 0.478 4465 I N 3.967 124.544 120.570 0.012 0.000 2.478 4465 I HA 0.591 4.761 4.170 -0.000 0.000 0.287 4465 I C 0.709 176.860 176.117 0.056 0.000 1.042 4465 I CA -0.468 60.825 61.300 -0.011 0.000 1.067 4465 I CB 1.790 39.756 38.000 -0.057 0.000 1.233 4465 I HN 0.799 nan 8.210 nan 0.000 0.431 4466 G N 3.705 112.574 108.800 0.115 0.000 2.303 4466 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 4466 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 4466 G C -0.415 174.630 174.900 0.242 0.000 1.106 4466 G CA -0.238 44.996 45.100 0.222 0.000 0.900 4466 G HN 0.696 nan 8.290 nan 0.000 0.495 4467 D N -0.802 119.746 120.400 0.247 0.000 2.398 4467 D HA 0.404 5.044 4.640 -0.000 0.000 0.247 4467 D C 0.893 177.362 176.300 0.281 0.000 1.227 4467 D CA -0.460 53.695 54.000 0.258 0.000 0.980 4467 D CB 0.408 41.380 40.800 0.287 0.000 1.106 4467 D HN 0.343 nan 8.370 nan 0.000 0.493 4468 H N -0.610 118.553 119.070 0.155 0.000 2.964 4468 H HA 0.327 4.883 4.556 -0.000 0.000 0.328 4468 H C 1.273 176.739 175.328 0.230 0.000 1.030 4468 H CA 1.720 57.833 56.048 0.108 0.000 1.445 4468 H CB 0.195 29.994 29.762 0.063 0.000 1.449 4468 H HN 0.575 nan 8.280 nan 0.000 0.581 4469 G N 4.229 112.892 108.800 -0.228 0.000 2.179 4469 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 4469 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 4469 G C 1.139 176.053 174.900 0.024 0.000 0.977 4469 G CA 0.521 45.464 45.100 -0.263 0.000 0.641 4469 G HN 0.655 nan 8.290 nan 0.000 0.533 4470 D N 0.770 121.289 120.400 0.198 0.000 2.144 4470 D HA -0.041 4.599 4.640 -0.000 0.000 0.200 4470 D C 2.394 178.812 176.300 0.198 0.000 0.978 4470 D CA 1.369 55.610 54.000 0.401 0.000 0.833 4470 D CB -0.057 41.059 40.800 0.527 0.000 0.961 4470 D HN 0.692 nan 8.370 nan 0.000 0.470 4471 E N 1.071 121.022 120.200 -0.415 0.000 2.482 4471 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 4471 E C 2.030 178.334 176.600 -0.494 0.000 1.047 4471 E CA 0.114 55.874 56.400 -1.067 0.000 0.869 4471 E CB -0.551 28.275 29.700 -1.457 0.000 0.836 4471 E HN 0.330 nan 8.360 nan 0.000 0.520 4472 L N -0.302 120.734 121.223 -0.313 0.000 2.131 4472 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 4472 L C 2.141 178.808 176.870 -0.338 0.000 1.092 4472 L CA 1.104 55.743 54.840 -0.336 0.000 0.759 4472 L CB -0.487 41.264 42.059 -0.514 0.000 0.903 4472 L HN 0.028 nan 8.230 nan 0.000 0.435 4473 F N -0.812 119.097 119.950 -0.069 0.000 2.325 4473 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 4473 F C 2.609 178.387 175.800 -0.036 0.000 1.090 4473 F CA 0.892 58.881 58.000 -0.018 0.000 1.392 4473 F CB -0.432 38.658 39.000 0.150 0.000 1.053 4473 F HN -0.042 nan 8.300 nan 0.000 0.521 4474 S N -0.120 115.600 115.700 0.034 0.000 2.348 4474 S HA -0.093 4.377 4.470 -0.000 0.000 0.219 4474 S C 2.310 176.757 174.600 -0.256 0.000 1.033 4474 S CA 0.986 59.137 58.200 -0.080 0.000 0.974 4474 S CB -0.520 62.591 63.200 -0.148 0.000 0.868 4474 S HN 0.097 nan 8.310 nan 0.000 0.459 4475 V N 0.905 120.541 119.914 -0.463 0.000 2.332 4475 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 4475 V C 1.513 177.252 176.094 -0.591 0.000 1.055 4475 V CA 1.704 63.590 62.300 -0.689 0.000 1.038 4475 V CB -0.686 30.643 31.823 -0.824 