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 3err_1_A DATA FIRST_RESID 3 DATA SEQUENCE DLKRLRQEPE VFHRAIREKG VALDLEALLA VDXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XLEALLLQVP DATA SEQUENCE LPPWPGAPVG GEEANREIKR VGGPPEFSFP PLDHVALMEK NGWWEPRISQ DATA SEQUENCE VSGSRSYALK GDLALYELAL LRFAMDFMAR RGFLPMTLPS YAREKAFLGT DATA SEQUENCE GHFPAYRDQV WAIAETDLYL TGTAEVVLNA LHSGEILPYE ALPLRYAGYA DATA SEQUENCE PAFRSEAGSF GKDVRGLMRV HQFHKVEQYV LTEASLEASD RAFQELLENA DATA SEQUENCE EEILRLLELP YRLVEVATGD MGPGKWRQVD IEVYLPSEGR YRETHSCSAL DATA SEQUENCE LDWQARRANL RYRDPEGRVR YAYTLNNTAL ATPRILAMLL ENHQLQDGRV DATA SEQUENCE RVPQALIPYM GKEVLEPGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXEQL HKQQEVIADK QMSVKEDLDK VEPAVIEAQN AVKSIKKQHL DATA SEQUENCE VEVRSMANPP AAVKLALESI ALLLGESTTD WKQIRSIIMR ENFIPTIVNF DATA SEQUENCE SAEEISDAIR EKMKKNYMSN PSYNYEIVNR ASLAAGPMVK WAIAQLNYAD DATA SEQUENCE MLKRVEPLRN ELQKLEDDAK DNQQK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.258 176.300 -0.070 0.000 2.045 3 D CA 0.000 53.980 54.000 -0.033 0.000 0.868 3 D CB 0.000 40.824 40.800 0.039 0.000 0.688 4 L N 2.966 124.153 121.223 -0.059 0.000 1.971 4 L HA -0.172 4.169 4.340 0.001 0.000 0.215 4 L C 2.545 179.382 176.870 -0.054 0.000 1.072 4 L CA 1.755 56.553 54.840 -0.070 0.000 0.758 4 L CB -0.205 41.826 42.059 -0.046 0.000 0.889 4 L HN 0.458 nan 8.230 nan 0.000 0.433 5 K N 0.124 120.510 120.400 -0.024 0.000 2.113 5 K HA -0.224 4.096 4.320 0.001 0.000 0.208 5 K C 2.200 178.806 176.600 0.009 0.000 1.047 5 K CA 1.553 57.836 56.287 -0.007 0.000 0.928 5 K CB -0.064 32.438 32.500 0.004 0.000 0.716 5 K HN 0.221 nan 8.250 nan 0.000 0.446 6 R N -0.078 120.436 120.500 0.023 0.000 2.148 6 R HA -0.054 4.286 4.340 0.001 0.000 0.223 6 R C 2.125 178.476 176.300 0.086 0.000 1.088 6 R CA 0.646 56.795 56.100 0.082 0.000 0.985 6 R CB -0.131 30.247 30.300 0.132 0.000 0.880 6 R HN 0.152 nan 8.270 nan 0.000 0.451 7 L N 0.732 121.908 121.223 -0.080 0.000 2.156 7 L HA -0.072 4.268 4.340 0.001 0.000 0.208 7 L C 2.117 178.951 176.870 -0.059 0.000 1.095 7 L CA 1.580 56.288 54.840 -0.220 0.000 0.770 7 L CB -0.313 41.531 42.059 -0.358 0.000 0.914 7 L HN 0.051 nan 8.230 nan 0.000 0.439 8 R N -1.286 119.198 120.500 -0.027 0.000 2.055 8 R HA -0.043 4.298 4.340 0.001 0.000 0.226 8 R C 1.909 178.224 176.300 0.025 0.000 1.135 8 R CA 0.757 56.854 56.100 -0.005 0.000 0.959 8 R CB -0.399 29.895 30.300 -0.010 0.000 0.854 8 R HN 0.376 nan 8.270 nan 0.000 0.431 9 Q N 0.882 120.705 119.800 0.039 0.000 2.439 9 Q HA -0.084 4.257 4.340 0.001 0.000 0.211 9 Q C -0.209 175.833 176.000 0.069 0.000 0.978 9 Q CA 1.034 56.866 55.803 0.049 0.000 0.897 9 Q CB 0.207 28.974 28.738 0.049 0.000 0.956 9 Q HN 0.451 nan 8.270 nan 0.000 0.483 10 E N 0.223 120.487 120.200 0.106 0.000 2.731 10 E HA 0.118 4.468 4.350 0.001 0.000 0.248 10 E C -2.029 174.660 176.600 0.148 0.000 1.084 10 E CA -1.333 55.150 56.400 0.139 0.000 0.776 10 E CB 1.429 31.256 29.700 0.211 0.000 1.404 10 E HN 0.005 nan 8.360 nan 0.000 0.395 11 P HA 0.002 nan 4.420 nan 0.000 0.220 11 P C 0.693 177.831 177.300 -0.269 0.000 1.154 11 P CA 0.680 63.697 63.100 -0.138 0.000 0.837 11 P CB 0.699 32.375 31.700 -0.039 0.000 0.815 12 E N 0.535 120.716 120.200 -0.033 0.000 2.007 12 E HA -0.106 4.244 4.350 0.001 0.000 0.194 12 E C 2.253 178.855 176.600 0.002 0.000 0.999 12 E CA 0.929 57.357 56.400 0.047 0.000 0.811 12 E CB -1.696 28.038 29.700 0.057 0.000 0.762 12 E HN -0.139 nan 8.360 nan 0.000 0.450 13 V N 0.517 120.401 119.914 -0.051 0.000 2.313 13 V HA -0.305 3.815 4.120 0.001 0.000 0.253 13 V C 1.972 177.931 176.094 -0.226 0.000 1.070 13 V CA 1.993 64.194 62.300 -0.165 0.000 1.057 13 V CB -0.505 31.147 31.823 -0.285 0.000 0.653 13 V HN 0.213 nan 8.190 nan 0.000 0.450 14 F N -1.333 118.580 119.950 -0.061 0.000 2.367 14 F HA -0.020 4.507 4.527 0.001 0.000 0.298 14 F C 2.407 178.213 175.800 0.009 0.000 1.094 14 F CA 1.184 59.160 58.000 -0.040 0.000 1.409 14 F CB -0.535 38.427 39.000 -0.064 0.000 1.064 14 F HN 0.232 nan 8.300 nan 0.000 0.528 15 H N 0.198 119.372 119.070 0.174 0.000 2.321 15 H HA -0.036 4.521 4.556 0.001 0.000 0.300 15 H C 2.334 177.697 175.328 0.060 0.000 1.087 15 H CA 1.334 57.444 56.048 0.104 0.000 1.319 15 H CB -0.407 29.399 29.762 0.072 0.000 1.379 15 H HN 0.200 nan 8.280 nan 0.000 0.501 16 R N 0.262 120.854 120.500 0.152 0.000 2.075 16 R HA -0.024 4.317 4.340 0.001 0.000 0.232 16 R C 2.525 178.843 176.300 0.031 0.000 1.126 16 R CA 0.980 57.117 56.100 0.061 0.000 0.963 16 R CB -0.277 30.031 30.300 0.014 0.000 0.858 16 R HN 0.238 nan 8.270 nan 0.000 0.435 17 A N 1.321 124.152 122.820 0.017 0.000 1.908 17 A HA -0.170 4.150 4.320 0.001 0.000 0.218 17 A C 2.154 179.776 177.584 0.063 0.000 1.181 17 A CA 1.347 53.393 52.037 0.015 0.000 0.627 17 A CB -0.488 18.509 19.000 -0.004 0.000 0.818 17 A HN 0.188 nan 8.150 nan 0.000 0.445 18 I N -1.057 119.583 120.570 0.117 0.000 2.202 18 I HA -0.247 3.923 4.170 0.001 0.000 0.242 18 I C 2.805 178.967 176.117 0.074 0.000 1.091 18 I CA 1.296 62.667 61.300 0.118 0.000 1.368 18 I CB -0.287 37.812 38.000 0.164 0.000 1.058 18 I HN 0.279 nan 8.210 nan 0.000 0.410 19 R N 0.550 121.090 120.500 0.066 0.000 2.073 19 R HA -0.186 4.155 4.340 0.001 0.000 0.234 19 R C 2.219 178.527 176.300 0.013 0.000 1.134 19 R CA 1.580 57.701 56.100 0.034 0.000 0.952 19 R CB -0.412 29.904 30.300 0.027 0.000 0.850 19 R HN 0.399 nan 8.270 nan 0.000 0.433 20 E N 0.744 120.946 120.200 0.002 0.000 2.070 20 E HA -0.207 4.143 4.350 0.001 0.000 0.197 20 E C 1.649 178.239 176.600 -0.018 0.000 1.004 20 E CA 1.425 57.812 56.400 -0.022 0.000 0.805 20 E CB 0.064 29.737 29.700 -0.045 0.000 0.744 20 E HN 0.272 nan 8.360 nan 0.000 0.451 21 K N -0.704 119.694 120.400 -0.004 0.000 2.487 21 K HA 0.054 4.374 4.320 0.001 0.000 0.192 21 K C 0.885 177.490 176.600 0.008 0.000 1.027 21 K CA 0.532 56.817 56.287 -0.002 0.000 1.054 21 K CB 0.565 33.063 32.500 -0.002 0.000 0.824 21 K HN 0.256 nan 8.250 nan 0.000 0.510 22 G N 1.900 110.707 108.800 0.012 0.000 2.221 22 G HA2 -0.233 3.728 3.960 0.001 0.000 0.265 22 G HA3 -0.233 3.728 3.960 0.001 0.000 0.265 22 G C -0.001 174.911 174.900 0.020 0.000 1.041 22 G CA -0.041 45.066 45.100 0.013 0.000 0.807 22 G HN 0.138 nan 8.290 nan 0.000 0.502 23 V N 0.748 120.682 119.914 0.034 0.000 2.408 23 V HA 0.598 4.719 4.120 0.001 0.000 0.267 23 V C 1.022 177.144 176.094 0.047 0.000 1.047 23 V CA -0.079 62.248 62.300 0.044 0.000 0.937 23 V CB 1.249 33.114 31.823 0.070 0.000 0.999 23 V HN 1.083 nan 8.190 nan 0.000 0.472 24 A N 6.851 129.692 122.820 0.036 0.000 2.544 24 A HA 0.575 4.896 4.320 0.001 0.000 0.301 24 A C -0.615 176.997 177.584 0.046 0.000 1.368 24 A CA 0.028 52.086 52.037 0.035 0.000 1.045 24 A CB -0.371 18.643 19.000 0.022 0.000 1.129 24 A HN 0.722 nan 8.150 nan 0.000 0.540 25 L N 2.722 123.983 121.223 0.062 0.000 2.441 25 L HA 0.465 4.805 4.340 0.001 0.000 0.270 25 L C -1.166 175.750 176.870 0.077 0.000 0.973 25 L CA -0.433 54.450 54.840 0.070 0.000 0.842 25 L CB 2.042 44.156 42.059 0.091 0.000 1.239 25 L HN 0.548 nan 8.230 nan 0.000 0.406 26 D N 3.902 124.338 120.400 0.061 0.000 2.393 26 D HA 0.111 4.751 4.640 0.001 0.000 0.232 26 D C 0.827 177.172 176.300 0.075 0.000 1.192 26 D CA -0.175 53.863 54.000 0.064 0.000 0.882 26 D CB 1.072 41.897 40.800 0.041 0.000 1.038 26 D HN 0.604 nan 8.370 nan 0.000 0.499 27 L N 4.240 125.534 121.223 0.119 0.000 2.156 27 L HA -0.005 4.335 4.340 0.001 0.000 0.208 27 L C 1.557 178.471 176.870 0.074 0.000 1.095 27 L CA 1.705 56.602 54.840 0.096 0.000 0.770 27 L CB -0.179 41.957 42.059 0.129 0.000 0.914 27 L HN 0.282 nan 8.230 nan 0.000 0.439 28 E N 0.039 120.301 120.200 0.103 0.000 2.150 28 E HA -0.096 4.255 4.350 0.001 0.000 0.193 28 E C 2.209 178.834 176.600 0.041 0.000 0.985 28 E CA 1.298 57.739 56.400 0.069 0.000 0.814 28 E CB -0.425 29.317 29.700 0.071 0.000 0.752 28 E HN 0.614 nan 8.360 nan 0.000 0.466 29 A N 0.481 123.324 122.820 0.038 0.000 1.930 29 A HA -0.053 4.268 4.320 0.001 0.000 0.215 29 A C 2.068 179.665 177.584 0.021 0.000 1.176 29 A CA 0.717 52.770 52.037 0.027 0.000 0.632 29 A CB -0.509 18.506 19.000 0.025 0.000 0.819 29 A HN 0.257 nan 8.150 nan 0.000 0.445 30 L N 0.140 121.376 121.223 0.021 0.000 1.971 30 L HA -0.180 4.161 4.340 0.001 0.000 0.215 30 L C 2.270 179.141 176.870 0.002 0.000 1.072 30 L CA 2.009 56.855 54.840 0.009 0.000 0.758 30 L CB -0.578 41.481 42.059 -0.000 0.000 0.889 30 L HN 0.405 nan 8.230 nan 0.000 0.433 31 L N -0.775 120.448 121.223 -0.000 0.000 2.131 31 L HA -0.152 4.189 4.340 0.001 0.000 0.210 31 L C 2.613 179.487 176.870 0.006 0.000 1.092 31 L CA 1.040 55.877 54.840 -0.005 0.000 0.759 31 L CB -0.889 41.166 42.059 -0.006 0.000 0.903 31 L HN 0.417 nan 8.230 nan 0.000 0.435 32 A N -0.413 122.416 122.820 0.014 0.000 1.969 32 A HA -0.095 4.225 4.320 0.001 0.000 0.218 32 A C 2.320 179.915 177.584 0.019 0.000 1.169 32 A CA 1.229 53.276 52.037 0.017 0.000 0.635 32 A CB -0.594 18.418 19.000 0.019 0.000 0.810 32 A HN 0.188 nan 8.150 nan 0.000 0.445 33 V N 0.728 120.652 119.914 0.017 0.000 2.343 33 V HA -0.181 3.940 4.120 0.001 0.000 0.247 33 V C 1.402 177.510 176.094 0.024 0.000 1.051 33 V CA 1.778 64.089 62.300 0.018 0.000 1.036 33 V CB -0.908 30.924 31.823 0.015 0.000 0.654 33 V HN 0.744 nan 8.190 nan 0.000 0.451 95 E N 0.921 121.126 120.200 0.007 0.000 2.233 95 E HA -0.187 4.164 4.350 0.001 0.000 0.199 95 E C 1.714 178.318 176.600 0.008 0.000 1.004 95 E CA 1.491 57.893 56.400 0.004 0.000 0.819 95 E CB -0.127 29.578 29.700 0.009 0.000 0.738 95 E HN 0.624 nan 8.360 nan 0.000 0.478 96 A N 0.561 123.390 122.820 0.015 0.000 2.030 96 A HA 0.045 4.366 4.320 0.001 0.000 0.215 96 A C 2.085 179.685 177.584 0.027 0.000 1.164 96 A CA 0.173 52.224 52.037 0.023 0.000 0.697 96 A CB -0.179 18.834 19.000 0.022 0.000 0.827 96 A HN 0.083 nan 8.150 nan 0.000 0.457 97 L N -0.504 120.731 121.223 0.020 0.000 2.046 97 L HA -0.166 4.175 4.340 0.001 0.000 0.208 97 L C 2.414 179.297 176.870 0.022 0.000 1.077 97 L CA 1.069 55.923 54.840 0.023 0.000 0.747 97 L CB -0.499 41.569 42.059 0.015 0.000 0.896 97 L HN 0.350 nan 8.230 nan 0.000 0.432 98 L N -0.692 120.533 121.223 0.003 0.000 2.131 98 L HA -0.208 4.132 4.340 0.001 0.000 0.210 98 L C 2.160 179.026 176.870 -0.006 0.000 1.092 98 L CA 1.004 55.834 54.840 -0.017 0.000 0.759 98 L CB -0.247 41.788 42.059 -0.039 0.000 0.903 98 L HN 0.275 nan 8.230 nan 0.000 0.435 99 L N -0.887 120.342 121.223 0.010 0.000 2.599 99 L HA -0.071 4.270 4.340 0.001 0.000 0.230 99 L C 1.984 178.929 176.870 0.125 0.000 1.141 99 L CA 0.375 55.224 54.840 0.015 0.000 0.877 99 L CB -0.082 41.991 42.059 0.023 0.000 1.009 99 L HN 0.358 nan 8.230 nan 0.000 0.447 100 Q N -0.987 118.893 119.800 0.133 0.000 2.378 100 Q HA 0.090 4.430 4.340 0.001 0.000 0.216 100 Q C 0.471 176.612 176.000 0.236 0.000 0.892 100 Q CA -0.123 55.788 55.803 0.180 0.000 0.931 100 Q CB 0.854 29.659 28.738 0.111 0.000 1.086 100 Q HN 0.207 nan 8.270 nan 0.000 0.528 101 V N 4.934 124.976 119.914 0.213 0.000 2.509 101 V HA 0.000 4.121 4.120 0.001 0.000 0.297 101 V C -1.951 174.438 176.094 0.491 0.000 1.014 101 V CA -0.593 61.860 62.300 0.256 0.000 1.127 101 V CB -0.278 31.606 31.823 0.101 0.000 0.925 101 V HN 0.149 nan 8.190 nan 0.000 0.480 102 P HA 0.254 nan 4.420 nan 0.000 0.282 102 P C -0.502 176.974 177.300 0.293 0.000 1.249 102 P CA -0.751 62.498 63.100 0.248 0.000 0.806 102 P CB 1.263 33.046 31.700 0.138 0.000 0.984 103 L N 5.059 126.280 121.223 -0.003 0.000 2.453 103 L HA 0.284 4.625 4.340 0.001 0.000 0.272 103 L C -2.268 174.644 176.870 0.070 0.000 1.182 103 L CA -1.717 53.183 54.840 0.099 0.000 0.858 103 L CB -0.560 41.474 42.059 -0.041 0.000 1.120 103 L HN 0.261 nan 8.230 nan 0.000 0.474 104 P HA 0.123 nan 4.420 nan 0.000 0.264 104 P C -2.545 174.835 177.300 0.133 0.000 1.193 104 P CA -0.720 62.397 63.100 0.028 0.000 0.763 104 P CB -0.035 31.640 31.700 -0.043 0.000 0.810 105 P HA 0.032 nan 4.420 nan 0.000 0.276 105 P C -0.201 176.762 177.300 -0.561 0.000 1.244 105 P CA -0.567 62.434 63.100 -0.164 0.000 0.801 105 P CB 0.463 32.062 31.700 -0.169 0.000 1.006 106 W N 4.600 125.023 121.300 -1.461 0.000 2.231 106 W HA 0.067 4.728 4.660 0.001 0.000 0.341 106 W C -2.051 173.982 176.519 -0.810 0.000 1.298 106 W CA -1.568 54.620 57.345 -1.929 0.000 1.266 106 W CB -1.119 27.046 29.460 -2.159 0.000 1.172 106 W HN 0.370 nan 8.180 nan 0.000 0.568 107 P HA -0.062 nan 4.420 nan 0.000 0.223 107 P C 1.583 178.293 177.300 -0.983 0.000 1.151 107 P CA 2.097 64.803 63.100 -0.656 0.000 0.787 107 P CB -0.196 31.296 31.700 -0.347 0.000 0.788 108 G N -0.232 107.414 108.800 -1.922 0.000 2.813 108 G HA2 0.207 4.168 3.960 0.001 0.000 0.209 108 G HA3 0.207 4.168 3.960 0.001 0.000 0.209 108 G C 0.681 174.730 174.900 -1.418 0.000 1.150 108 G CA 0.231 44.124 45.100 -2.011 0.000 0.785 108 G HN 0.456 nan 8.290 nan 0.000 0.535 109 A N 0.858 122.853 122.820 -1.375 0.000 2.388 109 A HA 0.626 4.947 4.320 0.001 0.000 0.257 109 A C -2.179 175.219 177.584 -0.310 0.000 1.095 109 A CA -1.166 50.584 52.037 -0.479 0.000 0.791 109 A CB 0.458 19.317 19.000 -0.235 0.000 1.029 109 A HN 0.113 nan 8.150 nan 0.000 0.489 110 P HA 0.153 nan 4.420 nan 0.000 0.265 110 P C -0.738 176.493 177.300 -0.115 0.000 1.187 110 P CA 0.115 63.144 63.100 -0.119 0.000 0.766 110 P CB 0.484 32.149 31.700 -0.058 0.000 0.820 111 V N 3.575 123.425 119.914 -0.108 0.000 2.333 111 V HA 0.746 4.867 4.120 0.001 0.000 0.274 111 V C 0.812 176.871 176.094 -0.059 0.000 1.028 111 V CA 0.609 62.854 62.300 -0.091 0.000 0.851 111 V CB 0.297 32.060 31.823 -0.100 0.000 1.000 111 V HN 0.971 nan 8.190 nan 0.000 0.456 112 G N 3.446 112.219 108.800 -0.044 0.000 2.345 112 G HA2 0.477 4.437 3.960 0.001 0.000 0.285 112 G HA3 0.477 4.437 3.960 0.001 0.000 0.285 112 G C -0.146 174.743 174.900 -0.018 0.000 1.297 112 G CA -0.111 44.972 45.100 -0.028 0.000 0.875 112 G HN 0.898 nan 8.290 nan 0.000 0.506 113 G N -1.279 107.515 108.800 -0.009 0.000 2.494 113 G HA2 0.441 4.401 