0.000 0.651 4475 V HN 0.451 nan 8.190 nan 0.000 0.450 4476 F N 0.331 120.071 119.950 -0.350 0.000 2.692 4476 F HA 0.442 4.969 4.527 -0.000 0.000 0.303 4476 F C 1.663 177.347 175.800 -0.192 0.000 1.114 4476 F CA 0.533 58.353 58.000 -0.299 0.000 1.361 4476 F CB -0.213 38.564 39.000 -0.372 0.000 1.063 4476 F HN 0.260 nan 8.300 nan 0.000 0.550 4477 G N 0.817 109.610 108.800 -0.013 0.000 2.323 4477 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.292 4477 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.292 4477 G C 1.294 176.304 174.900 0.183 0.000 1.040 4477 G CA 0.302 45.483 45.100 0.135 0.000 0.942 4477 G HN 0.577 nan 8.290 nan 0.000 0.506 4478 A N 0.311 123.153 122.820 0.036 0.000 1.917 4478 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 4478 A C 0.654 178.098 177.584 -0.233 0.000 1.182 4478 A CA 2.271 54.206 52.037 -0.169 0.000 0.633 4478 A CB -0.944 17.893 19.000 -0.273 0.000 0.819 4478 A HN 0.486 nan 8.150 nan 0.000 0.448 4479 P HA -0.126 nan 4.420 nan 0.000 0.222 4479 P C 0.470 177.536 177.300 -0.391 0.000 1.142 4479 P CA 0.996 64.019 63.100 -0.129 0.000 0.788 4479 P CB -0.154 31.373 31.700 -0.288 0.000 0.767 4480 F N -2.931 117.036 119.950 0.028 0.000 2.695 4480 F HA 0.224 4.751 4.527 -0.000 0.000 0.303 4480 F C 1.762 177.592 175.800 0.051 0.000 1.091 4480 F CA 0.288 58.330 58.000 0.070 0.000 1.300 4480 F CB -0.132 38.938 39.000 0.116 0.000 1.071 4480 F HN -0.182 nan 8.300 nan 0.000 0.578 4481 L N -1.362 119.930 121.223 0.115 0.000 2.586 4481 L HA 0.213 4.553 4.340 -0.000 0.000 0.204 4481 L C 0.902 177.775 176.870 0.004 0.000 1.053 4481 L CA 0.086 54.962 54.840 0.059 0.000 0.856 4481 L CB -0.084 41.985 42.059 0.017 0.000 1.192 4481 L HN -0.248 nan 8.230 nan 0.000 0.484 4482 K N 0.876 121.229 120.400 -0.078 0.000 2.118 4482 K HA 0.244 4.564 4.320 -0.000 0.000 0.240 4482 K C -0.430 176.214 176.600 0.074 0.000 1.035 4482 K CA -0.179 56.075 56.287 -0.055 0.000 0.899 4482 K CB 0.675 33.001 32.500 -0.289 0.000 1.085 4482 K HN -0.027 nan 8.250 nan 0.000 0.498 4483 E N -1.192 119.092 120.200 0.139 0.000 2.222 4483 E HA 0.303 4.653 4.350 -0.000 0.000 0.267 4483 E C 0.083 176.770 176.600 0.145 0.000 0.963 4483 E CA 0.005 56.478 56.400 0.121 0.000 0.837 4483 E CB 1.610 31.354 29.700 0.073 0.000 1.183 4483 E HN 0.724 nan 8.360 nan 0.000 0.403 4484 G N 1.133 109.975 108.800 0.068 0.000 2.148 4484 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 4484 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 4484 G C 0.244 175.128 174.900 -0.026 0.000 0.981 4484 G CA 0.088 45.196 45.100 0.014 0.000 0.670 4484 G HN 0.692 nan 8.290 nan 0.000 0.528 4485 A N 0.389 123.219 122.820 0.017 0.000 2.477 4485 A HA 0.659 4.979 4.320 -0.000 0.000 0.246 4485 A C 1.166 178.710 177.584 -0.066 0.000 1.078 4485 A CA 0.972 52.984 52.037 -0.040 0.000 0.770 4485 A CB 0.256 19.297 19.000 0.068 0.000 1.011 4485 A HN 2.029 nan 8.150 nan 0.000 0.494 4486 S N 1.153 116.807 115.700 -0.076 0.000 2.608 4486 S HA 0.175 4.645 4.470 -0.000 0.000 0.261 4486 S C 0.839 175.413 174.600 -0.044 0.000 1.314 4486 S CA 0.450 58.620 58.200 -0.051 0.000 0.992 4486 S CB 0.757 63.934 63.200 -0.039 0.000 0.935 4486 S HN 0.772 nan 8.310 nan 0.000 0.564 4487 E N 0.117 120.299 120.200 -0.030 0.000 2.338 4487 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 4487 E C 1.747 178.335 176.600 -0.021 0.000 1.007 4487 E CA 1.357 57.742 56.400 -0.024 0.000 0.849 4487 E CB -0.203 29.491 29.700 -0.010 0.000 0.774 4487 E HN 0.804 nan 8.360 nan 0.000 0.506 4488 E N 0.016 120.208 120.200 -0.013 0.000 2.112 4488 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 4488 E C 1.746 178.314 176.600 -0.053 0.000 0.979 4488 E CA 0.753 57.147 56.400 -0.010 0.000 0.814 4488 E CB 0.024 29.746 29.700 0.036 0.000 0.762 4488 E HN 0.346 nan 8.360 nan 0.000 0.460 4489 E N 0.215 120.395 120.200 -0.032 0.000 2.107 4489 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 4489 E C 2.153 178.710 176.600 -0.071 0.000 0.982 4489 E CA 0.532 56.894 56.400 -0.063 0.000 0.809 4489 E CB 0.103 29.816 29.700 0.021 0.000 0.756 4489 E HN 0.301 nan 8.360 nan 0.000 0.459 4490 I N 0.465 120.983 120.570 -0.087 0.000 2.142 4490 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 4490 I C 2.733 178.850 176.117 0.000 0.000 1.078 4490 I CA 1.003 62.224 61.300 -0.133 0.000 1.343 4490 I CB -0.266 37.634 38.000 -0.167 0.000 1.046 4490 I HN 0.044 nan 8.210 nan 0.000 0.405 4491 R N 0.789 121.283 120.500 -0.009 0.000 2.105 4491 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 4491 R C 2.317 178.602 176.300 -0.026 0.000 1.135 4491 R CA 1.585 57.686 56.100 0.002 0.000 0.967 4491 R CB -0.241 30.051 30.300 -0.012 0.000 0.861 4491 R HN 0.237 nan 8.270 nan 0.000 0.442 4492 L N 0.084 121.259 121.223 -0.080 0.000 2.056 4492 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 4492 L C 2.276 179.114 176.870 -0.052 0.000 1.078 4492 L CA 2.137 56.910 54.840 -0.113 0.000 0.749 4492 L CB -0.792 41.090 42.059 -0.296 0.000 0.901 4492 L HN 0.131 nan 8.230 nan 0.000 0.433 4493 S N -0.645 115.044 115.700 -0.018 0.000 2.359 4493 S HA -0.243 4.227 4.470 -0.000 0.000 0.224 4493 S C 2.092 176.688 174.600 -0.007 0.000 1.035 4493 S CA 1.649 59.858 58.200 0.015 0.000 1.018 4493 S CB -0.253 63.031 63.200 0.141 0.000 0.876 4493 S HN 0.536 nan 8.310 nan 0.000 0.448 4494 K N 0.285 120.714 120.400 0.047 0.000 2.103 4494 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 4494 K C 2.305 178.873 176.600 -0.054 0.000 1.048 4494 K CA 1.631 57.915 56.287 -0.005 0.000 0.930 4494 K CB -0.268 32.274 32.500 0.070 0.000 0.716 4494 K HN 0.486 nan 8.250 nan 0.000 0.444 4495 M N 0.703 120.267 119.600 -0.059 0.000 2.099 4495 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 4495 M C 1.960 178.219 176.300 -0.068 0.000 1.067 4495 M CA 1.445 56.670 55.300 -0.126 0.000 1.124 4495 M CB 0.103 32.656 32.600 -0.078 0.000 1.353 4495 M HN -0.075 nan 8.290 nan 0.000 0.410 4496 V N 0.992 120.906 119.914 0.002 0.000 2.343 4496 V HA -0.317 3.802 4.120 -0.000 0.000 0.247 4496 V C 2.420 178.498 176.094 -0.027 0.000 1.051 4496 V CA 1.938 64.235 62.300 -0.004 0.000 1.036 4496 V CB -0.711 30.919 31.823 -0.322 0.000 0.654 4496 V HN 0.562 nan 8.190 nan 0.000 0.451 4497 M N -1.034 118.497 119.600 -0.116 0.000 2.159 4497 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 4497 M C 2.366 178.697 176.300 0.051 0.000 1.063 4497 M CA 1.563 56.810 55.300 -0.088 0.000 1.110 4497 M CB -0.485 32.021 32.600 -0.156 0.000 1.374 