3.960 0.001 0.000 0.270 113 G HA3 0.441 4.401 3.960 0.001 0.000 0.270 113 G C 0.959 175.861 174.900 0.003 0.000 1.423 113 G CA 0.933 46.033 45.100 -0.000 0.000 1.055 113 G HN 0.765 nan 8.290 nan 0.000 0.536 114 E N 0.410 120.616 120.200 0.011 0.000 2.171 114 E HA -0.202 4.149 4.350 0.001 0.000 0.197 114 E C 2.118 178.725 176.600 0.011 0.000 0.997 114 E CA 1.661 58.070 56.400 0.015 0.000 0.810 114 E CB -0.126 29.587 29.700 0.022 0.000 0.738 114 E HN 0.620 nan 8.360 nan 0.000 0.467 115 E N 0.192 120.397 120.200 0.008 0.000 2.409 115 E HA -0.106 4.245 4.350 0.001 0.000 0.198 115 E C 1.312 177.912 176.600 0.000 0.000 1.024 115 E CA 0.997 57.401 56.400 0.006 0.000 0.861 115 E CB -0.190 29.513 29.700 0.004 0.000 0.788 115 E HN 0.258 nan 8.360 nan 0.000 0.521 116 A N 0.732 123.550 122.820 -0.004 0.000 2.308 116 A HA 0.085 4.405 4.320 0.001 0.000 0.217 116 A C 0.664 178.243 177.584 -0.007 0.000 1.216 116 A CA -0.430 51.600 52.037 -0.011 0.000 0.864 116 A CB -0.558 18.429 19.000 -0.022 0.000 0.902 116 A HN 0.206 nan 8.150 nan 0.000 0.499 117 N N 1.240 119.942 118.700 0.003 0.000 2.454 117 N HA 0.259 4.999 4.740 0.001 0.000 0.254 117 N C -0.138 175.376 175.510 0.007 0.000 1.228 117 N CA 0.282 53.338 53.050 0.010 0.000 0.900 117 N CB 0.309 38.806 38.487 0.018 0.000 1.089 117 N HN 0.578 nan 8.380 nan 0.000 0.449 118 R N 0.683 121.188 120.500 0.009 0.000 2.564 118 R HA 0.261 4.602 4.340 0.001 0.000 0.284 118 R C -1.123 175.177 176.300 -0.000 0.000 1.031 118 R CA -0.883 55.218 56.100 0.002 0.000 0.904 118 R CB 1.307 31.605 30.300 -0.004 0.000 1.199 118 R HN 0.467 nan 8.270 nan 0.000 0.443 119 E N 3.657 123.846 120.200 -0.018 0.000 2.480 119 E HA -0.025 4.326 4.350 0.001 0.000 0.258 119 E C 0.521 177.105 176.600 -0.026 0.000 0.984 119 E CA 0.011 56.386 56.400 -0.042 0.000 0.930 119 E CB 0.585 30.239 29.700 -0.076 0.000 0.936 119 E HN 0.732 nan 8.360 nan 0.000 0.466 120 I N 1.345 121.905 120.570 -0.016 0.000 4.070 120 I HA 0.365 4.535 4.170 0.001 0.000 0.328 120 I C 0.425 176.532 176.117 -0.017 0.000 1.298 120 I CA -0.339 60.961 61.300 0.000 0.000 1.173 120 I CB 0.293 38.315 38.000 0.036 0.000 1.051 120 I HN 0.205 nan 8.210 nan 0.000 0.409 121 K N 2.139 122.511 120.400 -0.047 0.000 2.587 121 K HA 0.542 4.863 4.320 0.001 0.000 0.276 121 K C -1.532 174.987 176.600 -0.135 0.000 0.956 121 K CA -0.734 55.514 56.287 -0.065 0.000 0.857 121 K CB 2.454 34.939 32.500 -0.025 0.000 1.431 121 K HN 0.328 nan 8.250 nan 0.000 0.420 122 R N 0.504 120.902 120.500 -0.170 0.000 2.651 122 R HA 0.657 4.998 4.340 0.001 0.000 0.278 122 R C -1.685 174.432 176.300 -0.304 0.000 1.010 122 R CA -0.982 54.961 56.100 -0.262 0.000 0.896 122 R CB 1.894 32.052 30.300 -0.237 0.000 1.211 122 R HN 0.152 nan 8.270 nan 0.000 0.456 123 V N 2.233 121.829 119.914 -0.530 0.000 2.525 123 V HA 0.733 4.854 4.120 0.001 0.000 0.299 123 V C 0.579 176.431 176.094 -0.403 0.000 1.034 123 V CA 0.347 62.333 62.300 -0.524 0.000 0.863 123 V CB 0.937 32.324 31.823 -0.727 0.000 0.999 123 V HN 1.210 nan 8.190 nan 0.000 0.423 124 G N 3.829 112.514 108.800 -0.193 0.000 2.741 124 G HA2 0.341 4.301 3.960 0.001 0.000 0.222 124 G HA3 0.341 4.301 3.960 0.001 0.000 0.222 124 G C 0.025 174.874 174.900 -0.084 0.000 1.364 124 G CA 0.059 45.098 45.100 -0.101 0.000 0.866 124 G HN 1.633 nan 8.290 nan 0.000 0.555 125 G N -1.451 107.296 108.800 -0.088 0.000 2.766 125 G HA2 0.797 4.758 3.960 0.001 0.000 0.288 125 G HA3 0.797 4.758 3.960 0.001 0.000 0.288 125 G C -3.180 171.554 174.900 -0.276 0.000 1.408 125 G CA -0.667 44.339 45.100 -0.156 0.000 0.852 125 G HN 0.644 nan 8.290 nan 0.000 0.487 126 P HA 0.141 nan 4.420 nan 0.000 0.258 126 P C -1.911 175.166 177.300 -0.373 0.000 1.172 126 P CA -0.335 62.319 63.100 -0.744 0.000 0.762 126 P CB 0.111 31.276 31.700 -0.892 0.000 0.764 127 P HA 0.043 nan 4.420 nan 0.000 0.269 127 P C -0.432 176.501 177.300 -0.612 0.000 1.217 127 P CA 0.191 63.008 63.100 -0.470 0.000 0.783 127 P CB 0.867 32.183 31.700 -0.641 0.000 0.898 128 E N 1.164 121.003 120.200 -0.602 0.000 2.176 128 E HA 0.374 4.725 4.350 0.001 0.000 0.267 128 E C -1.157 175.057 176.600 -0.644 0.000 0.893 128 E CA -0.625 55.464 56.400 -0.519 0.000 0.761 128 E CB 0.496 30.043 29.700 -0.255 0.000 1.133 128 E HN 0.198 nan 8.360 nan 0.000 0.409 129 F N 1.551 121.366 119.950 -0.225 0.000 2.432 129 F HA 0.195 4.722 4.527 0.000 0.000 0.329 129 F C 1.553 177.178 175.800 -0.291 0.000 1.076 129 F CA -0.657 57.088 58.000 -0.426 0.000 1.018 129 F CB 1.867 40.244 39.000 -1.039 0.000 1.201 129 F HN 0.482 nan 8.300 nan 0.000 0.489 130 S N 0.427 116.148 115.700 0.035 0.000 2.556 130 S HA 0.225 4.696 4.470 0.001 0.000 0.216 130 S C -0.066 174.646 174.600 0.186 0.000 0.970 130 S CA -0.321 57.947 58.200 0.112 0.000 0.912 130 S CB -0.959 62.340 63.200 0.165 0.000 0.790 130 S HN 0.477 nan 8.310 nan 0.000 0.504 131 F N 0.579 120.606 119.950 0.129 0.000 2.585 131 F HA 0.870 5.397 4.527 0.001 0.000 0.350 131 F C -3.041 172.796 175.800 0.062 0.000 1.074 131 F CA -3.063 54.977 58.000 0.068 0.000 1.032 131 F CB 0.073 39.094 39.000 0.035 0.000 1.330 131 F HN -0.270 nan 8.300 nan 0.000 0.495 132 P HA 0.289 nan 4.420 nan 0.000 0.295 132 P C -2.785 174.502 177.300 -0.022 0.000 1.354 132 P CA -1.311 61.788 63.100 -0.001 0.000 0.814 132 P CB 0.854 32.578 31.700 0.041 0.000 0.935 133 P HA 0.267 nan 4.420 nan 0.000 0.278 133 P C -0.360 176.844 177.300 -0.160 0.000 1.238 133 P CA -0.229 62.669 63.100 -0.336 0.000 0.794 133 P CB 1.296 32.593 31.700 -0.672 0.000 0.955 134 L N 1.874 123.021 121.223 -0.127 0.000 2.399 134 L HA 0.345 4.685 4.340 0.001 0.000 0.265 134 L C 0.997 177.810 176.870 -0.095 0.000 1.089 134 L CA -0.843 53.945 54.840 -0.087 0.000 0.802 134 L CB 0.639 42.660 42.059 -0.063 0.000 1.180 134 L HN 0.451 nan 8.230 nan 0.000 0.454 135 D N -1.653 118.696 120.400 -0.085 0.000 2.432 135 D HA 0.039 4.680 4.640 0.001 0.000 0.258 135 D C 0.994 177.246 176.300 -0.080 0.000 1.146 135 D CA -0.334 53.625 54.000 -0.070 0.000 1.015 135 D CB 0.347 41.091 40.800 -0.093 0.000 1.107 135 D HN 0.612 nan 8.370 nan 0.000 0.529 136 H N -0.655 118.332 119.070 -0.139 0.000 2.457 136 H HA -0.040 4.516 4.556 0.001 0.000 0.294 136 H C 1.466 176.654 175.328 -0.233 0.000 1.064 136 H CA 0.842 56.798 56.048 -0.154 0.000 1.330 136 H CB -0.633 29.032 29.762 -0.163 0.000 1.395 136 H HN 0.209 nan 8.280 nan 0.000 0.541 137 V N 1.881 121.378 119.914 -0.695 0.000 2.283 137 V HA -0.176 3.945 4.120 0.001 0.000 0.243 137 V C 3.191 179.053 176.094 -0.386 0.000 1.039 137 V CA 1.687 63.574 62.300 -0.689 0.000 1.016 137 V CB -1.095 30.388 31.823 -0.567 0.000 0.650 137 V HN 0.636 nan 8.190 nan 0.000 0.449 138 A N -0.323 122.349 122.820 -0.248 0.000 1.908 138 A HA -0.193 4.128 4.320 0.001 0.000 0.218 138 A C 2.205 179.710 177.584 -0.131 0.000 1.181 138 A CA 1.890 53.838 52.037 -0.149 0.000 0.627 138 A CB -0.596 18.337 19.000 -0.111 0.000 0.818 138 A HN 0.506 nan 8.150 nan 0.000 0.445 139 L N -1.220 119.938 121.223 -0.108 0.000 2.046 139 L HA -0.225 4.116 4.340 0.001 0.000 0.208 139 L C 2.896 179.723 176.870 -0.071 0.000 1.077 139 L CA 1.622 56.431 54.840 -0.052 0.000 0.747 139 L CB -0.438 41.658 42.059 0.062 0.000 0.896 139 L HN 0.435 nan 8.230 nan 0.000 0.432 140 M N -1.003 118.560 119.600 -0.061 0.000 2.132 140 M HA -0.187 4.294 4.480 0.001 0.000 0.263 140 M C 2.094 178.344 176.300 -0.085 0.000 1.065 140 M CA 1.565 56.866 55.300 0.002 0.000 1.122 140 M CB -0.393 32.069 32.600 -0.230 0.000 1.365 140 M HN 0.183 nan 8.290 nan 0.000 0.411 141 E N 0.687 120.820 120.200 -0.111 0.000 2.005 141 E HA -0.231 4.119 4.350 0.001 0.000 0.198 141 E C 1.969 178.502 176.600 -0.111 0.000 1.010 141 E CA 1.535 57.918 56.400 -0.028 0.000 0.825 141 E CB -0.141 29.557 29.700 -0.003 0.000 0.769 141 E HN 0.282 nan 8.360 nan 0.000 0.456 142 K N 0.462 120.775 120.400 -0.146 0.000 2.071 142 K HA -0.238 4.082 4.320 0.001 0.000 0.217 142 K C 1.422 177.846 176.600 -0.293 0.000 1.054 142 K CA 1.806 57.984 56.287 -0.181 0.000 0.937 142 K CB -0.136 32.259 32.500 -0.175 0.000 0.719 142 K HN 0.122 nan 8.250 nan 0.000 0.454 143 N N -0.475 117.920 118.700 -0.508 0.000 2.398 143 N HA -0.007 4.733 4.740 0.001 0.000 0.188 143 N C 0.550 175.580 175.510 -0.800 0.000 1.122 143 N CA 0.958 53.472 53.050 -0.894 0.000 0.866 143 N CB 0.766 38.072 38.487 -1.969 0.000 0.970 143 N HN 0.491 nan 8.380 nan 0.000 0.462 144 G N 0.536 109.111 108.800 -0.375 0.000 2.176 144 G HA2 -0.199 3.762 3.960 0.001 0.000 0.252 144 G HA3 -0.199 3.762 3.960 0.001 0.000 0.252 144 G C 0.222 175.144 174.900 0.037 0.000 1.024 144 G CA -0.132 44.887 45.100 -0.135 0.000 0.755 144 G HN 0.409 nan 8.290 nan 0.000 0.507 145 W N -0.821 120.568 121.300 0.148 0.000 3.220 145 W HA 0.492 5.152 4.660 0.001 0.000 0.328 145 W C 0.750 177.472 176.519 0.338 0.000 1.205 145 W CA -0.279 57.173 57.345 0.178 0.000 1.773 145 W CB -0.284 29.248 29.460 0.121 0.000 1.086 145 W HN 0.607 nan 8.180 nan 0.000 0.622 146 W N 0.998 122.444 121.300 0.244 0.000 3.062 146 W HA 0.520 5.181 4.660 0.001 0.000 0.336 146 W C -1.323 175.270 176.519 0.123 0.000 1.224 146 W CA -2.350 55.111 57.345 0.193 0.000 1.159 146 W CB 0.635 30.221 29.460 0.209 0.000 1.454 146 W HN -0.159 nan 8.180 nan 0.000 0.569 147 E N 4.547 124.709 120.200 -0.064 0.000 2.267 147 E HA 0.377 4.727 4.350 0.001 0.000 0.241 147 E C -1.571 174.708 176.600 -0.535 0.000 0.950 147 E CA -2.633 53.643 56.400 -0.206 0.000 0.776 147 E CB 1.096 30.756 29.700 -0.066 0.000 1.207 147 E HN 0.120 nan 8.360 nan 0.000 0.436 148 P HA -0.218 nan 4.420 nan 0.000 0.217 148 P C 0.743 177.863 177.300 -0.299 0.000 1.148 148 P CA 0.986 63.742 63.100 -0.573 0.000 0.828 148 P CB 0.274 31.817 31.700 -0.262 0.000 0.783 149 R N -1.073 119.312 120.500 -0.193 0.000 2.303 149 R HA -0.098 4.243 4.340 0.001 0.000 0.225 149 R C 2.183 178.419 176.300 -0.106 0.000 1.114 149 R CA 0.403 56.435 56.100 -0.113 0.000 1.007 149 R CB -0.884 29.371 30.300 -0.074 0.000 0.861 149 R HN 0.195 nan 8.270 nan 0.000 0.471 150 I N 0.826 121.304 120.570 -0.152 0.000 2.361 150 I HA -0.238 3.933 4.170 0.001 0.000 0.251 150 I C 1.848 177.928 176.117 -0.062 0.000 1.133 150 I CA 1.448 62.685 61.300 -0.105 0.000 1.413 150 I CB -0.136 37.783 38.000 -0.135 0.000 1.073 150 I HN 0.090 nan 8.210 nan 0.000 0.424 151 S N -0.733 114.921 115.700 -0.077 0.000 2.474 151 S HA -0.182 4.288 4.470 0.001 0.000 0.235 151 S C 1.741 176.341 174.600 0.000 0.000 0.997 151 S CA 0.821 59.010 58.200 -0.018 0.000 0.949 151 S CB -0.561 62.627 63.200 -0.019 0.000 0.766 151 S HN 0.639 nan 8.310 nan 0.000 0.517 152 Q N 0.382 120.172 119.800 -0.016 0.000 2.302 152 Q HA 0.142 4.483 4.340 0.001 0.000 0.202 152 Q C 2.080 178.080 176.000 0.001 0.000 0.936 152 Q CA 0.812 56.613 55.803 -0.004 0.000 0.886 152 Q CB -0.135 28.596 28.738 -0.011 0.000 0.986 152 Q HN 0.484 nan 8.270 nan 0.000 0.487 153 V N -0.309 119.602 119.914 -0.005 0.000 2.346 153 V HA -0.113 4.008 4.120 0.001 0.000 0.244 153 V C 1.550 177.653 176.094 0.014 0.000 1.037 153 V CA 1.740 64.040 62.300 -0.000 0.000 1.029 153 V CB 0.146 31.964 31.823 -0.008 0.000 0.663 153 V HN 0.159 nan 8.190 nan 0.000 0.454 154 S N -1.625 114.093 115.700 0.030 0.000 2.666 154 S HA 0.534 5.005 4.470 0.001 0.000 0.239 154 S C 0.634 175.296 174.600 0.104 0.000 1.031 154 S CA 0.515 58.753 58.200 0.063 0.000 1.015 154 S CB 0.969 64.215 63.200 0.075 0.000 0.981 154 S HN 0.951 nan 8.310 nan 0.000 0.547 155 G N 2.152 111.006 108.800 0.089 0.000 2.728 155 G HA2 -0.167 3.793 3.960 0.001 0.000 0.294 155 G HA3 -0.167 3.793 3.960 0.001 0.000 0.294 155 G C -0.141 174.844 174.900 0.143 0.000 1.342 155 G CA -0.524 44.648 45.100 0.119 0.000 0.866 155 G HN 0.856 nan 8.290 nan 0.000 0.534 156 S N -0.531 115.264 115.700 0.158 0.000 2.608 156 S HA 0.582 5.053 4.470 0.001 0.000 0.261 156 S C 1.029 175.721 174.600 0.153 0.000 1.314 156 S CA 0.849 59.129 58.200 0.133 0.000 0.992 156 S CB 0.803 64.070 63.200 0.110 0.000 0.935 156 S HN 1.776 nan 8.310 nan 0.000 0.564 157 R N -0.630 119.903 120.500 0.055 0.000 3.525 157 R HA -0.118 4.223 4.340 0.001 0.000 0.276 157 R C -0.664 175.698 176.300 0.104 0.000 1.116 157 R CA 0.768 56.843 56.100 -0.042 0.000 0.745 157 R CB -2.743 27.299 30.300 -0.431 0.000 1.185 157 R HN 0.616 nan 8.270 nan 0.000 0.454 158 S N -0.405 115.403 115.700 0.179 0.000 2.638 158 S HA 0.810 5.280 4.470 0.001 0.000 0.302 158 S C -0.819 173.937 174.600 0.260 0.000 1.096 158 S CA -0.792 57.542 58.200 0.223 0.000 0.953 158 S CB 1.721 65.011 63.200 0.149 0.000 1.107 158 S HN 0.355 nan 8.310 nan 0.000 0.503 159 Y N -1.378 118.971 120.300 0.083 0.000 2.571 159 Y HA 0.838 5.389 4.550 0.001 0.000 0.341 159 Y C -1.221 174.728 175.900 0.082 0.000 1.076 159 Y CA -1.485 56.669 58.100 0.089 0.000 1.029 159 Y CB 0.855 39.485 38.460 0.284 0.000 1.308 159 Y HN 0.753 nan 8.280 nan 0.000 0.461 160 A N 3.801 126.626 122.820 0.008 0.000 2.402 160 A HA 0.697 5.018 4.320 0.001 0.000 0.291 160 A C -2.154 175.549 177.584 0.198 0.000 1.051 160 A CA -0.608 51.406 52.037 -0.037 0.000 0.716 160 A CB 0.946 19.901 19.000 -0.075 0.000 1.223 160 A HN 0.591 nan 8.150 nan 0.000 0.425 161 L N 1.436 122.807 121.223 0.246 0.000 2.379 161 L HA 0.620 4.960 4.340 0.001 0.000 0.269 161 L C 0.394 177.407 176.870 0.239 0.000 1.084 161 L CA 0.029 55.071 54.840 0.335 0.000 0.802 161 L CB 1.110 43.359 42.059 0.316 0.000 1.175 161 L HN 0.756 nan 8.230 nan 0.000 0.448 162 K N 0.035 120.607 120.400 0.286 0.000 2.435 162 K HA 0.688 5.009 4.320 0.001 0.000 0.251 162 K C 0.154 176.924 176.600 0.285 0.000 0.954 162 K CA -0.240 56.197 56.287 0.249 0.000 0.820 162 K CB 1.996 34.653 32.500 0.262 0.000 1.292 162 K HN 0.734 nan 8.250 nan 0.000 0.436 163 G N 2.026 110.956 108.800 0.217 0.000 2.566 163 G HA2 -0.346 3.615 3.960 0.001 0.000 0.280 163 G HA3 -0.346 3.615 3.960 0.001 0.000 0.280 163 G C 0.372 175.359 174.900 0.145 0.000 1.225 163 G CA 0.599 45.836 45.100 0.229 0.000 0.966 163 G HN 0.721 nan 8.290 nan 0.000 0.560 164 D N -0.345 120.135 120.400 