4497 M HN 0.208 nan 8.290 nan 0.000 0.411 4498 K N 0.351 120.762 120.400 0.017 0.000 2.002 4498 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 4498 K C 1.850 178.532 176.600 0.137 0.000 1.048 4498 K CA 1.671 57.961 56.287 0.005 0.000 0.930 4498 K CB -0.484 31.930 32.500 -0.144 0.000 0.714 4498 K HN 0.313 nan 8.250 nan 0.000 0.438 4499 F N -0.348 119.735 119.950 0.222 0.000 2.095 4499 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 4499 F C 2.559 178.505 175.800 0.243 0.000 1.104 4499 F CA 0.743 58.912 58.000 0.281 0.000 1.232 4499 F CB -0.238 39.079 39.000 0.528 0.000 0.987 4499 F HN 0.262 nan 8.300 nan 0.000 0.475 4500 W N 0.057 121.449 121.300 0.153 0.000 2.355 4500 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 4500 W C 2.600 179.122 176.519 0.005 0.000 1.206 4500 W CA 1.123 58.477 57.345 0.015 0.000 1.284 4500 W CB -0.578 28.825 29.460 -0.094 0.000 1.145 4500 W HN -0.009 nan 8.180 nan 0.000 0.502 4501 A N 0.336 123.283 122.820 0.211 0.000 1.929 4501 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 4501 A C 1.698 179.323 177.584 0.067 0.000 1.176 4501 A CA 1.594 53.681 52.037 0.084 0.000 0.628 4501 A CB -0.896 18.136 19.000 0.054 0.000 0.816 4501 A HN 0.218 nan 8.150 nan 0.000 0.444 4502 N N -0.770 117.993 118.700 0.105 0.000 2.120 4502 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 4502 N C 1.373 176.906 175.510 0.038 0.000 1.024 4502 N CA 1.377 54.470 53.050 0.073 0.000 0.852 4502 N CB -0.598 37.958 38.487 0.114 0.000 1.003 4502 N HN 0.499 nan 8.380 nan 0.000 0.424 4503 F N 1.741 121.607 119.950 -0.140 0.000 2.134 4503 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 4503 F C 2.171 177.874 175.800 -0.163 0.000 1.097 4503 F CA 1.213 59.063 58.000 -0.251 0.000 1.264 4503 F CB -0.558 38.192 39.000 -0.416 0.000 1.001 4503 F HN 0.037 nan 8.300 nan 0.000 0.479 4504 A N 1.121 123.888 122.820 -0.089 0.000 1.940 4504 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 4504 A C 2.266 179.767 177.584 -0.138 0.000 1.176 4504 A CA 1.989 53.942 52.037 -0.141 0.000 0.631 4504 A CB -0.706 18.252 19.000 -0.070 0.000 0.814 4504 A HN 0.603 nan 8.150 nan 0.000 0.446 4505 R N -2.003 118.438 120.500 -0.098 0.000 2.237 4505 R HA 0.192 4.532 4.340 -0.000 0.000 0.195 4505 R C 0.609 176.847 176.300 -0.102 0.000 0.956 4505 R CA 0.934 56.986 56.100 -0.080 0.000 1.029 4505 R CB -0.089 30.189 30.300 -0.036 0.000 0.972 4505 R HN 0.373 nan 8.270 nan 0.000 0.493 4506 N N -0.047 118.575 118.700 -0.130 0.000 2.193 4506 N HA 0.092 4.832 4.740 -0.000 0.000 0.210 4506 N C 0.710 176.113 175.510 -0.178 0.000 1.215 4506 N CA 0.864 53.845 53.050 -0.115 0.000 0.901 4506 N CB 1.670 40.125 38.487 -0.054 0.000 1.060 4506 N HN 0.422 nan 8.380 nan 0.000 0.508 4507 G N 1.532 110.106 108.800 -0.378 0.000 2.148 4507 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 4507 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 4507 G C -0.112 174.663 174.900 -0.209 0.000 0.981 4507 G CA 0.231 44.999 45.100 -0.553 0.000 0.670 4507 G HN 0.429 nan 8.290 nan 0.000 0.528 4508 N N -0.240 118.388 118.700 -0.119 0.000 2.500 4508 N HA 0.408 5.148 4.740 -0.000 0.000 0.291 4508 N C -1.420 173.994 175.510 -0.160 0.000 1.092 4508 N CA -1.481 51.490 53.050 -0.131 