0.134 0.000 2.178 164 D HA 0.005 4.645 4.640 0.001 0.000 0.201 164 D C 2.529 178.660 176.300 -0.281 0.000 0.980 164 D CA 1.210 55.169 54.000 -0.067 0.000 0.842 164 D CB -0.157 40.620 40.800 -0.039 0.000 0.948 164 D HN 0.298 nan 8.370 nan 0.000 0.472 165 L N 0.527 121.402 121.223 -0.580 0.000 2.083 165 L HA -0.084 4.256 4.340 0.001 0.000 0.209 165 L C 2.085 178.930 176.870 -0.041 0.000 1.083 165 L CA 1.473 56.071 54.840 -0.404 0.000 0.752 165 L CB -0.735 41.058 42.059 -0.444 0.000 0.899 165 L HN -0.011 nan 8.230 nan 0.000 0.433 166 A N -1.149 121.690 122.820 0.031 0.000 1.877 166 A HA -0.164 4.157 4.320 0.001 0.000 0.216 166 A C 2.101 179.715 177.584 0.050 0.000 1.186 166 A CA 1.648 53.732 52.037 0.078 0.000 0.620 166 A CB -0.805 18.252 19.000 0.095 0.000 0.822 166 A HN 0.350 nan 8.150 nan 0.000 0.443 167 L N -1.623 119.625 121.223 0.042 0.000 2.083 167 L HA -0.149 4.192 4.340 0.001 0.000 0.209 167 L C 2.350 179.270 176.870 0.083 0.000 1.083 167 L CA 1.579 56.447 54.840 0.048 0.000 0.752 167 L CB -1.473 40.610 42.059 0.040 0.000 0.899 167 L HN 0.581 nan 8.230 nan 0.000 0.433 168 Y N 0.785 121.023 120.300 -0.104 0.000 2.181 168 Y HA -0.255 4.296 4.550 0.001 0.000 0.288 168 Y C 2.661 178.502 175.900 -0.099 0.000 1.146 168 Y CA 1.811 59.835 58.100 -0.126 0.000 1.164 168 Y CB -0.318 38.015 38.460 -0.211 0.000 0.982 168 Y HN 0.427 nan 8.280 nan 0.000 0.515 169 E N -0.223 119.943 120.200 -0.057 0.000 2.038 169 E HA -0.211 4.140 4.350 0.001 0.000 0.195 169 E C 2.158 178.682 176.600 -0.127 0.000 1.000 169 E CA 1.839 58.170 56.400 -0.114 0.000 0.803 169 E CB -0.386 29.318 29.700 0.006 0.000 0.750 169 E HN 0.527 nan 8.360 nan 0.000 0.448 170 L N 0.364 121.535 121.223 -0.087 0.000 2.141 170 L HA -0.106 4.235 4.340 0.001 0.000 0.209 170 L C 2.687 179.516 176.870 -0.068 0.000 1.094 170 L CA 0.786 55.562 54.840 -0.108 0.000 0.763 170 L CB -0.523 41.494 42.059 -0.071 0.000 0.908 170 L HN 0.237 nan 8.230 nan 0.000 0.437 171 A N 0.657 123.469 122.820 -0.014 0.000 1.883 171 A HA -0.188 4.133 4.320 0.001 0.000 0.217 171 A C 2.271 179.776 177.584 -0.132 0.000 1.186 171 A CA 1.574 53.626 52.037 0.025 0.000 0.624 171 A CB -0.768 18.314 19.000 0.138 0.000 0.822 171 A HN 0.357 nan 8.150 nan 0.000 0.444 172 L N -0.803 120.298 121.223 -0.203 0.000 2.079 172 L HA -0.202 4.139 4.340 0.001 0.000 0.210 172 L C 2.555 179.387 176.870 -0.063 0.000 1.081 172 L CA 1.129 55.847 54.840 -0.204 0.000 0.752 172 L CB -0.546 41.314 42.059 -0.331 0.000 0.896 172 L HN 0.374 nan 8.230 nan 0.000 0.433 173 L N -0.779 120.383 121.223 -0.101 0.000 2.056 173 L HA -0.162 4.179 4.340 0.001 0.000 0.207 173 L C 2.778 179.589 176.870 -0.099 0.000 1.078 173 L CA 0.776 55.562 54.840 -0.091 0.000 0.749 173 L CB -0.381 41.569 42.059 -0.181 0.000 0.901 173 L HN 0.179 nan 8.230 nan 0.000 0.433 174 R N 0.419 120.862 120.500 -0.096 0.000 2.090 174 R HA -0.188 4.152 4.340 0.001 0.000 0.228 174 R C 2.184 178.446 176.300 -0.062 0.000 1.110 174 R CA 1.363 57.442 56.100 -0.036 0.000 0.973 174 R CB -0.859 29.489 30.300 0.080 0.000 0.869 174 R HN 0.308 nan 8.270 nan 0.000 0.440 175 F N 0.547 120.192 119.950 -0.507 0.000 2.126 175 F HA -0.120 4.407 4.527 0.001 0.000 0.299 175 F C 1.833 177.521 175.800 -0.186 0.000 1.096 175 F CA 1.846 59.436 58.000 -0.683 0.000 1.255 175 F CB -0.644 37.813 39.000 -0.906 0.000 0.997 175 F HN 0.090 nan 8.300 nan 0.000 0.479 176 A N 0.841 123.482 122.820 -0.297 0.000 1.930 176 A HA -0.111 4.209 4.320 0.001 0.000 0.217 176 A C 2.229 179.731 177.584 -0.138 0.000 1.175 176 A CA 1.640 53.494 52.037 -0.305 0.000 0.627 176 A CB -0.659 18.287 19.000 -0.089 0.000 0.815 176 A HN 0.460 nan 8.150 nan 0.000 0.443 177 M N 0.101 119.658 119.600 -0.071 0.000 2.086 177 M HA -0.130 4.350 4.480 0.001 0.000 0.261 177 M C 1.485 177.781 176.300 -0.007 0.000 1.067 177 M CA 1.505 56.797 55.300 -0.012 0.000 1.116 177 M CB -1.439 31.159 32.600 -0.004 0.000 1.348 177 M HN 0.349 nan 8.290 nan 0.000 0.407 178 D N -0.030 120.368 120.400 -0.003 0.000 2.104 178 D HA -0.172 4.468 4.640 0.001 0.000 0.194 178 D C 1.794 178.066 176.300 -0.048 0.000 0.994 178 D CA 1.066 55.079 54.000 0.021 0.000 0.830 178 D CB -0.587 40.293 40.800 0.134 0.000 0.959 178 D HN 0.278 nan 8.370 nan 0.000 0.452 179 F N 1.106 120.898 119.950 -0.264 0.000 2.069 179 F HA -0.244 4.284 4.527 0.001 0.000 0.298 179 F C 2.260 177.949 175.800 -0.184 0.000 1.113 179 F CA 1.403 59.224 58.000 -0.299 0.000 1.214 179 F CB -0.119 38.549 39.000 -0.552 0.000 0.978 179 F HN -0.176 nan 8.300 nan 0.000 0.474 180 M N 0.307 119.882 119.600 -0.042 0.000 2.159 180 M HA -0.115 4.365 4.480 0.001 0.000 0.263 180 M C 2.489 178.765 176.300 -0.041 0.000 1.063 180 M CA 1.537 56.788 55.300 -0.082 0.000 1.110 180 M CB -2.018 30.563 32.600 -0.032 0.000 1.374 180 M HN 0.339 nan 8.290 nan 0.000 0.411 181 A N -0.330 122.477 122.820 -0.022 0.000 1.972 181 A HA -0.160 4.161 4.320 0.001 0.000 0.219 181 A C 2.338 179.897 177.584 -0.042 0.000 1.169 181 A CA 1.544 53.586 52.037 0.009 0.000 0.635 181 A CB -0.516 18.494 19.000 0.016 0.000 0.810 181 A HN 0.380 nan 8.150 nan 0.000 0.446 182 R N -0.665 119.752 120.500 -0.138 0.000 2.148 182 R HA 0.086 4.426 4.340 0.001 0.000 0.223 182 R C 1.710 177.904 176.300 -0.177 0.000 1.088 182 R CA 0.675 56.676 56.100 -0.166 0.000 0.985 182 R CB -0.082 30.064 30.300 -0.256 0.000 0.880 182 R HN 0.298 nan 8.270 nan 0.000 0.451 183 R N -0.056 120.311 120.500 -0.221 0.000 2.328 183 R HA 0.093 4.434 4.340 0.001 0.000 0.206 183 R C 0.451 176.812 176.300 0.101 0.000 0.990 183 R CA 0.768 56.798 56.100 -0.116 0.000 1.085 183 R CB 0.129 30.295 30.300 -0.224 0.000 0.998 183 R HN 0.420 nan 8.270 nan 0.000 0.484 184 G N 1.160 109.999 108.800 0.064 0.000 2.179 184 G HA2 -0.288 3.672 3.960 0.001 0.000 0.257 184 G HA3 -0.288 3.672 3.960 0.001 0.000 0.257 184 G C -0.213 174.739 174.900 0.086 0.000 1.010 184 G CA -0.028 45.104 45.100 0.053 0.000 0.736 184 G HN 0.225 nan 8.290 nan 0.000 0.513 185 F N -0.796 119.137 119.950 -0.029 0.000 2.421 185 F HA 0.621 5.148 4.527 0.001 0.000 0.337 185 F C 0.592 176.429 175.800 0.061 0.000 1.105 185 F CA -1.507 56.505 58.000 0.020 0.000 1.049 185 F CB 1.607 40.629 39.000 0.038 0.000 1.139 185 F HN 0.083 nan 8.300 nan 0.000 0.479 186 L N 7.238 128.598 121.223 0.229 0.000 2.369 186 L HA 0.402 4.743 4.340 0.001 0.000 0.279 186 L C -2.307 174.697 176.870 0.222 0.000 1.108 186 L CA -1.539 53.432 54.840 0.219 0.000 0.852 186 L CB 0.018 42.233 42.059 0.261 0.000 1.169 186 L HN 0.280 nan 8.230 nan 0.000 0.452 187 P HA 0.129 nan 4.420 nan 0.000 0.265 187 P C -0.972 176.371 177.300 0.072 0.000 1.193 187 P CA 0.414 63.581 63.100 0.112 0.000 0.765 187 P CB 0.550 32.297 31.700 0.077 0.000 0.823 188 M N 1.437 121.074 119.600 0.061 0.000 2.484 188 M HA 0.362 4.843 4.480 0.001 0.000 0.289 188 M C -0.388 175.948 176.300 0.061 0.000 1.206 188 M CA -0.524 54.781 55.300 0.009 0.000 0.892 188 M CB 2.924 35.466 32.600 -0.096 0.000 1.712 188 M HN 0.245 nan 8.290 nan 0.000 0.462 189 T N 1.061 115.650 114.554 0.058 0.000 2.807 189 T HA 0.860 5.211 4.350 0.001 0.000 0.279 189 T C -0.750 173.959 174.700 0.015 0.000 0.993 189 T CA -0.740 61.438 62.100 0.131 0.000 0.970 189 T CB 1.124 70.109 68.868 0.195 0.000 0.950 189 T HN 0.574 nan 8.240 nan 0.000 0.441 190 L N 2.909 124.103 121.223 -0.049 0.000 2.350 190 L HA 0.657 4.998 4.340 0.001 0.000 0.260 190 L C -2.244 174.533 176.870 -0.155 0.000 1.015 190 L CA -2.767 51.992 54.840 -0.136 0.000 0.821 190 L CB 2.240 44.184 42.059 -0.193 0.000 1.370 190 L HN 0.475 nan 8.230 nan 0.000 0.416 191 P HA 0.137 nan 4.420 nan 0.000 0.272 191 P C -0.333 176.813 177.300 -0.256 0.000 1.240 191 P CA -0.342 62.594 63.100 -0.274 0.000 0.791 191 P CB 0.681 31.981 31.700 -0.667 0.000 0.978 192 S N -0.300 115.347 115.700 -0.088 0.000 2.573 192 S HA 0.238 4.709 4.470 0.001 0.000 0.244 192 S C -0.221 174.450 174.600 0.118 0.000 0.984 192 S CA -0.291 57.934 58.200 0.042 0.000 1.001 192 S CB -1.107 62.265 63.200 0.287 0.000 0.788 192 S HN 0.548 nan 8.310 nan 0.000 0.456 193 Y N -1.814 118.495 120.300 0.015 0.000 2.597 193 Y HA 0.901 5.451 4.550 0.001 0.000 0.340 193 Y C -0.694 175.244 175.900 0.063 0.000 1.097 193 Y CA -1.744 56.397 58.100 0.068 0.000 1.037 193 Y CB 0.693 39.163 38.460 0.016 0.000 1.305 193 Y HN -0.013 nan 8.280 nan 0.000 0.463 194 A N 1.735 124.752 122.820 0.329 0.000 2.601 194 A HA 0.763 5.084 4.320 0.001 0.000 0.291 194 A C -1.372 176.471 177.584 0.431 0.000 1.075 194 A CA -1.410 50.742 52.037 0.193 0.000 0.671 194 A CB 1.527 20.464 19.000 -0.105 0.000 1.277 194 A HN 0.827 nan 8.150 nan 0.000 0.417 195 R N 0.029 120.712 120.500 0.305 0.000 2.546 195 R HA 0.322 4.662 4.340 0.001 0.000 0.266 195 R C 1.012 177.581 176.300 0.450 0.000 1.086 195 R CA -0.182 56.148 56.100 0.383 0.000 1.160 195 R CB 0.604 31.042 30.300 0.230 0.000 1.138 195 R HN 0.967 nan 8.270 nan 0.000 0.567 196 E N 1.534 122.021 120.200 0.478 0.000 2.114 196 E HA -0.318 4.032 4.350 0.001 0.000 0.199 196 E C 1.602 178.339 176.600 0.228 0.000 1.008 196 E CA 1.780 58.381 56.400 0.336 0.000 0.810 196 E CB 0.117 30.026 29.700 0.349 0.000 0.739 196 E HN 0.400 nan 8.360 nan 0.000 0.456 197 K N -0.323 120.181 120.400 0.173 0.000 2.152 197 K HA -0.178 4.143 4.320 0.001 0.000 0.206 197 K C 1.817 178.437 176.600 0.034 0.000 1.048 197 K CA 1.287 57.632 56.287 0.097 0.000 0.933 197 K CB -0.123 32.422 32.500 0.074 0.000 0.721 197 K HN 0.186 nan 8.250 nan 0.000 0.447 198 A N -0.194 122.615 122.820 -0.018 0.000 2.021 198 A HA 0.052 4.372 4.320 0.001 0.000 0.216 198 A C 1.679 179.092 177.584 -0.286 0.000 1.163 198 A CA 0.446 52.384 52.037 -0.165 0.000 0.676 198 A CB -0.405 18.439 19.000 -0.260 0.000 0.818 198 A HN 0.302 nan 8.150 nan 0.000 0.453 199 F N 0.176 119.943 119.950 -0.305 0.000 2.206 199 F HA -0.035 4.493 4.527 0.001 0.000 0.298 199 F C 2.004 177.691 175.800 -0.188 0.000 1.090 199 F CA 0.977 58.679 58.000 -0.496 0.000 1.323 199 F CB -0.401 37.640 39.000 -1.598 0.000 1.028 199 F HN 0.089 nan 8.300 nan 0.000 0.492 200 L N -0.421 120.861 121.223 0.098 0.000 2.079 200 L HA -0.175 4.165 4.340 0.001 0.000 0.210 200 L C 2.665 179.571 176.870 0.060 0.000 1.081 200 L CA 1.461 56.384 54.840 0.137 0.000 0.752 200 L CB -1.188 40.948 42.059 0.128 0.000 0.896 200 L HN 0.273 nan 8.230 nan 0.000 0.433 201 G N -1.002 107.811 108.800 0.022 0.000 2.430 201 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 201 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 201 G C 1.651 176.574 174.900 0.040 0.000 1.146 201 G CA 0.972 46.070 45.100 -0.003 0.000 0.793 201 G HN 0.438 nan 8.290 nan 0.000 0.537 202 T N -2.846 111.768 114.554 0.099 0.000 3.067 202 T HA 0.348 4.698 4.350 0.001 0.000 0.261 202 T C 1.938 176.809 174.700 0.285 0.000 1.110 202 T CA 1.139 63.364 62.100 0.209 0.000 1.113 202 T CB 0.074 69.119 68.868 0.295 0.000 0.917 202 T HN 1.294 nan 8.240 nan 0.000 0.499 203 G N 0.513 109.477 108.800 0.274 0.000 2.176 203 G HA2 -0.266 3.695 3.960 0.001 0.000 0.232 203 G HA3 -0.266 3.695 3.960 0.001 0.000 0.232 203 G C 0.491 175.610 174.900 0.366 0.000 0.986 203 G CA 0.428 45.772 45.100 0.406 0.000 0.643 203 G HN 0.620 nan 8.290 nan 0.000 0.522 204 H N -0.825 118.431 119.070 0.310 0.000 2.389 204 H HA 0.269 4.825 4.556 0.001 0.000 0.299 204 H C 0.874 176.608 175.328 0.676 0.000 1.081 204 H CA 1.705 57.991 56.048 0.397 0.000 1.345 204 H CB 0.032 29.968 29.762 0.290 0.000 1.393 204 H HN 0.360 nan 8.280 nan 0.000 0.520 205 F N 0.210 120.389 119.950 0.381 0.000 2.458 205 F HA 0.260 4.787 4.527 0.001 0.000 0.330 205 F C -1.460 174.448 175.800 0.180 0.000 1.082 205 F CA -3.668 54.457 58.000 0.208 0.000 0.995 205 F CB 1.380 40.437 39.000 0.094 0.000 1.170 205 F HN -0.053 nan 8.300 nan 0.000 0.478 206 P HA 0.100 nan 4.420 nan 0.000 0.251 206 P C 1.001 178.373 177.300 0.120 0.000 1.223 206 P CA 0.643 63.832 63.100 0.149 0.000 0.796 206 P CB 0.242 31.978 31.700 0.060 0.000 1.068 207 A N -0.157 122.777 122.820 0.189 0.000 1.908 207 A HA -0.171 4.149 4.320 0.001 0.000 0.218 207 A C 1.167 178.632 177.584 -0.197 0.000 1.181 207 A CA 1.437 53.459 52.037 -0.025 0.000 0.627 207 A CB -1.529 17.445 19.000 -0.042 0.000 0.818 207 A HN 0.242 nan 8.150 nan 0.000 0.445 208 Y N -2.155 118.262 120.300 0.194 0.000 2.716 208 Y HA 0.298 4.848 4.550 0.001 0.000 0.260 208 Y C 1.541 177.579 175.900 0.229 0.000 1.141 208 Y CA -0.337 57.883 58.100 0.200 0.000 1.168 208 Y CB 0.320 38.923 38.460 0.239 0.000 1.189 208 Y HN 0.268 nan 8.280 nan 0.000 0.549 209 R N 1.755 122.378 120.500 0.205 0.000 2.170 209 R HA -0.186 4.154 4.340 0.001 0.000 0.242 209 R C 1.136 177.443 176.300 0.012 0.000 1.145 209 R CA 2.373 58.426 56.100 -0.079 0.000 0.984 209 R CB -0.379 29.683 30.300 -0.396 0.000 0.869 209 R HN 0.471 nan 8.270 nan 0.000 0.455 210 D N -1.094 119.352 120.400 0.077 0.000 2.348 210 D HA -0.090 4.551 4.640 0.001 0.000 0.211 210 D C 0.975 177.358 176.300 0.139 0.000 0.998 210 D CA 0.452 54.501 54.000 0.083 0.000 0.873 210 D CB -0.328 40.507 40.800 0.058 0.000 0.925 210 D HN 0.385 nan 8.370 nan 0.000 0.524 211 Q N 0.021 119.936 119.800 0.191 0.000 2.482 211 Q HA 0.163 4.503 4.340 0.001 0.000 0.209 211 Q C -0.290 175.809 176.000 0.165 0.000 0.961 211 Q CA 0.180 56.095 55.803 0.186 0.000 0.945 211 Q CB 0.844 29.732 28.738 0.250 0.000 1.012 211 Q HN 0.145 nan 8.270 nan 0.000 0.515 212 V N 0.603 120.641 119.914 0.207 0.000 2.495 212 V HA 0.219 4.339 4.120 0.001 0.000 0.298 212 V C -0.751 175.538 176.094 0.325 0.000 1.031 212 V CA -0.889 61.556 62.300 0.243 0.000 0.871 212 V CB 1.379 33.370 31.823 0.280 0.000 0.988 212 V HN 0.237 nan 8.190 nan 0.000 0.432 213 W N 3.304 124.697 121.300 0.155 0.000 2.311 213 W HA 0.656 5.317 4.660 0.001 0.000 0.310 213 W C 0.455 177.028 176.519 0.090 0.000 1.274 213 W CA -0.960 56.438 57.345 0.088 0.000 1.215 213 W CB 1.037 30.524 29.460 0.045 0.000 1.227 213 W HN 0.666 nan 8.180 nan 0.000 0.523 214 A N 5.011 127.975 122.820 0.240 0.000 2.302 214 A HA 0.676 4.997 4.320 0.001 0.000 0.285 214 A C -0.409 177.097 177.584 -0.130 0.000 1.105 214 A CA -0.570 51.482 52.037 0.025 0.000 0.816 214 A CB 0.432 19.414 19.000 -0.030 0.000 1.067 214 A HN 0.524 nan 8.150 nan 0.000 0.489 215 I N 1.962 122.390 120.570 -0.237 0.000 2.307 215 I HA 0.367 4.537 4.170 0.001 0.000 0.289 215 I C 0.877 176.854 176.117 -0.233 0.000 1.021 215 I CA -0.214 60.945 61.300 -0.234 0.000 1.224 215 I CB 1.154 39.010 38.000 -0.240 0.000 1.376 215 I HN 0.714 nan 8.210 nan 0.000 0.470 216 A N 5.306 128.009 122.820 -0.195 0.000 2.531 216 A HA 0.102 4.423 4.320 0.001 0.000 0.236 216 A C 0.964 178.461 177.584 -0.145 0.000 1.062 216 A CA 0.260 52.202 52.037 -0.159 0.000 0.760 216 A CB -0.083 18.833 19.000 -0.139 0.000 0.995 216 A HN 0.912 nan 8.150 nan 0.000 0.501 217 E N -0.738 119.388 120.200 -0.122 0.000 2.791 217 E HA -0.171 4.179 4.350 0.001 0.000 0.271 217 E C -0.092 176.441 176.600 -0.112 0.000 1.044 217 E CA 1.290 57.629 56.400 -0.101 0.000 0.814 217 E CB -1.754 27.890 29.700 -0.093 0.000 1.400 217 E HN 0.719 nan 8.360 nan 0.000 0.423 218 T N -0.126 114.343 114.554 -0.142 0.000 2.883 218 T HA 0.209 4.559 4.350 0.001 0.000 0.301 218 T C -0.501 174.091 174.700 -0.180 0.000 1.158 218 T CA -0.483 61.524 62.100 -0.155 0.000 1.007 218 T CB 1.289 70.040 68.868 -0.194 0.000 1.186 218 T HN 0.153 nan 8.240 nan 0.000 0.499 219 D N 2.076 122.398 120.400 -0.131 0.000 2.434 219 D HA 0.200 4.841 4.640 0.001 0.000 0.232 219 D C 0.182 176.379 176.300 -0.172 0.000 1.166 219 D CA -0.018 53.908 54.000 -0.122 0.000 0.830 219 D CB -0.284 40.526 40.800 0.015 0.000 0.960 219 D HN 0.251 nan 8.370 nan 0.000 0.497 220 L N -0.132 120.905 121.223 -0.310 0.000 2.333 220 L HA 0.543 4.883 4.340 0.001 0.000 0.269 220 L C -1.021 175.617 176.870 -0.387 0.000 1.010 220 L CA -1.263 53.488 54.840 -0.148 0.000 0.818 220 L CB 1.524 43.552 42.059 -0.051 0.000 1.306 220 L HN -0.125 nan 8.230 nan 0.000 0.430 221 Y N 0.759 121.154 120.300 0.159 0.000 2.492 221 Y HA 0.505 5.055 4.550 0.001 0.000 0.346 221 Y C -0.383 175.651 175.900 0.224 0.000 0.997 221 Y CA -0.783 57.368 58.100 0.085 0.000 1.025 221 Y CB 1.660 39.993 38.460 -0.212 0.000 1.263 221 Y HN 0.267 nan 8.280 nan 0.000 0.454 222 L N 2.785 124.190 121.223 0.304 0.000 2.349 222 L HA 0.407 4.747 4.340 0.001 0.000 0.275 222 L C 0.419 177.546 176.870 0.428 0.000 1.115 222 L CA -0.559 54.430 54.840 0.248 0.000 0.820 222 L CB 0.874 42.938 42.059 0.009 0.000 1.135 222 L HN 0.749 nan 8.230 nan 0.000 0.445 223 T N -1.059 113.724 114.554 0.381 0.000 2.889 223 T HA 0.281 4.631 4.350 0.001 0.000 0.291 223 T C 1.102 175.899 174.700 0.162 0.000 0.995 223 T CA -0.333 61.928 62.100 0.267 0.000 1.092 223 T CB 1.685 70.525 68.868 -0.048 0.000 0.954 223 T HN 0.713 nan 8.240 nan 0.000 0.506 224 G N 0.586 109.440 108.800 0.090 0.000 2.623 224 G HA2 0.330 4.290 3.960 0.001 0.000 0.214 224 G HA3 0.330 4.290 3.960 0.001 0.000 0.214 224 G C 0.491 175.348 174.900 -0.072 0.000 1.138 224 G CA 0.583 45.705 45.100 0.037 0.000 0.794 224 G HN 1.060 nan 8.290 nan 0.000 0.535 225 T N -2.876 111.599 114.554 -0.133 0.000 2.886 225 T HA 0.495 4.846 4.350 0.001 0.000 0.330 225 T C 0.782 175.372 174.700 -0.183 0.000 1.488 225 T CA 0.467 62.488 62.100 -0.131 0.000 1.054 225 T CB 1.177 70.026 68.868 -0.032 0.000 1.348 225 T HN 0.249 nan 8.240 nan 0.000 0.489 226 A N 1.581 124.304 122.820 -0.163 0.000 2.119 226 A HA 0.099 4.419 4.320 0.001 0.000 0.217 226 A C 1.875 179.350 177.584 -0.182 0.000 1.153 226 A CA 1.672 53.596 52.037 -0.188 0.000 0.692 226 A CB -0.759 18.145 19.000 -0.161 0.000 0.799 226 A HN 0.938 nan 8.150 nan 0.000 0.458 227 E N 0.349 120.486 120.200 -0.106 0.000 2.219 227 E HA -0.175 4.176 4.350 0.001 0.000 0.198 227 E C 1.528 178.017 176.600 -0.185 0.000 0.998 227 E CA 1.645 58.006 56.400 -0.065 0.000 0.818 227 E CB -0.156 29.618 29.700 0.123 0.000 0.741 227 E HN 0.372 nan 8.360 nan 0.000 0.477 228 V N 0.431 120.166 119.914 -0.298 0.000 2.427 228 V HA -0.198 3.922 4.120 0.001 0.000 0.248 228 V C 2.376 178.220 176.094 -0.416 0.000 1.051 228 V CA 1.267 63.298 62.300 -0.448 0.000 1.048 228 V CB 0.035 31.363 31.823 -0.824 0.000 0.666 228 V HN 0.195 nan 8.190 nan 0.000 0.456 229 V N -0.743 118.944 119.914 -0.379 0.000 2.302 229 V HA -0.152 3.969 4.120 0.001 0.000 0.243 229 V C 2.360 178.252 176.094 -0.338 0.000 1.036 229 V CA 1.239 63.335 62.300 -0.340 0.000 1.020 229 V CB -0.525 31.107 31.823 -0.318 0.000 0.657 229 V HN 0.338 nan 8.190 nan 0.000 0.453 230 L N 0.812 121.806 121.223 -0.381 0.000 1.997 230 L HA -0.256 4.085 4.340 0.001 0.000 0.216 230 L C 2.340 178.863 176.870 -0.577 0.000 1.074 230 L CA 2.081 56.616 54.840 -0.508 0.000 0.763 230 L CB -1.706 39.987 42.059 -0.611 0.000 0.890 230 L HN 0.464 nan 8.230 nan 0.000 0.434 231 N N -0.723 117.640 118.700 -0.562 0.000 2.149 231 N HA -0.194 4.547 4.740 0.001 0.000 0.188 231 N C 1.534 176.994 175.510 -0.084 0.000 1.019 231 N CA 1.372 54.288 53.050 -0.223 0.000 0.857 231 N CB 0.225 38.714 38.487 0.003 0.000 0.997 231 N HN 0.391 nan 8.380 nan 0.000 0.426 232 A N 0.723 123.447 122.820 -0.160 0.000 2.123 232 A HA 0.105 4.425 4.320 0.001 0.000 0.214 232 A C 2.213 179.720 177.584 -0.128 0.000 1.152 232 A CA 0.001 51.969 52.037 -0.115 0.000 0.728 232 A CB -0.231 18.678 19.000 -0.151 0.000 0.814 232 A HN 0.256 nan 8.150 nan 0.000 0.464 233 L N -0.810 120.283 121.223 -0.218 0.000 2.043 233 L HA -0.209 4.132 4.340 0.001 0.000 0.212 233 L C 1.819 178.471 176.870 -0.364 0.000 1.075 233 L CA 1.185 55.816 54.840 -0.348 0.000 0.752 233 L CB -0.536 41.205 42.059 -0.530 0.000 0.891 233 L HN 0.500 nan 8.230 nan 0.000 0.432 234 H N -1.239 117.853 119.070 0.036 0.000 2.517 234 H HA 0.229 4.786 4.556 0.001 0.000 0.282 234 H C 0.709 176.077 175.328 0.068 0.000 1.023 234 H CA -0.213 55.875 56.048 0.067 0.000 1.169 234 H CB 0.138 29.968 29.762 0.113 0.000 1.454 234 H HN 0.178 nan 8.280 nan 0.000 0.556 235 S N 0.114 115.885 115.700 0.118 0.000 2.563 235 S HA 0.196 4.666 4.470 0.001 0.000 0.294 235 S C 1.506 176.162 174.600 0.095 0.000 1.279 235 S CA 0.892 59.153 58.200 0.101 0.000 1.069 235 S CB 0.578 63.810 63.200 0.053 0.000 0.828 235 S HN 0.782 nan 8.310 nan 0.000 0.497 236 G N 2.370 111.230 108.800 0.100 0.000 2.195 236 G HA2 -0.216 3.744 3.960 0.001 0.000 0.246 236 G HA3 -0.216 3.744 3.960 0.001 0.000 0.246 236 G C -0.225 174.720 174.900 0.076 0.000 0.984 236 G CA 0.015 45.161 45.100 0.078 0.000 0.633 236 G HN 0.657 nan 8.290 nan 0.000 0.525 237 E N 0.406 120.667 120.200 0.102 0.000 2.277 237 E HA 0.524 4.875 4.350 0.001 0.000 0.274 237 E C 0.113 176.758 176.600 0.076 0.000 1.022 237 E CA -0.870 55.587 56.400 0.096 0.000 0.853 237 E CB 1.102 30.888 29.700 0.142 0.000 1.086 237 E HN 0.174 nan 8.360 nan 0.000 0.397 238 I N 3.524 124.124 120.570 0.050 0.000 2.307 238 I HA 0.181 4.352 4.170 0.001 0.000 0.287 238 I C 0.063 176.210 176.117 0.050 0.000 1.054 238 I CA -0.364 60.957 61.300 0.035 0.000 1.218 238 I CB -0.496 37.504 38.000 0.001 0.000 1.398 238 I HN 0.392 nan 8.210 nan 0.000 0.475 239 L N 8.204 129.466 121.223 0.066 0.000 2.453 239 L HA 0.189 4.529 4.340 0.001 0.000 0.272 239 L C -1.735 175.188 176.870 0.089 0.000 1.182 239 L CA -1.392 53.474 54.840 0.043 0.000 0.858 239 L CB 0.162 42.215 42.059 -0.010 0.000 1.120 239 L HN 0.336 nan 8.230 nan 0.000 0.474 240 P HA -0.088 nan 4.420 nan 0.000 0.271 240 P C 0.170 177.539 177.300 0.115 0.000 1.220 240 P CA -0.106 63.049 63.100 0.091 0.000 0.768 240 P CB 0.519 32.249 31.700 0.050 0.000 0.848 241 Y N 4.751 125.084 120.300 0.055 0.000 2.181 241 Y HA -0.297 4.253 4.550 0.001 0.000 0.284 241 Y C 2.104 177.963 175.900 -0.068 0.000 1.179 241 Y CA 2.244 60.351 58.100 0.013 0.000 1.179 241 Y CB -0.259 38.242 38.460 0.069 0.000 0.973 241 Y HN 0.436 nan 8.280 nan 0.000 0.519 242 E N 0.291 120.516 120.200 0.041 0.000 2.265 242 E HA -0.192 4.158 4.350 0.001 0.000 0.196 242 E C 2.045 178.544 176.600 -0.169 0.000 0.996 242 E CA 1.111 57.464 56.400 -0.078 0.000 0.832 242 E CB -0.600 29.115 29.700 0.026 0.000 0.756 242 E HN 0.586 nan 8.360 nan 0.000 0.491 243 A N 0.995 123.724 122.820 -0.152 0.000 2.119 243 A HA 0.054 4.375 4.320 0.001 0.000 0.217 243 A C 1.079 178.507 177.584 -0.260 0.000 1.153 243 A CA 0.192 52.129 52.037 -0.168 0.000 0.692 243 A CB -0.147 18.774 19.000 -0.132 0.000 0.799 243 A HN 0.121 nan 8.150 nan 0.000 0.458 244 L N 1.166 122.167 121.223 -0.371 0.000 2.380 244 L HA 0.349 4.690 4.340 0.001 0.000 0.273 244 L C -1.843 174.783 176.870 -0.406 0.000 1.138 244 L CA -2.010 52.565 54.840 -0.443 0.000 0.832 244 L CB 0.187 41.882 42.059 -0.607 0.000 1.124 244 L HN 0.178 nan 8.230 nan 0.000 0.454 245 P HA 0.371 nan 4.420 nan 0.000 0.283 245 P C -1.026 176.047 177.300 -0.378 0.000 1.271 245 P CA -0.773 62.113 63.100 -0.357 0.000 0.841 245 P CB 1.175 32.682 31.700 -0.321 0.000 1.122 246 L N 2.137 123.112 121.223 -0.413 0.000 2.290 246 L HA 0.385 4.725 4.340 0.001 0.000 0.284 246 L C 0.857 177.324 176.870 -0.671 0.000 1.078 246 L CA -0.206 54.292 54.840 -0.569 0.000 0.815 246 L CB 0.279 41.985 42.059 -0.589 0.000 1.162 246 L HN 0.283 nan 8.230 nan 0.000 0.435 247 R N 3.666 123.723 120.500 -0.738 0.000 2.422 247 R HA 0.472 4.813 4.340 0.001 0.000 0.307 247 R C -1.613 174.465 176.300 -0.369 0.000 1.004 247 R CA -0.713 54.899 56.100 -0.815 0.000 0.882 247 R CB 1.504 30.943 30.300 -1.434 0.000 1.164 247 R HN 0.307 nan 8.270 nan 0.000 0.489 248 Y N 0.653 121.026 120.300 0.123 0.000 2.393 248 Y HA 0.578 5.129 4.550 0.001 0.000 0.341 248 Y C 0.065 176.219 175.900 0.423 0.000 0.988 248 Y CA -1.674 56.581 58.100 0.258 0.000 1.078 248 Y CB 2.324 40.924 38.460 0.234 0.000 1.203 248 Y HN 0.607 nan 8.280 nan 0.000 0.453 249 A N 2.086 125.186 122.820 0.467 0.000 2.328 249 A HA 0.691 5.012 4.320 0.001 0.000 0.318 249 A C 0.116 177.815 177.584 0.193 0.000 1.347 249 A CA -0.392 51.823 52.037 0.296 0.000 0.842 249 A CB -0.171 18.960 19.000 0.218 0.000 1.148 249 A HN 0.863 nan 8.150 nan 0.000 0.499 250 G N 1.154 110.046 108.800 0.153 0.000 2.335 250 G HA2 0.478 4.438 3.960 0.001 0.000 0.314 250 G HA3 0.478 4.438 3.960 0.001 0.000 0.314 250 G C -0.778 174.167 174.900 0.075 0.000 1.129 250 G CA -0.319 44.822 45.100 0.068 0.000 0.912 250 G HN 0.692 nan 8.290 nan 0.000 0.443 251 Y N 2.721 123.018 120.300 -0.004 0.000 2.320 251 Y HA 0.655 5.205 4.550 0.001 0.000 0.334 251 Y C -0.095 175.797 175.900 -0.013 0.000 1.055 251 Y CA -0.925 57.176 58.100 0.002 0.000 1.143 251 Y CB 1.463 39.933 38.460 0.017 0.000 1.193 251 Y HN 0.764 nan 8.280 nan 0.000 0.477 252 A N 7.064 129.210 122.820 -1.123 0.000 2.566 252 A HA 0.629 4.950 4.320 0.001 0.000 0.297 252 A C -3.095 173.979 177.584 -0.850 0.000 1.059 252 A CA -1.901 49.590 52.037 -0.910 0.000 0.691 252 A CB 1.109 19.858 19.000 -0.417 0.000 1.282 252 A HN 0.566 nan 8.150 nan 0.000 0.401 253 P HA 0.328 nan 4.420 nan 0.000 0.267 253 P C -0.322 176.672 177.300 -0.510 0.000 1.201 253 P CA 0.472 63.282 63.100 -0.484 0.000 0.775 253 P CB 0.663 32.218 31.700 -0.242 0.000 0.854 254 A N 2.166 124.475 122.820 -0.852 0.000 2.386 254 A HA 0.778 5.099 4.320 0.001 0.000 0.311 254 A C -1.424 175.619 177.584 -0.902 0.000 1.068 254 A CA -0.382 51.151 52.037 -0.841 0.000 0.743 254 A CB 0.761 19.012 19.000 -1.248 0.000 1.258 254 A HN 0.338 nan 8.150 nan 0.000 0.429 255 F N 0.927 120.733 119.950 -0.240 0.000 2.540 255 F HA 0.662 5.190 4.527 0.001 0.000 0.317 255 F C 0.540 176.280 175.800 -0.100 0.000 1.104 255 F CA -0.285 57.660 58.000 -0.093 0.000 0.913 255 F CB 2.415 41.464 39.000 0.082 0.000 1.170 255 F HN 0.519 nan 8.300 nan 0.000 0.450 256 R N 0.717 121.181 120.500 -0.060 0.000 2.574 256 R HA 0.294 4.635 4.340 0.001 0.000 0.288 256 R C 0.618 176.640 176.300 -0.463 0.000 1.004 256 R CA -0.328 55.708 56.100 -0.106 0.000 0.895 256 R CB 2.150 32.509 30.300 0.098 0.000 1.191 256 R HN 0.813 nan 8.270 nan 0.000 0.444 257 S N 1.686 117.084 115.700 -0.504 0.000 2.399 257 S HA -0.147 4.323 4.470 0.001 0.000 0.231 257 S C 0.495 175.124 174.600 0.047 0.000 1.022 257 S CA 0.845 58.741 58.200 -0.507 0.000 0.983 257 S CB -0.034 63.115 63.200 -0.085 0.000 0.803 257 S HN 0.710 nan 8.310 nan 0.000 0.480 258 E N 0.391 120.626 120.200 0.058 0.000 2.722 258 E HA -0.188 4.162 4.350 0.001 0.000 0.265 258 E C 0.282 176.968 176.600 0.142 0.000 1.081 258 E CA 0.856 57.308 56.400 0.087 0.000 0.781 258 E CB -2.469 27.231 29.700 -0.000 0.000 1.372 258 E HN 0.858 nan 8.360 nan 0.000 0.423 259 A N -0.300 122.613 122.820 0.154 0.000 2.498 259 A HA 0.450 4.771 4.320 0.001 0.000 0.239 259 A C 1.715 179.379 177.584 0.134 0.000 1.068 259 A CA 1.105 53.239 52.037 0.161 0.000 0.766 259 A CB 0.254 19.345 19.000 0.151 0.000 1.003 259 A HN 1.015 nan 8.150 nan 0.000 0.497 260 G N 1.200 110.083 108.800 0.138 0.000 2.184 260 G HA2 -0.263 3.697 3.960 0.001 0.000 0.264 260 G HA3 -0.263 3.697 3.960 0.001 0.000 0.264 260 G C 0.913 175.889 174.900 0.126 0.000 0.975 260 G CA 0.789 45.963 45.100 0.123 0.000 0.642 260 G HN 1.149 nan 8.290 nan 0.000 0.536 261 S N -0.156 115.619 115.700 0.126 0.000 2.634 261 S HA 0.374 4.844 4.470 0.001 0.000 0.221 261 S C 0.612 175.270 174.600 0.097 0.000 0.952 261 S CA -0.534 57.719 58.200 0.089 0.000 0.930 261 S CB -0.083 63.141 63.200 0.040 0.000 0.780 261 S HN 0.574 nan 8.310 nan 0.000 0.498 262 F N 2.535 122.506 119.950 0.036 0.000 2.623 262 F HA 0.270 4.798 4.527 0.000 0.000 0.386 262 F C 1.443 177.257 175.800 0.024 0.000 1.068 262 F CA 1.245 59.265 58.000 0.033 0.000 1.265 262 F CB 0.009 39.031 39.000 0.036 0.000 1.026 262 F HN 0.313 nan 8.300 nan 0.000 0.568 263 G N 3.898 112.164 108.800 -0.891 0.000 2.184 263 G HA2 -0.302 3.659 3.960 0.001 0.000 0.264 263 G HA3 -0.302 3.659 3.960 0.001 0.000 0.264 263 G C 0.236 174.998 174.900 -0.231 0.000 0.975 263 G CA 0.214 44.973 45.100 -0.568 0.000 0.642 263 G HN 0.642 nan 8.290 nan 0.000 0.536 264 K N 1.145 121.445 120.400 -0.166 0.000 2.211 264 K HA 0.387 4.707 4.320 0.001 0.000 0.275 264 K C -0.155 176.383 176.600 -0.103 0.000 1.024 264 