0.000 0.890 4508 N CB 2.390 40.882 38.487 0.007 0.000 1.466 4508 N HN -0.044 nan 8.380 nan 0.000 0.507 4509 P HA -0.079 nan 4.420 nan 0.000 0.222 4509 P C -0.201 177.222 177.300 0.204 0.000 1.147 4509 P CA 0.605 63.583 63.100 -0.203 0.000 0.790 4509 P CB 0.338 31.521 31.700 -0.862 0.000 0.780 4510 N N 0.676 119.435 118.700 0.099 0.000 2.453 4510 N HA 0.295 5.035 4.740 -0.000 0.000 0.253 4510 N C 0.964 176.582 175.510 0.179 0.000 1.252 4510 N CA 1.053 54.248 53.050 0.242 0.000 0.917 4510 N CB 0.669 39.269 38.487 0.188 0.000 1.117 4510 N HN 0.158 nan 8.380 nan 0.000 0.442 4511 G N -0.034 108.869 108.800 0.172 0.000 2.430 4511 G HA2 0.264 4.224 3.960 -0.000 0.000 0.300 4511 G HA3 0.264 4.224 3.960 -0.000 0.000 0.300 4511 G C -1.440 173.508 174.900 0.080 0.000 1.330 4511 G CA -0.731 44.429 45.100 0.100 0.000 0.813 4511 G HN 0.564 nan 8.290 nan 0.000 0.487 4512 E N -0.770 119.461 120.200 0.051 0.000 2.398 4512 E HA 0.455 4.805 4.350 -0.000 0.000 0.263 4512 E C 1.088 177.697 176.600 0.014 0.000 1.046 4512 E CA 0.634 57.058 56.400 0.041 0.000 0.908 4512 E CB 0.947 30.667 29.700 0.033 0.000 0.963 4512 E HN 2.252 nan 8.360 nan 0.000 0.431 4513 G N 1.816 110.627 108.800 0.018 0.000 2.143 4513 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 4513 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 4513 G C -0.267 174.612 174.900 -0.035 0.000 0.991 4513 G CA 0.412 45.510 45.100 -0.004 0.000 0.689 4513 G HN 0.428 nan 8.290 nan 0.000 0.522 4514 L N 0.780 121.995 121.223 -0.014 0.000 2.401 4514 L HA 0.566 4.906 4.340 -0.000 0.000 0.266 4514 L C -1.740 175.220 176.870 0.150 0.000 0.991 4514 L CA -2.385 52.425 54.840 -0.050 0.000 0.818 4514 L CB 2.164 44.051 42.059 -0.286 0.000 1.321 4514 L HN -0.073 nan 8.230 nan 0.000 0.413 4515 P HA -0.001 nan 4.420 nan 0.000 0.269 4515 P C -0.910 176.628 177.300 0.396 0.000 1.215 4515 P CA -0.178 63.084 63.100 0.270 0.000 0.780 4515 P CB 0.436 32.270 31.700 0.222 0.000 0.898 4516 H N 1.515 120.730 119.070 0.240 0.000 2.929 4516 H HA 0.124 4.680 4.556 -0.000 0.000 0.317 4516 H C -0.897 174.610 175.328 0.299 0.000 1.031 4516 H CA 0.240 56.447 56.048 0.265 0.000 1.466 4516 H CB 0.144 30.015 29.762 0.182 0.000 1.482 4516 H HN 0.371 nan 8.280 nan 0.000 0.561 4517 W N 9.909 130.917 121.300 -0.486 0.000 2.318 4517 W HA 0.316 4.976 4.660 -0.000 0.000 0.315 4517 W C -2.826 173.454 176.519 -0.399 0.000 1.033 4517 W CA -3.233 53.904 57.345 -0.347 0.000 1.275 4517 W CB 0.939 30.154 29.460 -0.409 0.000 1.250 4517 W HN 0.564 nan 8.180 nan 0.000 0.421 4518 P HA 0.068 nan 4.420 nan 0.000 0.274 4518 P C -0.427 177.059 177.300 0.310 0.000 1.231 4518 P CA 0.057 63.333 63.100 0.294 0.000 0.790 4518 P CB 1.451 33.328 31.700 0.296 0.000 0.951 4519 E N 1.548 121.797 120.200 0.081 0.000 2.373 4519 E HA -0.022 4.328 4.350 -0.000 0.000 0.267 4519 E C -0.816 175.730 176.600 -0.091 0.000 1.032 4519 E CA -0.526 55.673 56.400 -0.333 0.000 0.889 4519 E CB 0.205 29.705 29.700 -0.333 0.000 0.984 4519 E HN 0.366 nan 8.360 nan 0.000 0.425 4520 Y N 6.230 126.387 120.300 -0.238 0.000 2.603 4520 Y HA 0.013 4.563 4.550 -0.000 0.000 0.341 4520 Y C -0.141 175.729 175.900 -0.050 0.000 1.272 4520 Y CA -0.344 57.728 58.100 -0.047 0.000 1.891 4520 Y CB -0.807 37.645 38.460 -0.012 0.000 1.910 4520 Y HN 0.491 nan 8.280 nan 0.000 0.432 4521 N N 0.045 118.637 118.700 -0.180 0.000 2.577 4521 N HA 0.032 4.772 4.740 -0.000 0.000 0.296 4521 N C 0.922 176.287 175.510 -0.240 0.000 1.357 4521 N CA -0.111 52.848 53.050 -0.152 0.000 0.896 4521 N CB 0.029 38.467 38.487 -0.082 0.000 1.102 4521 N HN 0.228 nan 8.380 nan 0.000 0.506 4522 Q N -0.101 119.616 119.800 -0.140 0.000 2.167 4522 Q HA -0.005 4.335 4.340 -0.000 0.000 0.202 4522 Q C 1.240 177.157 176.000 -0.138 0.000 0.970 4522 Q CA 1.373 57.101 55.803 -0.126 0.000 0.855 4522 Q CB -0.402 28.298 28.738 -0.064 0.000 0.911 4522 Q HN 0.619 nan 8.270 nan 0.000 0.438 4523 K N 0.868 121.199 120.400 -0.114 0.000 2.504 4523 K HA -0.047 4.273 4.320 -0.000 0.000 0.195 4523 K C -0.078 176.451 176.600 -0.117 0.000 1.036 4523 K CA 0.026 56.267 56.287 -0.076 0.000 0.984 4523 K CB 0.090 32.573 32.500 -0.029 0.000 0.788 4523 K HN 0.234 nan 8.250 nan 0.000 0.488 4524 E N 0.152 120.169 120.200 -0.306 0.000 2.269 4524 E HA -0.171 4.179 4.350 -0.000 0.000 0.223 4524 E C 0.020 176.582 176.600 -0.063 0.000 1.244 4524 E CA 0.167 56.225 56.400 -0.570 0.000 0.713 4524 E CB -1.594 27.856 29.700 -0.417 0.000 1.178 4524 E HN 0.513 nan 8.360 nan 0.000 0.370 4525 G N 0.813 109.636 108.800 0.039 0.000 2.390 4525 G HA2 0.410 4.370 3.960 -0.000 0.000 0.270 4525 G HA3 0.410 4.370 3.960 -0.000 0.000 0.270 4525 G C -0.304 174.842 174.900 0.411 0.000 1.211 4525 G CA -0.205 45.016 45.100 0.202 0.000 0.842 4525 G HN 0.299 nan 8.290 nan 0.000 0.519 4526 Y N 0.527 120.955 120.300 0.213 0.000 2.665 4526 Y HA 0.767 5.317 4.550 -0.000 0.000 0.336 4526 Y C -1.078 174.808 175.900 -0.023 0.000 1.085 4526 Y CA -1.939 56.283 58.100 0.203 0.000 1.096 4526 Y CB 1.764 40.336 38.460 0.185 0.000 1.301 4526 Y HN 0.501 nan 8.280 nan 0.000 0.493 4527 L N 2.230 123.291 121.223 -0.271 0.000 2.295 4527 L HA 0.443 4.783 4.340 -0.000 0.000 0.285 4527 L C -0.901 175.792 176.870 -0.295 0.000 1.035 4527 L CA -0.504 53.968 54.840 -0.613 0.000 0.806 4527 L CB 1.686 42.839 42.059 -1.509 0.000 1.214 4527 L HN 0.762 nan 8.230 nan 0.000 0.426 4528 Q N 6.010 125.652 119.800 -0.264 0.000 2.331 4528 Q HA 0.475 4.815 4.340 -0.000 0.000 0.257 4528 Q C -1.076 174.880 176.000 -0.074 0.000 0.957 4528 Q CA -0.161 55.599 55.803 -0.072 0.000 0.923 4528 Q CB 1.607 30.297 28.738 -0.080 0.000 1.212 4528 Q HN 0.596 nan 8.270 nan 0.000 0.443 4529 I N 1.942 122.507 120.570 -0.009 0.000 2.354 4529 I HA 0.657 4.827 4.170 -0.000 0.000 0.292 4529 I C 0.587 176.619 176.117 -0.141 0.000 0.989 4529 I CA -0.315 60.975 61.300 -0.017 0.000 1.188 4529 I CB 1.533 39.600 38.000 0.112 0.000 1.342 4529 I HN 0.750 nan 8.210 nan 0.000 0.457 4530 G N 3.257 111.980 108.800 -0.128 0.000 2.474 4530 G HA2 0.411 4.371 3.960 -0.000 0.000 0.234 4530 G HA3 0.411 4.371 3.960 -0.000 0.000 0.234 4530 G C 0.294 175.136 174.900 -0.096 0.000 1.204 4530 G CA 0.178 45.178 45.100 -0.168 0.000 0.939 4530 G HN 0.515 nan 8.290 nan 0.000 0.491 4531 A N -0.591 122.241 122.820 0.021 0.000 1.933 4531 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 4531 A C 0.889 178.476 177.584 0.004 0.000 1.175 4531 A CA 1.375 53.433 52.037 0.035 0.000 0.628 4531 A CB -0.351 18.725 19.000 0.126 