K CA -0.529 55.701 56.287 -0.094 0.000 0.887 264 K CB 0.868 33.338 32.500 -0.049 0.000 1.084 264 K HN 0.161 nan 8.250 nan 0.000 0.463 265 D N 1.860 122.209 120.400 -0.085 0.000 2.803 265 D HA -0.124 4.516 4.640 0.001 0.000 0.233 265 D C 0.973 177.230 176.300 -0.072 0.000 1.182 265 D CA 0.775 54.732 54.000 -0.071 0.000 0.726 265 D CB -0.920 39.834 40.800 -0.076 0.000 0.987 265 D HN 0.488 nan 8.370 nan 0.000 0.412 266 V N -1.538 118.326 119.914 -0.083 0.000 3.041 266 V HA -0.055 4.065 4.120 0.001 0.000 0.260 266 V C 0.853 176.936 176.094 -0.019 0.000 1.105 266 V CA 0.962 63.213 62.300 -0.082 0.000 1.125 266 V CB -0.030 31.712 31.823 -0.135 0.000 0.730 266 V HN 0.304 nan 8.190 nan 0.000 0.479 267 R N 0.275 120.774 120.500 -0.001 0.000 2.621 267 R HA 0.829 5.169 4.340 0.001 0.000 0.292 267 R C 0.254 176.587 176.300 0.055 0.000 0.969 267 R CA -0.785 55.341 56.100 0.042 0.000 0.887 267 R CB 0.308 30.611 30.300 0.004 0.000 1.180 267 R HN 0.981 nan 8.270 nan 0.000 0.450 268 G N 1.425 110.321 108.800 0.161 0.000 2.520 268 G HA2 -0.276 3.685 3.960 0.001 0.000 0.248 268 G HA3 -0.276 3.685 3.960 0.001 0.000 0.248 268 G C -0.094 174.944 174.900 0.230 0.000 1.161 268 G CA -0.059 45.117 45.100 0.127 0.000 0.946 268 G HN 0.502 nan 8.290 nan 0.000 0.565 269 L N 0.804 122.176 121.223 0.248 0.000 2.906 269 L HA 0.317 4.658 4.340 0.001 0.000 0.255 269 L C 2.537 179.285 176.870 -0.204 0.000 1.166 269 L CA -0.243 54.556 54.840 -0.069 0.000 0.977 269 L CB 0.170 42.119 42.059 -0.183 0.000 1.313 269 L HN 0.417 nan 8.230 nan 0.000 0.549 270 M N -0.237 119.283 119.600 -0.134 0.000 2.200 270 M HA 0.011 4.492 4.480 0.001 0.000 0.265 270 M C 1.014 177.179 176.300 -0.225 0.000 1.066 270 M CA 1.291 56.474 55.300 -0.194 0.000 1.127 270 M CB -0.473 32.048 32.600 -0.132 0.000 1.379 270 M HN 0.090 nan 8.290 nan 0.000 0.420 271 R N 0.979 121.373 120.500 -0.177 0.000 2.575 271 R HA 0.488 4.829 4.340 0.001 0.000 0.292 271 R C -1.521 174.679 176.300 -0.166 0.000 1.246 271 R CA -0.186 55.797 56.100 -0.195 0.000 0.973 271 R CB 1.334 31.547 30.300 -0.146 0.000 1.187 271 R HN 0.061 nan 8.270 nan 0.000 0.478 272 V N -0.471 119.338 119.914 -0.175 0.000 3.126 272 V HA 0.466 4.587 4.120 0.001 0.000 0.314 272 V C 0.734 176.815 176.094 -0.021 0.000 1.138 272 V CA -0.830 61.430 62.300 -0.067 0.000 1.034 272 V CB 1.971 33.866 31.823 0.121 0.000 1.075 272 V HN 0.663 nan 8.190 nan 0.000 0.442 273 H N 0.046 119.181 119.070 0.107 0.000 2.428 273 H HA 0.177 4.733 4.556 0.001 0.000 0.296 273 H C 0.734 176.068 175.328 0.010 0.000 1.062 273 H CA 1.767 57.807 56.048 -0.014 0.000 1.350 273 H CB 0.561 30.349 29.762 0.043 0.000 1.403 273 H HN 0.763 nan 8.280 nan 0.000 0.533 274 Q N -0.111 119.820 119.800 0.220 0.000 2.305 274 Q HA 0.430 4.770 4.340 0.001 0.000 0.271 274 Q C -1.595 174.480 176.000 0.124 0.000 1.046 274 Q CA -0.716 54.997 55.803 -0.149 0.000 0.798 274 Q CB 1.816 30.359 28.738 -0.325 0.000 1.286 274 Q HN 0.083 nan 8.270 nan 0.000 0.435 275 F N -1.048 118.731 119.950 -0.285 0.000 2.985 275 F HA 0.574 5.101 4.527 0.001 0.000 0.322 275 F C -1.636 173.993 175.800 -0.285 0.000 1.187 275 F CA -1.090 56.838 58.000 -0.120 0.000 0.910 275 F CB 1.203 40.175 39.000 -0.047 0.000 1.411 275 F HN 0.431 nan 8.300 nan 0.000 0.492 276 H N 1.043 120.195 119.070 0.137 0.000 2.529 276 H HA 0.537 5.094 4.556 0.001 0.000 0.348 276 H C -1.359 174.031 175.328 0.103 0.000 1.079 276 H CA -0.851 55.225 56.048 0.047 0.000 1.198 276 H CB 2.441 32.349 29.762 0.243 0.000 1.521 276 H HN 0.689 nan 8.280 nan 0.000 0.514 277 K N 2.401 122.852 120.400 0.085 0.000 2.464 277 K HA 0.417 4.737 4.320 0.001 0.000 0.253 277 K C -1.487 175.187 176.600 0.124 0.000 0.933 277 K CA -0.705 55.644 56.287 0.104 0.000 0.801 277 K CB 2.226 34.737 32.500 0.019 0.000 1.271 277 K HN 0.262 nan 8.250 nan 0.000 0.430 278 V N 3.097 123.097 119.914 0.144 0.000 2.370 278 V HA 0.335 4.456 4.120 0.001 0.000 0.279 278 V C -0.355 175.781 176.094 0.071 0.000 1.029 278 V CA -0.706 61.672 62.300 0.130 0.000 0.870 278 V CB 1.296 33.194 31.823 0.124 0.000 0.984 278 V HN 0.692 nan 8.190 nan 0.000 0.451 279 E N 3.366 123.612 120.200 0.076 0.000 2.183 279 E HA 0.414 4.765 4.350 0.001 0.000 0.271 279 E C -0.660 176.021 176.600 0.135 0.000 0.919 279 E CA -0.584 55.868 56.400 0.088 0.000 0.781 279 E CB 1.861 31.615 29.700 0.089 0.000 1.140 279 E HN 0.688 nan 8.360 nan 0.000 0.402 280 Q N 2.482 122.352 119.800 0.117 0.000 2.267 280 Q HA 0.359 4.699 4.340 0.001 0.000 0.255 280 Q C -0.838 175.363 176.000 0.334 0.000 0.923 280 Q CA -0.475 55.435 55.803 0.178 0.000 0.925 280 Q CB 1.476 30.184 28.738 -0.049 0.000 1.195 280 Q HN 0.430 nan 8.270 nan 0.000 0.417 281 Y N 1.502 121.994 120.300 0.320 0.000 2.386 281 Y HA 0.504 5.054 4.550 0.001 0.000 0.334 281 Y C -1.676 174.333 175.900 0.182 0.000 1.002 281 Y CA -0.910 57.333 58.100 0.237 0.000 1.068 281 Y CB 1.399 40.009 38.460 0.249 0.000 1.203 281 Y HN 0.430 nan 8.280 nan 0.000 0.443 282 V N 7.806 127.444 119.914 -0.458 0.000 2.531 282 V HA 0.452 4.573 4.120 0.001 0.000 0.301 282 V C -0.897 174.857 176.094 -0.567 0.000 1.034 282 V CA -0.833 61.229 62.300 -0.397 0.000 0.865 282 V CB 1.736 33.458 31.823 -0.169 0.000 0.995 282 V HN 0.779 nan 8.190 nan 0.000 0.424 283 L N 3.931 124.915 121.223 -0.398 0.000 2.329 283 L HA 0.865 5.205 4.340 0.001 0.000 0.279 283 L C -0.151 176.579 176.870 -0.233 0.000 1.014 283 L CA 0.391 55.088 54.840 -0.238 0.000 0.814 283 L CB 2.184 44.199 42.059 -0.074 0.000 1.257 283 L HN 0.752 nan 8.230 nan 0.000 0.424 284 T N 2.491 116.933 114.554 -0.186 0.000 2.883 284 T HA 0.286 4.636 4.350 0.001 0.000 0.301 284 T C -1.126 173.360 174.700 -0.358 0.000 1.158 284 T CA -0.608 61.348 62.100 -0.240 0.000 1.007 284 T CB 1.573 70.368 68.868 -0.122 0.000 1.186 284 T HN 0.768 nan 8.240 nan 0.000 0.499 285 E N 1.242 121.134 120.200 -0.514 0.000 2.410 285 E HA 0.451 4.802 4.350 0.001 0.000 0.255 285 E C 0.035 176.305 176.600 -0.549 0.000 1.194 285 E CA -0.597 55.365 56.400 -0.729 0.000 0.955 285 E CB 0.509 29.873 29.700 -0.561 0.000 0.988 285 E HN 0.556 nan 8.360 nan 0.000 0.461 286 A N 1.944 124.488 122.820 -0.461 0.000 3.051 286 A HA 0.203 4.523 4.320 0.001 0.000 0.257 286 A C -0.196 176.953 177.584 -0.725 0.000 1.785 286 A CA 0.045 51.452 52.037 -1.051 0.000 1.420 286 A CB -1.206 17.512 19.000 -0.471 0.000 1.063 286 A HN 0.529 nan 8.150 nan 0.000 0.630 287 S N -0.255 115.154 115.700 -0.484 0.000 2.570 287 S HA 0.596 5.066 4.470 0.001 0.000 0.286 287 S C 0.731 175.381 174.600 0.083 0.000 1.099 287 S CA -0.788 57.342 58.200 -0.117 0.000 0.913 287 S CB 1.099 64.262 63.200 -0.063 0.000 1.085 287 S HN 0.254 nan 8.310 nan 0.000 0.480 288 L N 0.984 122.266 121.223 0.097 0.000 2.079 288 L HA -0.137 4.203 4.340 0.001 0.000 0.210 288 L C 2.811 179.701 176.870 0.034 0.000 1.081 288 L CA 2.146 57.008 54.840 0.037 0.000 0.752 288 L CB -0.562 41.503 42.059 0.010 0.000 0.896 288 L HN 0.986 nan 8.230 nan 0.000 0.433 289 E N 0.481 120.698 120.200 0.028 0.000 2.017 289 E HA -0.258 4.093 4.350 0.001 0.000 0.193 289 E C 2.230 178.836 176.600 0.010 0.000 0.997 289 E CA 1.441 57.854 56.400 0.020 0.000 0.804 289 E CB -0.067 29.641 29.700 0.014 0.000 0.757 289 E HN 0.393 nan 8.360 nan 0.000 0.448 290 A N 0.606 123.419 122.820 -0.011 0.000 1.892 290 A HA -0.261 4.060 4.320 0.001 0.000 0.218 290 A C 2.434 180.018 177.584 0.001 0.000 1.188 290 A CA 2.368 54.385 52.037 -0.033 0.000 0.631 290 A CB -1.149 17.797 19.000 -0.090 0.000 0.822 290 A HN 0.395 nan 8.150 nan 0.000 0.447 291 S N -0.683 115.043 115.700 0.044 0.000 2.383 291 S HA -0.155 4.316 4.470 0.001 0.000 0.227 291 S C 1.607 176.243 174.600 0.061 0.000 1.026 291 S CA 1.569 59.810 58.200 0.068 0.000 0.981 291 S CB -0.534 62.727 63.200 0.102 0.000 0.818 291 S HN 0.546 nan 8.310 nan 0.000 0.472 292 D N 0.943 121.363 120.400 0.034 0.000 2.144 292 D HA -0.055 4.586 4.640 0.001 0.000 0.199 292 D C 2.088 178.439 176.300 0.086 0.000 0.984 292 D CA 0.867 54.887 54.000 0.032 0.000 0.834 292 D CB -0.304 40.508 40.800 0.019 0.000 0.955 292 D HN 0.406 nan 8.370 nan 0.000 0.465 293 R N 0.516 121.052 120.500 0.059 0.000 2.070 293 R HA -0.059 4.281 4.340 0.001 0.000 0.233 293 R C 2.051 178.389 176.300 0.065 0.000 1.137 293 R CA 1.634 57.764 56.100 0.050 0.000 0.945 293 R CB -0.229 30.080 30.300 0.016 0.000 0.845 293 R HN 0.115 nan 8.270 nan 0.000 0.430 294 A N -0.203 122.654 122.820 0.062 0.000 1.969 294 A HA -0.128 4.193 4.320 0.001 0.000 0.218 294 A C 2.025 179.674 177.584 0.108 0.000 1.169 294 A CA 1.025 53.101 52.037 0.065 0.000 0.635 294 A CB -0.733 18.280 19.000 0.022 0.000 0.810 294 A HN 0.525 nan 8.150 nan 0.000 0.445 295 F N 0.517 120.457 119.950 -0.016 0.000 2.134 295 F HA -0.229 4.299 4.527 0.001 0.000 0.299 295 F C 2.559 178.341 175.800 -0.030 0.000 1.097 295 F CA 2.111 60.093 58.000 -0.030 0.000 1.264 295 F CB -0.029 38.934 39.000 -0.062 0.000 1.001 295 F HN 0.175 nan 8.300 nan 0.000 0.479 296 Q N 0.486 120.377 119.800 0.153 0.000 2.050 296 Q HA -0.271 4.069 4.340 0.001 0.000 0.202 296 Q C 2.245 178.236 176.000 -0.015 0.000 0.980 296 Q CA 2.049 57.887 55.803 0.058 0.000 0.840 296 Q CB -0.790 27.994 28.738 0.077 0.000 0.898 296 Q HN 0.664 nan 8.270 nan 0.000 0.424 297 E N -0.002 120.208 120.200 0.016 0.000 2.058 297 E HA -0.194 4.156 4.350 0.001 0.000 0.194 297 E C 1.910 178.491 176.600 -0.031 0.000 0.997 297 E CA 0.754 57.169 56.400 0.024 0.000 0.801 297 E CB 0.008 29.765 29.700 0.095 0.000 0.746 297 E HN 0.114 nan 8.360 nan 0.000 0.450 298 L N 0.534 121.719 121.223 -0.062 0.000 2.042 298 L HA -0.164 4.177 4.340 0.001 0.000 0.210 298 L C 2.381 179.112 176.870 -0.233 0.000 1.076 298 L CA 1.187 55.940 54.840 -0.145 0.000 0.749 298 L CB -0.815 41.154 42.059 -0.149 0.000 0.893 298 L HN 0.295 nan 8.230 nan 0.000 0.432 299 L N -0.687 120.360 121.223 -0.294 0.000 2.027 299 L HA -0.163 4.178 4.340 0.001 0.000 0.206 299 L C 2.464 179.209 176.870 -0.209 0.000 1.074 299 L CA 1.599 56.261 54.840 -0.298 0.000 0.745 299 L CB -0.615 41.244 42.059 -0.333 0.000 0.898 299 L HN 0.319 nan 8.230 nan 0.000 0.433 300 E N -0.710 119.414 120.200 -0.127 0.000 2.118 300 E HA -0.235 4.115 4.350 0.001 0.000 0.195 300 E C 1.936 178.491 176.600 -0.075 0.000 0.992 300 E CA 1.411 57.767 56.400 -0.073 0.000 0.804 300 E CB -0.151 29.540 29.700 -0.016 0.000 0.741 300 E HN 0.628 nan 8.360 nan 0.000 0.458 301 N N 0.214 118.869 118.700 -0.074 0.000 2.043 301 N HA -0.190 4.551 4.740 0.001 0.000 0.193 301 N C 1.920 177.308 175.510 -0.205 0.000 1.037 301 N CA 0.964 54.003 53.050 -0.019 0.000 0.851 301 N CB -0.127 38.301 38.487 -0.099 0.000 1.027 301 N HN 0.086 nan 8.380 nan 0.000 0.422 302 A N 1.394 124.027 122.820 -0.311 0.000 1.930 302 A HA -0.162 4.159 4.320 0.001 0.000 0.217 302 A C 1.937 179.157 177.584 -0.606 0.000 1.175 302 A CA 1.288 53.008 52.037 -0.528 0.000 0.627 302 A CB -0.396 18.132 19.000 -0.787 0.000 0.815 302 A HN 0.304 nan 8.150 nan 0.000 0.443 303 E N -0.758 119.139 120.200 -0.505 0.000 2.077 303 E HA -0.235 4.115 4.350 0.001 0.000 0.193 303 E C 2.051 178.462 176.600 -0.315 0.000 0.989 303 E CA 1.357 57.447 56.400 -0.517 0.000 0.800 303 E CB -0.094 29.460 29.700 -0.243 0.000 0.746 303 E HN 0.707 nan 8.360 nan 0.000 0.452 304 E N 1.300 121.371 120.200 -0.214 0.000 2.072 304 E HA -0.134 4.217 4.350 0.001 0.000 0.191 304 E C 1.875 178.281 176.600 -0.324 0.000 0.985 304 E CA 0.855 57.172 56.400 -0.137 0.000 0.801 304 E CB -0.212 29.522 29.700 0.056 0.000 0.750 304 E HN 0.222 nan 8.360 nan 0.000 0.452 305 I N 0.317 120.523 120.570 -0.607 0.000 2.194 305 I HA -0.306 3.864 4.170 0.001 0.000 0.246 305 I C 2.265 178.273 176.117 -0.182 0.000 1.093 305 I CA 1.132 62.111 61.300 -0.536 0.000 1.355 305 I CB -0.280 37.391 38.000 -0.549 0.000 1.046 305 I HN 0.198 nan 8.210 nan 0.000 0.413 306 L N -0.079 121.000 121.223 -0.240 0.000 2.141 306 L HA -0.176 4.165 4.340 0.001 0.000 0.209 306 L C 2.750 179.625 176.870 0.007 0.000 1.094 306 L CA 0.982 55.733 54.840 -0.148 0.000 0.763 306 L CB -0.541 41.284 42.059 -0.391 0.000 0.908 306 L HN 0.224 nan 8.230 nan 0.000 0.437 307 R N 0.175 120.685 120.500 0.017 0.000 2.070 307 R HA -0.179 4.161 4.340 0.001 0.000 0.233 307 R C 2.288 178.636 176.300 0.079 0.000 1.137 307 R CA 1.333 57.495 56.100 0.103 0.000 0.945 307 R CB -0.140 30.220 30.300 0.100 0.000 0.845 307 R HN 0.160 nan 8.270 nan 0.000 0.430 308 L N 0.869 122.129 121.223 0.063 0.000 2.081 308 L HA -0.184 4.157 4.340 0.001 0.000 0.212 308 L C 2.066 178.964 176.870 0.045 0.000 1.080 308 L CA 1.390 56.291 54.840 0.102 0.000 0.754 308 L CB -0.880 41.310 42.059 0.217 0.000 0.893 308 L HN 0.274 nan 8.230 nan 0.000 0.433 309 L N -0.371 120.871 121.223 0.032 0.000 2.554 309 L HA -0.007 4.334 4.340 0.001 0.000 0.226 309 L C 0.833 177.796 176.870 0.156 0.000 1.137 309 L CA 0.424 55.275 54.840 0.018 0.000 0.863 309 L CB -0.917 41.137 42.059 -0.008 0.000 0.985 309 L HN 0.377 nan 8.230 nan 0.000 0.451 310 E N -0.224 120.057 120.200 0.135 0.000 2.320 310 E HA -0.232 4.119 4.350 0.001 0.000 0.234 310 E C -0.506 176.260 176.600 0.276 0.000 1.183 310 E CA 0.144 56.650 56.400 0.176 0.000 0.713 310 E CB -1.574 28.186 29.700 0.100 0.000 1.226 310 E HN 0.315 nan 8.360 nan 0.000 0.382 311 L N 0.643 121.993 121.223 0.213 0.000 2.346 311 L HA 0.581 4.921 4.340 0.001 0.000 0.274 311 L C -2.016 175.010 176.870 0.259 0.000 1.007 311 L CA -2.272 52.684 54.840 0.193 0.000 0.818 311 L CB 1.362 43.491 42.059 0.117 0.000 1.284 311 L HN -0.116 nan 8.230 nan 0.000 0.424 312 P HA 0.276 nan 4.420 nan 0.000 0.285 312 P C -1.720 175.803 177.300 0.370 0.000 1.259 312 P CA -0.103 63.112 63.100 0.192 0.000 0.794 312 P CB 0.920 32.679 31.700 0.097 0.000 0.940 313 Y N 0.635 121.073 120.300 0.229 0.000 2.715 313 Y HA 0.809 5.360 4.550 0.001 0.000 0.331 313 Y C -0.610 175.304 175.900 0.024 0.000 1.197 313 Y CA -1.422 56.815 58.100 0.228 0.000 1.079 313 Y CB 1.389 39.904 38.460 0.090 0.000 1.298 313 Y HN 0.555 nan 8.280 nan 0.000 0.477 314 R N 0.568 121.085 