0.000 0.814 4531 A HN 0.405 nan 8.150 nan 0.000 0.444 4532 N N 0.735 119.437 118.700 0.003 0.000 2.564 4532 N HA 0.262 5.002 4.740 -0.000 0.000 0.248 4532 N C -1.403 174.102 175.510 -0.009 0.000 0.986 4532 N CA 0.029 53.079 53.050 0.001 0.000 0.921 4532 N CB 1.363 39.852 38.487 0.003 0.000 1.136 4532 N HN 0.065 nan 8.380 nan 0.000 0.509 4533 T N 2.899 117.452 114.554 -0.002 0.000 2.767 4533 T HA 0.354 4.704 4.350 -0.000 0.000 0.288 4533 T C 0.233 174.930 174.700 -0.004 0.000 0.963 4533 T CA -0.506 61.591 62.100 -0.005 0.000 1.019 4533 T CB 1.005 69.896 68.868 0.038 0.000 0.923 4533 T HN 0.433 nan 8.240 nan 0.000 0.468 4534 Q N 1.555 121.326 119.800 -0.049 0.000 2.575 4534 Q HA 0.671 5.011 4.340 -0.000 0.000 0.290 4534 Q C -1.554 174.369 176.000 -0.130 0.000 0.963 4534 Q CA -1.190 54.584 55.803 -0.048 0.000 0.783 4534 Q CB 1.609 30.330 28.738 -0.028 0.000 1.467 4534 Q HN 0.593 nan 8.270 nan 0.000 0.402 4535 A N 0.541 123.302 122.820 -0.098 0.000 2.351 4535 A HA 0.814 5.134 4.320 -0.000 0.000 0.257 4535 A C -0.308 177.135 177.584 -0.234 0.000 1.087 4535 A CA 0.521 52.462 52.037 -0.161 0.000 0.798 4535 A CB 0.352 19.347 19.000 -0.009 0.000 1.033 4535 A HN 1.127 nan 8.150 nan 0.000 0.488 4536 A N 0.616 123.184 122.820 -0.421 0.000 2.535 4536 A HA 0.796 5.116 4.320 -0.000 0.000 0.296 4536 A C -0.791 176.628 177.584 -0.275 0.000 1.248 4536 A CA -0.546 51.233 52.037 -0.429 0.000 0.686 4536 A CB 1.003 19.567 19.000 -0.726 0.000 1.315 4536 A HN 0.838 nan 8.150 nan 0.000 0.460 4537 Q N -0.562 119.244 119.800 0.011 0.000 2.462 4537 Q HA 0.505 4.845 4.340 -0.000 0.000 0.285 4537 Q C -1.432 174.801 176.000 0.387 0.000 1.035 4537 Q CA -0.978 54.966 55.803 0.235 0.000 0.799 4537 Q CB 2.111 30.913 28.738 0.106 0.000 1.452 4537 Q HN 0.643 nan 8.270 nan 0.000 0.404 4538 K N 1.041 121.620 120.400 0.299 0.000 3.451 4538 K HA -0.220 4.100 4.320 -0.000 0.000 0.273 4538 K C -0.527 176.171 176.600 0.162 0.000 0.944 4538 K CA 0.046 56.453 56.287 0.200 0.000 0.734 4538 K CB -1.258 31.317 32.500 0.124 0.000 1.437 4538 K HN 0.420 nan 8.250 nan 0.000 0.454 4539 L N 1.621 122.858 121.223 0.024 0.000 2.540 4539 L HA -0.017 4.323 4.340 -0.000 0.000 0.276 4539 L C 0.533 177.343 176.870 -0.099 0.000 1.212 4539 L CA 0.690 55.330 54.840 -0.333 0.000 0.893 4539 L CB 0.344 41.774 42.059 -1.049 0.000 1.138 4539 L HN 0.312 nan 8.230 nan 0.000 0.491 4540 K N 2.948 123.325 120.400 -0.039 0.000 3.020 4540 K HA -0.296 4.024 4.320 -0.000 0.000 0.266 4540 K C 0.968 177.619 176.600 0.086 0.000 1.067 4540 K CA 1.231 57.544 56.287 0.043 0.000 0.780 4540 K CB -1.613 30.909 32.500 0.036 0.000 1.220 4540 K HN 0.973 nan 8.250 nan 0.000 0.483 4541 D N 0.987 121.436 120.400 0.081 0.000 2.117 4541 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 4541 D C 1.348 177.708 176.300 0.100 0.000 0.987 4541 D CA 1.112 55.168 54.000 0.094 0.000 0.829 4541 D CB 0.465 41.316 40.800 0.085 0.000 0.961 4541 D HN 0.213 nan 8.370 nan 0.000 0.460 4542 K N 0.711 121.163 120.400 0.086 0.000 1.984 4542 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 4542 K C 2.223 178.906 176.600 0.138 0.000 1.046 4542 K CA 0.874 57.208 56.287 0.078 0.000 0.934 4542 K CB -0.692 31.822 32.500 0.024 0.000 0.717 4542 K HN 0.129 