120.500 0.029 0.000 2.764 314 R HA 0.748 5.088 4.340 0.001 0.000 0.270 314 R C -2.409 173.895 176.300 0.007 0.000 1.014 314 R CA -1.006 54.975 56.100 -0.199 0.000 0.904 314 R CB 1.578 31.499 30.300 -0.632 0.000 1.236 314 R HN 0.560 nan 8.270 nan 0.000 0.466 315 L N 1.287 122.503 121.223 -0.012 0.000 2.309 315 L HA 0.538 4.879 4.340 0.001 0.000 0.282 315 L C -0.687 176.175 176.870 -0.013 0.000 1.036 315 L CA -0.771 54.079 54.840 0.017 0.000 0.806 315 L CB 2.089 44.173 42.059 0.043 0.000 1.220 315 L HN 0.487 nan 8.230 nan 0.000 0.429 316 V N 2.754 122.673 119.914 0.010 0.000 2.407 316 V HA 0.358 4.478 4.120 0.001 0.000 0.291 316 V C -0.097 176.028 176.094 0.050 0.000 1.018 316 V CA -0.931 61.378 62.300 0.015 0.000 0.842 316 V CB 1.634 33.462 31.823 0.008 0.000 0.996 316 V HN 0.585 nan 8.190 nan 0.000 0.426 317 E N 3.137 123.374 120.200 0.062 0.000 2.324 317 E HA 0.223 4.573 4.350 0.001 0.000 0.271 317 E C -0.473 176.170 176.600 0.072 0.000 1.028 317 E CA 0.058 56.515 56.400 0.095 0.000 0.890 317 E CB 1.752 31.515 29.700 0.105 0.000 1.004 317 E HN 0.412 nan 8.360 nan 0.000 0.431 318 V N 2.730 122.694 119.914 0.083 0.000 2.509 318 V HA 0.325 4.446 4.120 0.001 0.000 0.284 318 V C 0.615 176.734 176.094 0.042 0.000 1.047 318 V CA -0.676 61.658 62.300 0.057 0.000 0.952 318 V CB 1.472 33.330 31.823 0.058 0.000 0.988 318 V HN 0.758 nan 8.190 nan 0.000 0.469 319 A N 3.179 126.008 122.820 0.016 0.000 2.366 319 A HA 0.399 4.720 4.320 0.001 0.000 0.249 319 A C 1.603 179.177 177.584 -0.016 0.000 1.084 319 A CA 0.379 52.410 52.037 -0.010 0.000 0.794 319 A CB 0.242 19.233 19.000 -0.014 0.000 1.034 319 A HN 1.136 nan 8.150 nan 0.000 0.491 320 T N -0.652 113.875 114.554 -0.044 0.000 2.737 320 T HA -0.123 4.227 4.350 0.001 0.000 0.269 320 T C 1.516 176.199 174.700 -0.028 0.000 1.040 320 T CA 1.767 63.837 62.100 -0.051 0.000 1.142 320 T CB -0.581 68.239 68.868 -0.080 0.000 0.861 320 T HN 1.011 nan 8.240 nan 0.000 0.456 321 G N 0.056 108.844 108.800 -0.019 0.000 2.920 321 G HA2 0.140 4.101 3.960 0.001 0.000 0.208 321 G HA3 0.140 4.101 3.960 0.001 0.000 0.208 321 G C 0.932 175.838 174.900 0.009 0.000 1.159 321 G CA 0.534 45.631 45.100 -0.005 0.000 0.784 321 G HN 0.577 nan 8.290 nan 0.000 0.535 322 D N -1.101 119.306 120.400 0.013 0.000 2.502 322 D HA 0.154 4.795 4.640 0.001 0.000 0.232 322 D C 2.066 178.388 176.300 0.038 0.000 1.137 322 D CA -0.263 53.755 54.000 0.030 0.000 0.827 322 D CB 0.004 40.820 40.800 0.028 0.000 1.141 322 D HN 0.102 nan 8.370 nan 0.000 0.517 323 M N 0.107 119.719 119.600 0.021 0.000 2.229 323 M HA 0.159 4.639 4.480 0.001 0.000 0.264 323 M C 0.621 176.925 176.300 0.006 0.000 1.063 323 M CA 1.457 56.764 55.300 0.012 0.000 1.114 323 M CB 0.032 32.626 32.600 -0.009 0.000 1.387 323 M HN 0.154 nan 8.290 nan 0.000 0.420 324 G N -0.725 108.087 108.800 0.021 0.000 2.662 324 G HA2 -0.124 3.837 3.960 0.001 0.000 0.686 324 G HA3 -0.124 3.837 3.960 0.001 0.000 0.686 324 G C -2.695 172.149 174.900 -0.093 0.000 1.271 324 G CA -0.629 44.494 45.100 0.039 0.000 0.816 324 G HN 0.129 nan 8.290 nan 0.000 0.608 325 P HA 0.122 nan 4.420 nan 0.000 0.224 325 P C 1.682 178.520 177.300 -0.770 0.000 1.157 325 P CA 1.732 64.676 63.100 -0.261 0.000 0.799 325 P CB 0.160 31.827 31.700 -0.056 0.000 0.809 326 G N -1.107 106.960 108.800 -1.222 0.000 3.042 326 G HA2 0.013 3.974 3.960 0.001 0.000 0.212 326 G HA3 0.013 3.974 3.960 0.001 0.000 0.212 326 G C 0.393 174.867 174.900 -0.711 0.000 1.166 326 G CA 0.041 43.940 45.100 -2.002 0.000 0.767 326 G HN 0.151 nan 8.290 nan 0.000 0.546 327 K N -0.133 120.039 120.400 -0.380 0.000 2.174 327 K HA 0.270 4.591 4.320 0.001 0.000 0.275 327 K C 0.398 177.006 176.600 0.014 0.000 1.015 327 K CA -0.948 55.269 56.287 -0.118 0.000 0.933 327 K CB 1.368 33.825 32.500 -0.070 0.000 1.025 327 K HN 0.210 nan 8.250 nan 0.000 0.463 328 W N 3.800 125.019 121.300 -0.134 0.000 2.560 328 W HA 0.102 4.763 4.660 0.001 0.000 0.303 328 W C -0.125 176.368 176.519 -0.044 0.000 1.151 328 W CA 0.664 57.952 57.345 -0.095 0.000 1.426 328 W CB 0.576 29.935 29.460 -0.168 0.000 1.135 328 W HN 0.290 nan 8.180 nan 0.000 0.522 329 R N 1.156 121.572 120.500 -0.139 0.000 2.725 329 R HA 0.235 4.575 4.340 0.001 0.000 0.277 329 R C -1.397 174.874 176.300 -0.048 0.000 0.987 329 R CA -0.445 55.435 56.100 -0.367 0.000 0.901 329 R CB 2.344 31.966 30.300 -1.129 0.000 1.207 329 R HN 0.071 nan 8.270 nan 0.000 0.463 330 Q N 2.633 122.470 119.800 0.062 0.000 2.305 330 Q HA 0.449 4.789 4.340 0.001 0.000 0.271 330 Q C -1.784 174.338 176.000 0.204 0.000 1.046 330 Q CA -0.671 55.238 55.803 0.176 0.000 0.798 330 Q CB 2.496 31.291 28.738 0.096 0.000 1.286 330 Q HN 0.344 nan 8.270 nan 0.000 0.435 331 V N 3.481 123.545 119.914 0.250 0.000 2.487 331 V HA 0.350 4.470 4.120 0.001 0.000 0.298 331 V C -0.944 175.185 176.094 0.059 0.000 1.028 331 V CA -0.762 61.628 62.300 0.150 0.000 0.860 331 V CB 1.977 33.903 31.823 0.173 0.000 0.991 331 V HN 0.784 nan 8.190 nan 0.000 0.427 332 D N 4.172 124.603 120.400 0.052 0.000 2.177 332 D HA 0.538 5.178 4.640 0.001 0.000 0.247 332 D C -0.204 176.117 176.300 0.034 0.000 1.063 332 D CA -0.016 54.009 54.000 0.042 0.000 0.867 332 D CB 1.908 42.735 40.800 0.044 0.000 1.168 332 D HN 0.333 nan 8.370 nan 0.000 0.445 333 I N 1.700 122.294 120.570 0.041 0.000 2.385 333 I HA 0.244 4.415 4.170 0.001 0.000 0.294 333 I C 0.495 176.676 176.117 0.107 0.000 0.988 333 I CA -0.517 60.807 61.300 0.041 0.000 1.265 333 I CB 1.053 38.994 38.000 -0.098 0.000 1.388 333 I HN 0.071 nan 8.210 nan 0.000 0.480 334 E N 5.087 125.370 120.200 0.139 0.000 2.266 334 E HA 0.563 4.913 4.350 0.001 0.000 0.268 334 E C -1.382 175.428 176.600 0.350 0.000 0.879 334 E CA -0.844 55.674 56.400 0.196 0.000 0.762 334 E CB 3.249 33.056 29.700 0.179 0.000 1.199 334 E HN 0.222 nan 8.360 nan 0.000 0.422 335 V N 2.619 122.710 119.914 0.295 0.000 2.483 335 V HA 0.133 4.254 4.120 0.001 0.000 0.295 335 V C -0.718 175.484 176.094 0.180 0.000 1.035 335 V CA -0.803 61.676 62.300 0.298 0.000 0.896 335 V CB 1.001 32.908 31.823 0.142 0.000 0.986 335 V HN 0.624 nan 8.190 nan 0.000 0.447 336 Y N 4.927 125.192 120.300 -0.058 0.000 2.632 336 Y HA 0.310 4.860 4.550 0.000 0.000 0.329 336 Y C -0.207 175.565 175.900 -0.213 0.000 1.174 336 Y CA -0.069 57.765 58.100 -0.443 0.000 1.469 336 Y CB 0.707 38.805 38.460 -0.604 0.000 1.242 336 Y HN 0.546 nan 8.280 nan 0.000 0.540 337 L N 10.626 131.356 121.223 -0.821 0.000 2.301 337 L HA 0.454 4.794 4.340 0.001 0.000 0.278 337 L C -2.176 174.301 176.870 -0.656 0.000 1.022 337 L CA -2.121 52.397 54.840 -0.536 0.000 0.854 337 L CB 1.454 43.314 42.059 -0.332 0.000 1.226 337 L HN 0.422 nan 8.230 nan 0.000 0.429 338 P HA -0.171 nan 4.420 nan 0.000 0.215 338 P C 1.573 178.806 177.300 -0.112 0.000 1.153 338 P CA 1.750 64.778 63.100 -0.120 0.000 0.853 338 P CB 0.213 32.026 31.700 0.188 0.000 0.788 339 S N -0.458 115.184 115.700 -0.098 0.000 2.419 339 S HA -0.186 4.284 4.470 0.001 0.000 0.235 339 S C 1.596 176.143 174.600 -0.088 0.000 1.019 339 S CA 1.282 59.440 58.200 -0.069 0.000 0.982 339 S CB -1.076 62.099 63.200 -0.041 0.000 0.789 339 S HN 0.296 nan 8.310 nan 0.000 0.490 340 E N 0.508 120.621 120.200 -0.144 0.000 2.481 340 E HA 0.327 4.678 4.350 0.001 0.000 0.198 340 E C 1.023 177.536 176.600 -0.145 0.000 1.027 340 E CA 0.079 56.402 56.400 -0.128 0.000 0.900 340 E CB 0.173 29.797 29.700 -0.128 0.000 0.993 340 E HN 0.633 nan 8.360 nan 0.000 0.482 341 G N 2.692 111.365 108.800 -0.211 0.000 2.225 341 G HA2 -0.342 3.619 3.960 0.001 0.000 0.267 341 G HA3 -0.342 3.619 3.960 0.001 0.000 0.267 341 G C 0.055 174.868 174.900 -0.146 0.000 1.024 341 G CA 1.080 46.111 45.100 -0.114 0.000 0.784 341 G HN 0.348 nan 8.290 nan 0.000 0.507 342 R N -2.568 117.690 120.500 -0.403 0.000 2.752 342 R HA 0.684 5.024 4.340 0.001 0.000 0.271 342 R C -0.663 175.410 176.300 -0.377 0.000 1.026 342 R CA -1.370 54.605 56.100 -0.209 0.000 0.901 342 R CB 0.718 31.004 30.300 -0.022 0.000 1.243 342 R HN 0.052 nan 8.270 nan 0.000 0.463 343 Y N 0.690 120.996 120.300 0.010 0.000 2.411 343 Y HA 0.366 4.917 4.550 0.001 0.000 0.333 343 Y C 0.409 176.290 175.900 -0.031 0.000 1.186 343 Y CA 0.003 58.117 58.100 0.024 0.000 1.381 343 Y CB 0.835 39.358 38.460 0.106 0.000 1.273 343 Y HN 0.113 nan 8.280 nan 0.000 0.546 344 R N 2.144 122.703 120.500 0.098 0.000 2.561 344 R HA 0.184 4.524 4.340 0.001 0.000 0.297 344 R C -0.598 175.726 176.300 0.040 0.000 0.969 344 R CA -0.998 55.116 56.100 0.024 0.000 0.879 344 R CB 1.885 32.145 30.300 -0.067 0.000 1.178 344 R HN 0.764 nan 8.270 nan 0.000 0.445 345 E N 1.242 121.456 120.200 0.023 0.000 2.442 345 E HA -0.029 4.321 4.350 0.001 0.000 0.262 345 E C -0.028 176.558 176.600 -0.023 0.000 1.004 345 E CA 0.698 57.112 56.400 0.023 0.000 0.928 345 E CB 0.771 30.477 29.700 0.010 0.000 0.937 345 E HN 0.706 nan 8.360 nan 0.000 0.446 346 T N 0.353 114.908 114.554 0.002 0.000 2.993 346 T HA 0.161 4.512 4.350 0.001 0.000 0.260 346 T C -0.210 174.306 174.700 -0.305 0.000 0.939 346 T CA -0.307 61.724 62.100 -0.115 0.000 0.886 346 T CB 0.132 68.980 68.868 -0.033 0.000 1.209 346 T HN 0.484 nan 8.240 nan 0.000 0.518 347 H N 1.377 120.411 119.070 -0.060 0.000 2.894 347 H HA 0.700 5.256 4.556 0.001 0.000 0.367 347 H C -1.074 174.225 175.328 -0.049 0.000 1.144 347 H CA -0.784 55.225 56.048 -0.064 0.000 1.180 347 H CB 2.024 31.723 29.762 -0.105 0.000 1.758 347 H HN 0.248 nan 8.280 nan 0.000 0.541 348 S N 1.032 116.778 115.700 0.076 0.000 2.707 348 S HA 0.428 4.898 4.470 0.001 0.000 0.303 348 S C -0.634 173.977 174.600 0.019 0.000 1.132 348 S CA -0.709 57.517 58.200 0.043 0.000 1.046 348 S CB 0.804 64.025 63.200 0.035 0.000 1.004 348 S HN 0.699 nan 8.310 nan 0.000 0.483 349 C N 3.537 122.821 119.300 -0.028 0.000 2.295 349 C HA 0.825 5.285 4.460 0.001 0.000 0.331 349 C C 0.032 175.050 174.990 0.047 0.000 1.280 349 C CA 0.124 59.065 59.018 -0.129 0.000 1.746 349 C CB -0.077 27.408 27.740 -0.425 0.000 2.328 349 C HN 0.960 nan 8.230 nan 0.000 0.521 350 S N 3.318 119.095 115.700 0.128 0.000 2.538 350 S HA 0.818 5.288 4.470 0.001 0.000 0.288 350 S C -0.608 174.182 174.600 0.317 0.000 1.108 350 S CA -0.415 57.935 58.200 0.249 0.000 0.971 350 S CB 1.704 64.975 63.200 0.117 0.000 1.041 350 S HN 1.089 nan 8.310 nan 0.000 0.483 351 A N 2.082 125.091 122.820 0.315 0.000 2.324 351 A HA 0.773 5.093 4.320 0.001 0.000 0.330 351 A C -0.067 177.581 177.584 0.107 0.000 1.165 351 A CA -0.518 51.631 52.037 0.187 0.000 0.813 351 A CB 0.388 19.448 19.000 0.100 0.000 1.197 351 A HN 0.747 nan 8.150 nan 0.000 0.484 352 L N 2.015 123.265 121.223 0.045 0.000 2.672 352 L HA 0.304 4.645 4.340 0.001 0.000 0.236 352 L C 0.953 177.784 176.870 -0.064 0.000 1.092 352 L CA 0.330 55.196 54.840 0.043 0.000 0.887 352 L CB -0.742 41.390 42.059 0.122 0.000 1.168 352 L HN 0.905 nan 8.230 nan 0.000 0.502 353 L N -0.271 120.757 121.223 -0.326 0.000 6.599 353 L HA -0.372 3.969 4.340 0.001 0.000 0.053 353 L C 0.378 177.020 176.870 -0.381 0.000 2.154 353 L CA 1.551 55.856 54.840 -0.891 0.000 1.573 353 L CB -1.138 40.282 42.059 -1.065 0.000 2.834 353 L HN 0.482 nan 8.230 nan 0.000 1.072 354 D N -1.422 118.876 120.400 -0.170 0.000 2.491 354 D HA 0.064 4.704 4.640 0.001 0.000 0.228 354 D C 1.007 177.388 176.300 0.135 0.000 1.183 354 D CA -0.065 54.045 54.000 0.183 0.000 0.827 354 D CB -0.277 40.727 40.800 0.340 0.000 0.989 354 D HN 0.577 nan 8.370 nan 0.000 0.494 355 W N 1.145 122.427 121.300 -0.031 0.000 2.481 355 W HA 0.013 4.674 4.660 0.001 0.000 0.293 355 W C 1.964 178.483 176.519 -0.001 0.000 1.201 355 W CA 1.048 58.387 57.345 -0.010 0.000 1.328 355 W CB 0.250 29.723 29.460 0.022 0.000 1.112 355 W HN -0.073 nan 8.180 nan 0.000 0.546 356 Q N 0.104 120.092 119.800 0.313 0.000 2.079 356 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 356 Q C 2.407 178.424 176.000 0.027 0.000 0.974 356 Q CA 1.653 57.540 55.803 0.140 0.000 0.840 356 Q CB -0.781 28.110 28.738 0.255 0.000 0.898 356 Q HN 0.339 nan 8.270 nan 0.000 0.430 357 A N 1.896 124.761 122.820 0.074 0.000 1.892 357 A HA -0.243 4.078 4.320 0.001 0.000 0.218 357 A C 2.058 179.546 177.584 -0.159 0.000 1.188 357 A CA 1.614 53.694 52.037 0.071 0.000 0.631 357 A CB -0.530 18.588 19.000 0.196 0.000 0.822 357 A HN 0.256 nan 8.150 nan 0.000 0.447 358 R N -0.970 119.260 120.500 -0.450 0.000 2.152 358 R HA -0.059 4.282 4.340 0.001 0.000 0.232 358 R C 2.313 178.384 176.300 -0.383 0.000 1.117 358 R CA 1.370 57.010 56.100 -0.766 0.000 0.981 358 R CB -0.225 29.656 30.300 -0.698 0.000 0.870 358 R HN 0.511 nan 8.270 nan 0.000 0.451 359 R N 0.015 120.333 120.500 -0.303 0.000 2.112 359 R HA 0.109 4.449 4.340 0.001 0.000 0.216 359 R C 1.840 178.080 176.300 -0.101 0.000 1.080 359 R CA 1.007 56.965 56.100 -0.236 0.000 0.996 359 R CB 0.113 30.207 30.300 -0.342 0.000 0.902 359 R HN 0.109 nan 8.270 nan 0.000 0.449 360 A N 0.615 123.405 122.820 -0.050 0.000 2.275 360 A HA 0.028 4.348 4.320 0.001 0.000 0.212 360 A C 0.268 177.892 177.584 0.067 0.000 1.201 360 A CA -0.168 51.880 52.037 0.018 0.000 0.843 360 A CB -0.414 18.615 19.000 0.047 0.000 0.873 360 A HN 0.564 nan 8.150 nan 0.000 0.492 361 N N -0.416 118.334 118.700 0.082 0.000 2.696 361 N HA -0.135 4.605 4.740 0.001 0.000 0.256 361 N C -1.138 174.502 175.510 0.216 0.000 1.031 361 N CA 0.049 53.215 53.050 0.194 0.000 0.730 361 N CB -0.927 37.645 38.487 0.142 0.000 0.894 361 N HN 0.451 nan 8.380 nan 0.000 0.544 362 L N 1.698 123.074 121.223 0.255 0.000 2.265 362 L HA 0.538 4.879 4.340 0.001 0.000 0.289 362 L C 0.608 177.673 176.870 0.326 0.000 1.033 362 L CA -0.370 54.627 54.840 0.261 0.000 0.814 362 L CB 1.480 43.689 42.059 0.250 0.000 1.203 362 L HN 0.140 nan 8.230 nan 0.000 0.423 363 R N 2.381 123.011 120.500 0.217 0.000 2.837 363 R HA 0.685 5.025 4.340 0.001 0.000 0.271 363 R C -1.554 174.832 176.300 0.143 0.000 0.993 363 R CA -0.914 55.249 56.100 0.104 0.000 0.931 363 R CB 2.746 33.008 30.300 -0.063 0.000 1.206 363 R HN 0.547 nan 8.270 nan 0.000 0.474 364 Y N -1.770 118.520 120.300 -0.016 0.000 2.615 364 Y HA 0.564 5.115 4.550 0.001 0.000 0.341 364 Y C -1.149 174.743 175.900 -0.013 0.000 1.089 364 Y CA -1.420 56.672 58.100 -0.012 0.000 1.049 364 Y CB 1.342 39.797 38.460 -0.008 0.000 1.296 364 Y HN 0.397 nan 8.280 nan 0.000 0.470 365 R N 2.473 123.029 120.500 0.093 0.000 2.229 365 R HA 0.259 4.599 4.340 0.001 0.000 0.328 365 R C -0.997 175.388 176.300 0.141 0.000 1.009 365 R CA -0.584 55.503 56.100 -0.022 0.000 0.864 365 R CB 0.443 30.746 30.300 0.005 0.000 1.085 365 R HN 0.938 nan 8.270 nan 0.000 0.453 366 D N 4.754 125.128 120.400 -0.043 0.000 2.383 366 D HA 0.143 4.783 4.640 0.001 0.000 0.248 366 D C -1.744 174.443 176.300 -0.188 0.000 1.170 366 D CA -1.975 52.040 54.000 0.026 0.000 0.977 366 D CB 0.605 41.415 40.800 0.015 0.000 1.120 366 D HN 0.218 nan 8.370 nan 0.000 0.481 367 P HA -0.135 nan 4.420 nan 0.000 0.219 367 P C 0.772 177.942 177.300 -0.215 0.000 1.146 367 P CA 1.151 63.989 63.100 -0.438 0.000 0.808 367 P CB 0.072 31.428 31.700 -0.573 0.000 0.779 368 E N -1.245 118.852 120.200 -0.171 0.000 2.347 368 E HA 0.018 4.368 4.350 0.001 0.000 0.196 368 E C 1.516 178.059 176.600 -0.095 0.000 1.008 368 E CA 1.087 57.418 56.400 -0.114 0.000 0.852 368 E CB -0.509 29.132 29.700 -0.098 0.000 0.783 368 E HN 0.317 nan 8.360 nan 0.000 0.505 369 G N 1.769 110.508 108.800 -0.101 0.000 2.159 369 G HA2 -0.266 3.695 3.960 0.001 0.000 0.227 369 G HA3 -0.266 3.695 3.960 0.001 0.000 0.227 369 G C 0.203 175.049 174.900 -0.091 0.000 0.986 369 G CA -0.015 45.035 45.100 -0.082 0.000 0.651 369 G HN 0.157 nan 8.290 nan 0.000 0.523 370 R N -0.445 119.986 120.500 -0.114 0.000 2.500 370 R HA 0.601 4.942 4.340 0.001 0.000 0.277 370 R C -0.027 176.144 176.300 -0.215 0.000 1.026 370 R CA -0.653 55.362 56.100 -0.141 0.000 1.058 370 R CB 1.812 32.032 30.300 -0.132 0.000 1.078 370 R HN 0.061 nan 8.270 nan 0.000 0.509 371 V N 3.190 122.964 119.914 -0.233 0.000 2.407 371 V HA 0.391 4.511 4.120 0.001 0.000 0.278 371 V C 0.265 176.114 176.094 -0.409 0.000 1.037 371 V CA -0.380 61.726 62.300 -0.323 0.000 0.900 371 V CB 1.151 32.829 31.823 -0.242 0.000 0.983 371 V HN 0.673 nan 8.190 nan 0.000 0.459 372 R N 2.392 122.531 120.500 -0.602 0.000 2.867 372 R HA 0.570 4.910 4.340 0.001 0.000 0.268 372 R C -1.541 174.505 176.300 -0.423 0.000 1.014 372 R CA -0.905 54.886 56.100 -0.515 0.000 0.946 372 R CB 2.018 32.001 30.300 -0.529 0.000 1.208 372 R HN 0.557 nan 8.270 nan 0.000 0.477 373 Y N 0.636 120.901 120.300 -0.057 0.000 2.309 373 Y HA 0.311 4.861 4.550 0.001 0.000 0.327 373 Y C 0.849 176.884 175.900 0.226 0.000 1.172 373 Y CA -0.135 58.015 58.100 0.083 0.000 1.280 373 Y CB 0.927 39.454 38.460 0.112 0.000 1.234 373 Y HN 0.629 nan 8.280 nan 0.000 0.512 374 A N 2.949 126.058 122.820 0.482 0.000 2.346 374 A HA 0.383 4.703 4.320 0.001 0.000 0.252 374 A C -1.104 176.725 177.584 0.408 0.000 1.089 374 A CA -0.401 51.868 52.037 0.387 0.000 0.797 374 A CB 0.064 19.222 19.000 0.262 0.000 1.047 374 A HN 0.585 nan 8.150 nan 0.000 0.494 375 Y N 0.058 120.403 120.300 0.073 0.000 2.320 375 Y HA 0.518 5.069 4.550 0.001 0.000 0.324 375 Y C 1.216 177.098 175.900 -0.028 0.000 1.190 375 Y CA -0.612 57.496 58.100 0.014 0.000 1.215 375 Y CB 1.196 39.628 38.460 -0.046 0.000 1.221 375 Y HN 0.781 nan 8.280 nan 0.000 0.486 376 T N 0.751 115.379 114.554 0.123 0.000 2.916 376 T HA 0.886 5.237 4.350 0.001 0.000 0.292 376 T C -1.068 173.607 174.700 -0.042 0.000 1.055 376 T CA -0.763 61.317 62.100 -0.032 0.000 1.009 376 T CB 1.856 70.731 68.868 0.013 0.000 1.118 376 T HN 0.272 nan 8.240 nan 0.000 0.497 377 L N 1.635 122.772 121.223 -0.142 0.000 2.409 377 L HA 0.714 5.055 4.340 0.001 0.000 0.255 377 L C -0.578 176.244 176.870 -0.080 0.000 1.027 377 L CA -0.815 54.006 54.840 -0.032 0.000 0.834 377 L CB 2.243 44.325 42.059 0.038 0.000 1.426 377 L HN 1.051 nan 8.230 nan 0.000 0.411 378 N N 0.223 118.946 118.700 0.038 0.000 2.591 378 N HA 0.461 5.202 4.740 0.001 0.000 0.263 378 N C -1.878 173.665 175.510 0.055 0.000 1.308 378 N CA -0.709 52.395 53.050 0.090 0.000 0.837 378 N CB 2.953 41.554 38.487 0.190 0.000 1.548 378 N HN 0.710 nan 8.380 nan 0.000 0.493 379 N N -0.444 118.290 118.700 0.056 0.000 2.405 379 N HA 0.190 4.930 4.740 0.001 0.000 0.274 379 N C -1.235 174.307 175.510 0.053 0.000 1.170 379 N CA -0.258 52.803 53.050 0.018 0.000 0.848 379 N CB 2.160 40.603 38.487 -0.073 0.000 1.629 379 N HN 0.512 nan 8.380 nan 0.000 0.481 380 T N 1.357 115.951 114.554 0.065 0.000 2.937 380 T HA 0.176 4.526 4.350 0.001 0.000 0.316 380 T C 1.192 175.962 174.700 0.117 0.000 1.079 380 T CA 0.178 62.302 62.100 0.040 0.000 1.131 380 T CB 1.225 70.016 68.868 -0.128 0.000 1.000 380 T HN 0.630 nan 8.240 nan 0.000 0.549 381 A N 2.428 125.276 122.820 0.047 0.000 1.909 381 A HA 0.584 4.905 4.320 0.001 0.000 0.209 381 A C 0.512 178.138 177.584 0.070 0.000 1.247 381 A CA 0.272 52.337 52.037 0.045 0.000 0.660 381 A CB 0.157 19.146 19.000 -0.019 0.000 0.910 381 A HN 0.672 nan 8.150 nan 0.000 0.465 382 L N -1.386 119.829 121.223 -0.012 0.000 2.549 382 L HA 0.643 4.983 4.340 0.001 0.000 0.259 382 L C -1.655 175.194 176.870 -0.036 0.000 0.934 382 L CA -0.649 54.163 54.840 -0.047 0.000 0.865 382 L CB 2.005 44.069 42.059 0.009 0.000 1.352 382 L HN 0.279 nan 8.230 nan 0.000 0.410 383 A N 1.976 124.748 122.820 -0.080 0.000 2.371 383 A HA 0.836 5.156 4.320 0.001 0.000 0.311 383 A C -0.441 177.145 177.584 0.004 0.000 1.068 383 A CA -0.201 51.859 52.037 0.038 0.000 0.744 383 A CB 1.739 20.782 19.000 0.070 0.000 1.239 383 A HN 0.639 nan 8.150 nan 0.000 0.435 384 T N -0.260 114.356 114.554 0.102 0.000 2.918 384 T HA 0.757 5.108 4.350 0.001 0.000 0.286 384 T C -2.417 172.333 174.700 0.084 0.000 1.026 384 T CA -1.768 60.348 62.100 0.026 0.000 1.031 384 T CB 2.114 71.012 68.868 0.051 0.000 1.046 384 T HN 0.335 nan 8.240 nan 0.000 0.479 385 P HA 0.219 nan 4.420 nan 0.000 0.267 385 P C 1.057 178.176 177.300 -0.302 0.000 1.289 385 P CA -0.301 62.640 63.100 -0.265 0.000 0.866 385 P CB 0.286 31.638 31.700 -0.581 0.000 1.309 386 R N 0.655 120.969 120.500 -0.311 0.000 2.081 386 R HA -0.106 4.235 4.340 0.001 0.000 0.235 386 R C 1.994 178.126 176.300 -0.281 0.000 1.131 386 R CA 1.154 57.062 56.100 -0.319 0.000 0.960 386 R CB -0.910 29.199 30.300 -0.319 0.000 0.856 386 R HN 0.018 nan 8.270 nan 0.000 0.436 387 I N 1.106 121.538 120.570 -0.230 0.000 2.567 387 I HA -0.208 3.963 4.170 0.001 0.000 0.257 387 I C 1.745 177.725 176.117 -0.228 0.000 1.184 387 I CA 1.138 62.315 61.300 -0.204 0.000 1.451 387 I CB 0.043 37.942 38.000 -0.168 0.000 1.089 387 I HN 0.260 nan 8.210 nan 0.000 0.441 388 L N -0.213 120.864 121.223 -0.243 0.000 2.141 388 L HA -0.157 4.184 4.340 0.001 0.000 0.209 388 L C 2.629 179.356 176.870 -0.238 0.000 1.094 388 L CA 1.074 55.785 54.840 -0.215 0.000 0.763 388 L CB -0.843 41.112 42.059 -0.174 0.000 0.908 388 L HN 0.295 nan 8.230 nan 0.000 0.437 389 A N -0.306 122.283 122.820 -0.386 0.000 1.933 389 A HA -0.234 4.086 4.320 0.001 0.000 0.218 389 A C 2.214 179.586 177.584 -0.352 0.000 1.175 389 A CA 1.843 53.506 52.037 -0.622 0.000 0.628 389 A CB -0.371 18.019 19.000 -1.017 0.000 0.814 389 A HN 0.318 nan 8.150 nan 0.000 0.444 390 M N -0.892 118.544 119.600 -0.273 0.000 2.236 390 M HA 0.088 4.569 4.480 0.001 0.000 0.266 390 M C 1.951 178.128 176.300 -0.205 0.000 1.070 390 M CA 0.961 56.141 55.300 -0.200 0.000 1.137 390 M CB -0.328 32.179 32.600 -0.156 0.000 1.378 390 M HN 0.352 nan 8.290 nan 0.000 0.426 391 L N -0.693 120.399 121.223 -0.218 0.000 2.027 391 L HA -0.186 4.154 4.340 0.001 0.000 0.206 391 L C 2.226 179.006 176.870 -0.149 0.000 1.074 391 L CA 1.102 55.777 54.840 -0.275 0.000 0.745 391 L CB -0.758 41.240 42.059 -0.101 0.000 0.898 391 L HN 0.262 nan 8.230 nan 0.000 0.433 392 L N -0.393 120.804 121.223 -0.043 0.000 1.990 392 L HA -0.274 4.066 4.340 0.001 0.000 0.213 392 L C 2.596 179.490 176.870 0.040 0.000 1.072 392 L CA 1.640 56.506 54.840 0.043 0.000 0.755 392 L CB -0.595 41.511 42.059 0.079 0.000 0.889 392 L HN 0.312 nan 8.230 nan 0.000 0.432 393 E N -0.468 119.729 120.200 -0.005 0.000 2.107 393 E HA -0.136 4.214 4.350 0.001 0.000 0.191 393 E C 1.963 178.624 176.600 0.101 0.000 0.982 393 E CA 0.730 57.134 56.400 0.008 0.000 0.809 393 E CB -0.101 29.593 29.700 -0.010 0.000 0.756 393 E HN 0.490 nan 8.360 nan 0.000 0.459 394 N N 0.439 119.183 118.700 0.073 0.000 2.270 394 N HA -0.093 4.648 4.740 0.001 0.000 0.181 394 N C 0.853 176.583 175.510 0.366 0.000 1.016 394 N CA 0.966 54.136 53.050 0.200 0.000 0.870 394 N CB 0.025 38.506 38.487 -0.009 0.000 0.979 394 N HN 0.393 nan 8.380 nan 0.000 0.431 395 H N 0.098 119.287 119.070 0.199 0.000 2.528 395 H HA 0.105 4.662 4.556 0.001 0.000 0.282 395 H C 0.140 175.563 175.328 0.159 0.000 1.097 395 H CA -0.520 55.630 56.048 0.171 0.000 1.121 395 H CB 0.510 30.334 29.762 0.103 0.000 1.590 395 H HN 0.295 nan 8.280 nan 0.000 0.553 396 Q N 1.529 121.487 119.800 0.264 0.000 2.337 396 Q HA 0.197 4.538 4.340 0.001 0.000 0.270 396 Q C -0.657 175.468 176.000 0.209 0.000 1.002 396 Q CA 0.134 56.042 55.803 0.175 0.000 0.888 396 Q CB 1.287 30.070 28.738 0.075 0.000 1.222 396 Q HN 0.349 nan 8.270 nan 0.000 0.400 397 L N 1.727 122.978 121.223 0.046 0.000 2.440 397 L HA 0.173 4.514 4.340 0.001 0.000 0.262 397 L C 1.580 178.123 176.870 -0.545 0.000 1.072 397 L CA -0.701 54.077 54.840 -0.104 0.000 0.798 397 L CB 0.777 42.800 42.059 -0.060 0.000 1.307 397 L HN 0.838 nan 8.230 nan 0.000 0.475 398 Q N 0.462 119.769 119.800 -0.821 0.000 2.167 398 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 398 Q C 0.787 176.465 176.000 -0.536 0.000 0.970 398 Q CA 1.605 56.700 55.803 -1.180 0.000 0.855 398 Q CB 0.133 28.450 28.738 -0.702 0.000 0.911 398 Q HN 0.759 nan 8.270 nan 0.000 0.438 399 D N -1.498 118.714 120.400 -0.313 0.000 2.325 399 D HA 0.071 4.711 4.640 0.001 0.000 0.234 399 D C 0.979 177.187 176.300 -0.153 0.000 1.122 399 D CA 0.700 54.590 54.000 -0.184 0.000 0.850 399 D CB -0.072 40.652 40.800 -0.127 0.000 0.921 399 D HN 0.447 nan 8.370 nan 0.000 0.513 400 G N 0.366 109.063 108.800 -0.173 0.000 2.184 400 G HA2 -0.370 3.590 3.960 0.001 0.000 0.264 400 G HA3 -0.370 3.590 3.960 0.001 0.000 0.264 400 G C 0.584 175.438 174.900 -0.077 0.000 0.975 400 G CA 0.268 45.300 45.100 -0.114 0.000 0.642 400 G HN 0.509 nan 8.290 nan 0.000 0.536 401 R N -0.877 119.588 120.500 -0.058 0.000 2.652 401 R HA 0.605 4.946 4.340 0.001 0.000 0.271 401 R C -0.224 176.142 176.300 0.109 0.000 1.129 401 R CA -0.102 56.019 56.100 0.033 0.000 1.200 401 R CB 0.915 31.227 30.300 0.021 0.000 1.146 401 R HN 0.120 nan 8.270 nan 0.000 0.581 402 V N 1.616 121.649 119.914 0.198 0.000 2.525 402 V HA 0.279 4.399 4.120 0.001 0.000 0.299 402 V C -0.161 175.980 176.094 0.079 0.000 1.034 402 V CA -0.784 61.620 62.300 0.174 0.000 0.863 402 V CB 1.552 33.516 31.823 0.235 0.000 0.999 402 V HN 0.640 nan 8.190 nan 0.000 0.423 403 R N 2.844 123.387 120.500 0.072 0.000 2.679 403 R HA 0.426 4.767 4.340 0.001 0.000 0.268 403 R C -0.796 175.467 176.300 -0.061 0.000 1.044 403 R CA -0.095 56.001 56.100 -0.006 0.000 1.105 403 R CB 0.921 31.206 30.300 -0.025 0.000 0.989 403 R HN 0.525 nan 8.270 nan 0.000 0.447 404 V N 6.817 126.654 119.914 -0.129 0.000 2.427 404 V HA 0.325 4.445 4.120 0.001 0.000 0.286 404 V C -1.889 174.130 176.094 -0.125 0.000 1.034 404 V CA -1.832 60.373 62.300 -0.159 0.000 0.893 404 V CB 1.470 33.172 31.823 -0.203 0.000 0.982 404 V HN 0.866 nan 8.190 nan 0.000 0.452 405 P HA 0.133 nan 4.420 nan 0.000 0.271 405 P C 0.424 177.681 177.300 -0.071 0.000 1.218 405 P CA -0.255 62.764 63.100 -0.135 0.000 0.780 405 P CB 0.765 32.420 31.700 -0.075 0.000 0.901 406 Q N 2.154 121.923 119.800 -0.052 0.000 2.156 406 Q HA -0.231 4.109 4.340 0.001 0.000 0.211 406 Q C 2.007 178.025 176.000 0.030 0.000 0.995 406 Q CA 2.557 58.355 55.803 -0.007 0.000 0.877 406 Q CB -1.384 27.358 28.738 0.006 0.000 0.920 406 Q HN 0.655 nan 8.270 nan 0.000 0.416 407 A N -0.035 122.804 122.820 0.032 0.000 2.067 407 A HA -0.064 4.257 4.320 0.001 0.000 0.219 407 A C 2.023 179.659 177.584 0.086 0.000 1.158 407 A CA 0.831 52.930 52.037 0.102 0.000 0.661 407 A CB -0.281 18.807 19.000 0.146 0.000 0.801 407 A HN 0.276 nan 8.150 nan 0.000 0.452 408 L N -0.850 120.350 121.223 -0.038 0.000 2.529 408 L HA 0.179 4.520 4.340 0.001 0.000 0.223 408 L C 1.926 178.880 176.870 0.141 0.000 1.113 408 L CA 0.252 55.108 54.840 0.027 0.000 0.861 408 L CB -0.128 41.891 42.059 -0.067 0.000 1.012 408 L HN 0.328 nan 8.230 nan 0.000 0.461 409 I N 0.417 121.034 120.570 0.078 0.000 2.163 409 I HA -0.226 3.945 4.170 0.001 0.000 0.243 409 I C -0.392 175.761 176.117 0.060 0.000 1.085 409 I CA 1.406 62.733 61.300 0.046 0.000 1.347 409 I CB -1.268 36.739 38.000 0.012 0.000 1.044 409 I HN 0.216 nan 8.210 nan 0.000 0.408 410 P HA -0.183 nan 4.420 nan 0.000 0.218 410 P C 1.168 178.412 177.300 -0.093 0.000 1.148 410 P CA 1.570 64.644 63.100 -0.042 0.000 0.822 410 P CB -0.110 31.529 31.700 -0.101 0.000 0.784 411 Y N -2.570 117.757 120.300 0.044 0.000 2.475 411 Y HA 0.050 4.600 4.550 0.001 0.000 0.289 411 Y C 2.284 178.203 175.900 0.033 0.000 1.121 411 Y CA 0.757 58.889 58.100 0.052 0.000 1.257 411 Y CB -0.320 38.188 38.460 0.080 0.000 1.026 411 Y HN -0.095 nan 8.280 nan 0.000 0.555 412 M N -2.029 117.655 119.600 0.140 0.000 2.571 412 M HA 0.337 4.818 4.480 0.001 0.000 0.259 412 M C 1.463 177.775 176.300 0.020 0.000 1.205 412 M CA 1.032 56.371 55.300 0.065 0.000 1.138 412 M CB -0.168 32.434 32.600 0.002 0.000 1.329 412 M HN 0.298 nan 8.290 nan 0.000 0.503 413 G N 2.990 111.798 108.800 0.013 0.000 2.132 413 G HA2 -0.248 3.713 3.960 0.001 0.000 0.228 413 G HA3 -0.248 3.713 3.960 0.001 0.000 0.228 413 G C 0.044 174.940 174.900 -0.007 0.000 1.000 413 G CA 0.770 45.870 45.100 -0.000 0.000 0.693 413 G HN 0.539 nan 8.290 nan 0.000 0.515 414 K N -2.251 118.139 120.400 -0.016 0.000 2.772 414 K HA 0.492 4.812 4.320 0.001 0.000 0.292 414 K C -0.034 176.541 176.600 -0.042 0.000 1.049 