nan 8.250 nan 0.000 0.438 4543 E N 0.984 121.289 120.200 0.175 0.000 2.086 4543 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 4543 E C 2.111 178.992 176.600 0.467 0.000 1.012 4543 E CA 1.244 57.858 56.400 0.358 0.000 0.812 4543 E CB -0.661 29.284 29.700 0.409 0.000 0.743 4543 E HN -0.020 nan 8.360 nan 0.000 0.453 4544 V N 0.858 120.960 119.914 0.314 0.000 2.287 4544 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 4544 V C 2.200 178.437 176.094 0.238 0.000 1.053 4544 V CA 1.989 64.454 62.300 0.275 0.000 1.027 4544 V CB -0.951 30.979 31.823 0.177 0.000 0.646 4544 V HN 0.414 nan 8.190 nan 0.000 0.447 4545 A N -0.365 122.561 122.820 0.178 0.000 1.865 4545 A HA -0.262 4.057 4.320 -0.000 0.000 0.217 4545 A C 2.114 179.758 177.584 0.099 0.000 1.191 4545 A CA 2.189 54.299 52.037 0.121 0.000 0.623 4545 A CB -0.822 18.236 19.000 0.096 0.000 0.826 4545 A HN 0.527 nan 8.150 nan 0.000 0.444 4546 F N -0.626 119.296 119.950 -0.046 0.000 2.027 4546 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 4546 F C 2.079 177.730 175.800 -0.247 0.000 1.129 4546 F CA 2.108 59.986 58.000 -0.204 0.000 1.195 4546 F CB -0.836 37.952 39.000 -0.355 0.000 0.960 4546 F HN 0.401 nan 8.300 nan 0.000 0.485 4547 W N 0.426 121.643 121.300 -0.138 0.000 2.338 4547 W HA -0.180 4.480 4.660 -0.000 0.000 0.304 4547 W C 2.653 179.014 176.519 -0.263 0.000 1.212 4547 W CA 1.806 58.933 57.345 -0.363 0.000 1.264 4547 W CB -1.149 28.278 29.460 -0.055 0.000 1.142 4547 W HN -0.090 nan 8.180 nan 0.000 0.512 4548 T N -0.144 114.512 114.554 0.169 0.000 2.833 4548 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 4548 T C 1.393 176.118 174.700 0.042 0.000 1.054 4548 T CA 1.738 63.933 62.100 0.158 0.000 1.135 4548 T CB -0.482 68.466 68.868 0.133 0.000 0.869 4548 T HN 0.147 nan 8.240 nan 0.000 0.466 4549 N N 0.590 119.242 118.700 -0.080 0.000 2.216 4549 N HA -0.007 4.733 4.740 -0.000 0.000 0.183 4549 N C 1.659 177.039 175.510 -0.217 0.000 1.017 4549 N CA 0.605 53.576 53.050 -0.131 0.000 0.861 4549 N CB -0.352 38.042 38.487 -0.155 0.000 0.986 4549 N HN 0.201 nan 8.380 nan 0.000 0.428 4550 L N -0.252 120.704 121.223 -0.445 0.000 2.005 4550 L HA 0.118 4.458 4.340 -0.000 0.000 0.207 4550 L C 1.549 178.300 176.870 -0.200 0.000 1.072 4550 L CA 1.602 56.147 54.840 -0.492 0.000 0.744 4550 L CB -0.924 40.575 42.059 -0.934 0.000 0.895 4550 L HN 0.199 nan 8.230 nan 0.000 0.433 4551 F N -0.445 119.501 119.950 -0.006 0.000 2.529 4551 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 4551 F C 2.155 177.961 175.800 0.010 0.000 1.114 4551 F CA 0.298 58.319 58.000 0.036 0.000 1.467 4551 F CB -0.398 38.638 39.000 0.061 0.000 1.096 4551 F HN 0.263 nan 8.300 nan 0.000 0.586 4552 A N -0.079 122.817 122.820 0.127 0.000 2.251 4552 A HA 0.039 4.359 4.320 -0.000 0.000 0.209 4552 A C 1.153 178.766 177.584 0.048 0.000 1.187 4552 A CA -0.082 52.001 52.037 0.076 0.000 0.823 4552 A CB -0.254 18.768 19.000 0.037 0.000 0.846 4552 A HN 0.280 nan 8.150 nan 0.000 0.486 4553 K N 0.000 120.425 120.400 0.042 0.000 2.780 4553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4553 K CA 0.000 56.302 56.287 0.025 0.000 0.838 4553 K CB 0.000 32.533 32.500 0.055 0.000 1.064 4553 K HN 0.000 nan 8.250 nan 0.000 0.543