414 K CA -0.480 55.792 56.287 -0.025 0.000 0.846 414 K CB 0.082 32.567 32.500 -0.025 0.000 1.514 414 K HN 0.037 nan 8.250 nan 0.000 0.373 415 E N 0.195 120.369 120.200 -0.042 0.000 2.511 415 E HA 0.171 4.522 4.350 0.001 0.000 0.209 415 E C -0.465 176.095 176.600 -0.067 0.000 0.986 415 E CA -0.192 56.176 56.400 -0.052 0.000 0.974 415 E CB 1.465 31.145 29.700 -0.034 0.000 1.030 415 E HN 0.256 nan 8.360 nan 0.000 0.490 416 V N 2.224 122.104 119.914 -0.057 0.000 2.733 416 V HA 0.218 4.338 4.120 0.001 0.000 0.306 416 V C -0.384 175.689 176.094 -0.033 0.000 1.084 416 V CA -0.837 61.439 62.300 -0.040 0.000 0.905 416 V CB 2.171 33.993 31.823 -0.002 0.000 1.010 416 V HN 0.144 nan 8.190 nan 0.000 0.424 417 L N 4.234 125.429 121.223 -0.047 0.000 2.513 417 L HA 0.204 4.544 4.340 0.001 0.000 0.272 417 L C 0.813 177.840 176.870 0.261 0.000 1.187 417 L CA 0.145 54.990 54.840 0.008 0.000 0.895 417 L CB 0.055 41.994 42.059 -0.199 0.000 1.147 417 L HN 0.621 nan 8.230 nan 0.000 0.483 418 E N 5.193 125.531 120.200 0.229 0.000 2.360 418 E HA 0.090 4.441 4.350 0.001 0.000 0.269 418 E C -1.992 174.786 176.600 0.296 0.000 1.022 418 E CA -1.667 54.858 56.400 0.209 0.000 0.887 418 E CB 0.473 30.253 29.700 0.134 0.000 0.990 418 E HN 0.336 nan 8.360 nan 0.000 0.426 419 P HA 0.021 nan 4.420 nan 0.000 0.238 419 P C 0.446 177.680 177.300 -0.109 0.000 1.714 419 P CA 0.136 63.158 63.100 -0.130 0.000 0.908 419 P CB -0.254 31.363 31.700 -0.138 0.000 1.893 3261 Q N 1.050 120.882 119.800 0.053 0.000 2.020 3261 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 3261 Q C 2.300 178.327 176.000 0.046 0.000 0.982 3261 Q CA 1.758 57.587 55.803 0.045 0.000 0.838 3261 Q CB -0.011 28.745 28.738 0.029 0.000 0.899 3261 Q HN 0.290 nan 8.270 nan 0.000 0.423 3262 L N 0.642 121.892 121.223 0.046 0.000 1.978 3262 L HA -0.284 4.057 4.340 0.001 0.000 0.218 3262 L C 2.334 179.232 176.870 0.048 0.000 1.075 3262 L CA 2.740 57.604 54.840 0.040 0.000 0.767 3262 L CB -1.157 40.928 42.059 0.042 0.000 0.890 3262 L HN 0.448 nan 8.230 nan 0.000 0.434 3263 H N -0.690 118.381 119.070 0.002 0.000 2.353 3263 H HA -0.195 4.361 4.556 0.001 0.000 0.298 3263 H C 2.186 177.515 175.328 0.002 0.000 1.103 3263 H CA 2.355 58.404 56.048 0.002 0.000 1.293 3263 H CB 0.063 29.826 29.762 0.001 0.000 1.372 3263 H HN 0.383 nan 8.280 nan 0.000 0.501 3264 K N -0.146 120.280 120.400 0.043 0.000 2.103 3264 K HA -0.122 4.198 4.320 0.001 0.000 0.204 3264 K C 2.388 178.957 176.600 -0.052 0.000 1.052 3264 K CA 1.425 57.707 56.287 -0.009 0.000 0.945 3264 K CB 0.006 32.533 32.500 0.046 0.000 0.722 3264 K HN 0.507 nan 8.250 nan 0.000 0.443 3265 Q N 0.722 120.502 119.800 -0.033 0.000 2.135 3265 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 3265 Q C 2.015 177.978 176.000 -0.061 0.000 0.981 3265 Q CA 1.422 57.204 55.803 -0.034 0.000 0.856 3265 Q CB -0.021 28.707 28.738 -0.016 0.000 0.902 3265 Q HN 0.400 nan 8.270 nan 0.000 0.425 3266 Q N -0.107 119.634 119.800 -0.099 0.000 2.230 3266 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 3266 Q C 1.724 177.647 176.000 -0.129 0.000 0.963 3266 Q CA 0.602 56.340 55.803 -0.108 0.000 0.866 3266 Q CB 0.245 28.915 28.738 -0.113 0.000 0.931 3266 Q HN 0.275 nan 8.270 nan 0.000 0.452 3267 E N 0.094 120.186 120.200 -0.180 0.000 2.158 3267 E HA -0.069 4.281 4.350 0.001 0.000 0.191 3267 E C 2.061 178.612 176.600 -0.081 0.000 0.982 3267 E CA 0.584 56.895 56.400 -0.149 0.000 0.823 3267 E CB 0.177 29.769 29.700 -0.180 0.000 0.766 3267 E HN 0.143 nan 8.360 nan 0.000 0.468 3268 V N 1.369 121.243 119.914 -0.067 0.000 2.407 3268 V HA -0.157 3.964 4.120 0.001 0.000 0.245 3268 V C 2.363 178.436 176.094 -0.035 0.000 1.041 3268 V CA 0.946 63.222 62.300 -0.041 0.000 1.040 3268 V CB -0.326 31.479 31.823 -0.030 0.000 0.671 3268 V HN 0.182 nan 8.190 nan 0.000 0.455 3269 I N 0.688 121.234 120.570 -0.039 0.000 2.208 3269 I HA -0.288 3.883 4.170 0.001 0.000 0.245 3269 I C 2.634 178.734 176.117 -0.029 0.000 1.097 3269 I CA 1.670 62.951 61.300 -0.031 0.000 1.363 3269 I CB -0.524 37.458 38.000 -0.030 0.000 1.051 3269 I HN 0.313 nan 8.210 nan 0.000 0.413 3270 A N 0.318 123.115 122.820 -0.037 0.000 1.930 3270 A HA -0.203 4.117 4.320 0.001 0.000 0.217 3270 A C 1.957 179.526 177.584 -0.025 0.000 1.175 3270 A CA 1.785 53.804 52.037 -0.031 0.000 0.627 3270 A CB -0.476 18.501 19.000 -0.038 0.000 0.815 3270 A HN 0.368 nan 8.150 nan 0.000 0.443 3271 D N -0.075 120.309 120.400 -0.026 0.000 2.117 3271 D HA -0.112 4.529 4.640 0.001 0.000 0.198 3271 D C 1.861 178.150 176.300 -0.018 0.000 0.982 3271 D CA 1.302 55.290 54.000 -0.020 0.000 0.828 3271 D CB -0.238 40.550 40.800 -0.019 0.000 0.967 3271 D HN 0.470 nan 8.370 nan 0.000 0.464 3272 K N 0.538 120.927 120.400 -0.019 0.000 2.097 3272 K HA -0.072 4.248 4.320 0.001 0.000 0.205 3272 K C 2.279 178.869 176.600 -0.017 0.000 1.050 3272 K CA 0.643 56.920 56.287 -0.017 0.000 0.938 3272 K CB -0.027 32.463 32.500 -0.017 0.000 0.718 3272 K HN 0.149 nan 8.250 nan 0.000 0.442 3273 Q N 0.416 120.206 119.800 -0.016 0.000 2.135 3273 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 3273 Q C 2.102 178.094 176.000 -0.013 0.000 0.981 3273 Q CA 1.600 57.394 55.803 -0.014 0.000 0.856 3273 Q CB -0.116 28.614 28.738 -0.013 0.000 0.902 3273 Q HN 0.365 nan 8.270 nan 0.000 0.425 3274 M N -0.288 119.304 119.600 -0.014 0.000 2.132 3274 M HA -0.175 4.305 4.480 0.001 0.000 0.263 3274 M C 2.244 178.535 176.300 -0.015 0.000 1.065 3274 M CA 1.505 56.798 55.300 -0.012 0.000 1.122 3274 M CB -0.041 32.551 32.600 -0.012 0.000 1.365 3274 M HN 0.129 nan 8.290 nan 0.000 0.411 3275 S N -0.106 115.584 115.700 -0.017 0.000 2.348 3275 S HA -0.139 4.331 4.470 0.001 0.000 0.221 3275 S C 1.740 176.325 174.600 -0.025 0.000 1.033 3275 S CA 1.768 59.956 58.200 -0.019 0.000 1.010 3275 S CB -0.585 62.604 63.200 -0.019 0.000 0.891 3275 S HN 0.450 nan 8.310 nan 0.000 0.442 3276 V N 2.067 121.966 119.914 -0.025 0.000 2.392 3276 V HA -0.183 3.937 4.120 0.001 0.000 0.249 3276 V C 2.560 178.635 176.094 -0.031 0.000 1.059 3276 V CA 2.333 64.615 62.300 -0.031 0.000 1.051 3276 V CB -0.734 31.075 31.823 -0.025 0.000 0.658 3276 V HN 0.544 nan 8.190 nan 0.000 0.455 3277 K N -0.050 120.338 120.400 -0.020 0.000 2.103 3277 K HA -0.156 4.165 4.320 0.001 0.000 0.204 3277 K C 2.129 178.719 176.600 -0.018 0.000 1.052 3277 K CA 1.339 57.618 56.287 -0.014 0.000 0.945 3277 K CB -0.103 32.393 32.500 -0.006 0.000 0.722 3277 K HN 0.542 nan 8.250 nan 0.000 0.443 3278 E N 0.622 120.810 120.200 -0.020 0.000 2.085 3278 E HA -0.211 4.140 4.350 0.001 0.000 0.194 3278 E C 1.573 178.152 176.600 -0.035 0.000 0.994 3278 E CA 1.442 57.829 56.400 -0.022 0.000 0.801 3278 E CB -0.055 29.633 29.700 -0.020 0.000 0.743 3278 E HN 0.374 nan 8.360 nan 0.000 0.453 3279 D N 0.628 120.999 120.400 -0.049 0.000 2.097 3279 D HA -0.121 4.520 4.640 0.001 0.000 0.195 3279 D C 2.028 178.261 176.300 -0.110 0.000 0.989 3279 D CA 0.885 54.840 54.000 -0.074 0.000 0.827 3279 D CB -0.172 40.579 40.800 -0.081 0.000 0.966 3279 D HN 0.149 nan 8.370 nan 0.000 0.456 3280 L N 0.600 121.755 121.223 -0.112 0.000 2.313 3280 L HA -0.077 4.264 4.340 0.001 0.000 0.214 3280 L C 1.587 178.425 176.870 -0.053 0.000 1.119 3280 L CA 0.637 55.380 54.840 -0.162 0.000 0.809 3280 L CB -0.102 41.892 42.059 -0.109 0.000 0.933 3280 L HN -0.110 nan 8.230 nan 0.000 0.449 3281 D N 0.294 120.683 120.400 -0.019 0.000 2.269 3281 D HA -0.114 4.527 4.640 0.001 0.000 0.208 3281 D C 2.069 178.374 176.300 0.008 0.000 0.963 3281 D CA 0.799 54.807 54.000 0.013 0.000 0.864 3281 D CB 0.154 40.958 40.800 0.007 0.000 0.936 3281 D HN 0.252 nan 8.370 nan 0.000 0.505 3282 K N 0.213 120.601 120.400 -0.020 0.000 2.057 3282 K HA -0.086 4.235 4.320 0.001 0.000 0.207 3282 K C 1.927 178.523 176.600 -0.006 0.000 1.049 3282 K CA 1.158 57.432 56.287 -0.021 0.000 0.931 3282 K CB 0.205 32.680 32.500 -0.043 0.000 0.714 3282 K HN 0.135 nan 8.250 nan 0.000 0.440 3283 V N -2.195 117.711 119.914 -0.012 0.000 3.660 3283 V HA 0.093 4.213 4.120 0.001 0.000 0.276 3283 V C 1.722 177.938 176.094 0.204 0.000 1.317 3283 V CA 0.428 62.755 62.300 0.045 0.000 1.097 3283 V CB 0.221 32.010 31.823 -0.056 0.000 0.863 3283 V HN 0.176 nan 8.190 nan 0.000 0.438 3284 E N 1.679 122.006 120.200 0.211 0.000 2.072 3284 E HA -0.086 4.264 4.350 0.001 0.000 0.190 3284 E C -0.301 176.355 176.600 0.093 0.000 0.982 3284 E CA 1.443 57.976 56.400 0.222 0.000 0.803 3284 E CB -0.687 29.130 29.700 0.195 0.000 0.755 3284 E HN 0.547 nan 8.360 nan 0.000 0.453 3285 P HA -0.143 nan 4.420 nan 0.000 0.216 3285 P C 0.963 178.274 177.300 0.018 0.000 1.150 3285 P CA 1.899 65.018 63.100 0.031 0.000 0.837 3285 P CB -0.070 31.642 31.700 0.020 0.000 0.786 3286 A N -0.518 122.311 122.820 0.016 0.000 1.933 3286 A HA -0.165 4.156 4.320 0.001 0.000 0.218 3286 A C 2.338 179.912 177.584 -0.016 0.000 1.175 3286 A CA 1.818 53.849 52.037 -0.009 0.000 0.628 3286 A CB -1.743 17.248 19.000 -0.016 0.000 0.814 3286 A HN 0.042 nan 8.150 nan 0.000 0.444 3287 V N 0.116 120.023 119.914 -0.013 0.000 2.332 3287 V HA -0.284 3.837 4.120 0.001 0.000 0.248 3287 V C 2.382 178.492 176.094 0.027 0.000 1.055 3287 V CA 2.197 64.471 62.300 -0.043 0.000 1.038 3287 V CB -0.675 31.083 31.823 -0.109 0.000 0.651 3287 V HN 0.591 nan 8.190 nan 0.000 0.450 3288 I N -0.235 120.348 120.570 0.021 0.000 2.439 3288 I HA -0.151 4.019 4.170 0.001 0.000 0.251 3288 I C 2.527 178.663 176.117 0.033 0.000 1.139 3288 I CA 1.207 62.525 61.300 0.030 0.000 1.438 3288 I CB -0.275 37.736 38.000 0.019 0.000 1.085 3288 I HN 0.309 nan 8.210 nan 0.000 0.427 3289 E N 1.684 121.896 120.200 0.019 0.000 2.047 3289 E HA -0.188 4.162 4.350 0.001 0.000 0.191 3289 E C 2.189 178.803 176.600 0.023 0.000 0.987 3289 E CA 1.772 58.176 56.400 0.007 0.000 0.799 3289 E CB -0.176 29.513 29.700 -0.018 0.000 0.752 3289 E HN 0.388 nan 8.360 nan 0.000 0.449 3290 A N 0.355 123.205 122.820 0.050 0.000 1.930 3290 A HA -0.219 4.102 4.320 0.001 0.000 0.217 3290 A C 2.239 179.937 177.584 0.190 0.000 1.175 3290 A CA 1.749 53.859 52.037 0.120 0.000 0.627 3290 A CB -0.711 18.386 19.000 0.161 0.000 0.815 3290 A HN 0.422 nan 8.150 nan 0.000 0.443 3291 Q N -0.060 119.876 119.800 0.226 0.000 2.084 3291 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 3291 Q C 1.822 177.834 176.000 0.020 0.000 0.978 3291 Q CA 1.791 57.676 55.803 0.136 0.000 0.844 3291 Q CB -0.169 28.659 28.738 0.149 0.000 0.898 3291 Q HN 0.716 nan 8.270 nan 0.000 0.426 3292 N N -0.137 118.580 118.700 0.029 0.000 2.188 3292 N HA -0.125 4.615 4.740 0.001 0.000 0.184 3292 N C 1.651 177.167 175.510 0.011 0.000 1.018 3292 N CA 1.091 54.147 53.050 0.009 0.000 0.858 3292 N CB -0.126 38.368 38.487 0.011 0.000 0.989 3292 N HN 0.312 nan 8.380 nan 0.000 0.426 3293 A N 1.034 123.868 122.820 0.023 0.000 1.933 3293 A HA -0.069 4.251 4.320 0.001 0.000 0.218 3293 A C 2.540 180.144 177.584 0.033 0.000 1.175 3293 A CA 1.111 53.167 52.037 0.033 0.000 0.628 3293 A CB -0.654 18.367 19.000 0.035 0.000 0.814 3293 A HN 0.088 nan 8.150 nan 0.000 0.444 3294 V N 0.212 120.128 119.914 0.004 0.000 2.307 3294 V HA -0.251 3.869 4.120 0.001 0.000 0.245 3294 V C 2.364 178.445 176.094 -0.021 0.000 1.045 3294 V CA 2.282 64.568 62.300 -0.024 0.000 1.024 3294 V CB -0.655 31.063 31.823 -0.174 0.000 0.651 3294 V HN 0.566 nan 8.190 nan 0.000 0.449 3295 K N 0.850 121.219 120.400 -0.052 0.000 2.211 3295 K HA -0.144 4.176 4.320 0.001 0.000 0.204 3295 K C 2.085 178.686 176.600 0.001 0.000 1.047 3295 K CA 1.679 57.943 56.287 -0.039 0.000 0.935 3295 K CB -0.299 32.173 32.500 -0.046 0.000 0.728 3295 K HN 0.582 nan 8.250 nan 0.000 0.452 3296 S N 0.723 116.434 115.700 0.017 0.000 2.575 3296 S HA 0.094 4.564 4.470 0.001 0.000 0.215 3296 S C 0.610 175.245 174.600 0.059 0.000 0.966 3296 S CA -0.561 57.659 58.200 0.033 0.000 0.911 3296 S CB -0.452 62.768 63.200 0.032 0.000 0.780 3296 S HN 0.120 nan 8.310 nan 0.000 0.514 3297 I N 2.623 123.234 120.570 0.070 0.000 2.668 3297 I HA 0.103 4.273 4.170 0.001 0.000 0.285 3297 I C 0.684 176.865 176.117 0.107 0.000 1.168 3297 I CA -0.218 61.147 61.300 0.109 0.000 1.424 3297 I CB 0.222 38.287 38.000 0.109 0.000 1.377 3297 I HN 0.068 nan 8.210 nan 0.000 0.560 3298 K N 5.219 125.707 120.400 0.146 0.000 2.234 3298 K HA 0.017 4.338 4.320 0.001 0.000 0.251 3298 K C 1.091 177.702 176.600 0.018 0.000 1.011 3298 K CA -0.301 56.016 56.287 0.050 0.000 0.889 3298 K CB 0.690 33.170 32.500 -0.034 0.000 1.011 3298 K HN 0.522 nan 8.250 nan 0.000 0.505 3299 K N 1.130 121.513 120.400 -0.028 0.000 2.116 3299 K HA -0.171 4.149 4.320 0.001 0.000 0.203 3299 K C 1.596 178.163 176.600 -0.055 0.000 1.052 3299 K CA 1.363 57.634 56.287 -0.027 0.000 0.952 3299 K CB 0.207 32.691 32.500 -0.028 0.000 0.729 3299 K HN 0.410 nan 8.250 nan 0.000 0.446 3300 Q N -0.790 118.930 119.800 -0.134 0.000 2.226 3300 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 3300 Q C 1.444 177.362 176.000 -0.137 0.000 0.975 3300 Q CA 1.718 57.418 55.803 -0.171 0.000 0.866 3300 Q CB -0.211 28.368 28.738 -0.265 0.000 0.915 3300 Q HN 0.573 nan 8.270 nan 0.000 0.440 3301 H N -0.382 118.692 119.070 0.007 0.000 2.384 3301 H HA 0.094 4.650 4.556 0.001 0.000 0.300 3301 H C 1.777 177.108 175.328 0.005 0.000 1.057 3301 H CA 0.590 56.644 56.048 0.010 0.000 1.370 3301 H CB 0.186 29.957 29.762 0.015 0.000 1.417 3301 H HN 0.071 nan 8.280 nan 0.000 0.527 3302 L N 0.124 121.412 121.223 0.109 0.000 2.129 3302 L HA -0.190 4.151 4.340 0.001 0.000 0.212 3302 L C 2.476 179.350 176.870 0.008 0.000 1.087 3302 L CA 0.683 55.541 54.840 0.029 0.000 0.757 3302 L CB -0.335 41.724 42.059 -0.000 0.000 0.896 3302 L HN 0.204 nan 8.230 nan 0.000 0.434 3303 V N 0.820 120.742 119.914 0.014 0.000 2.323 3303 V HA -0.227 3.893 4.120 0.001 0.000 0.244 3303 V C 2.054 178.167 176.094 0.033 0.000 1.041 3303 V CA 2.012 64.316 62.300 0.007 0.000 1.025 3303 V CB -0.244 31.575 31.823 -0.007 0.000 0.656 3303 V HN 0.656 nan 8.190 nan 0.000 0.451 3304 E N -0.726 119.510 120.200 0.059 0.000 2.485 3304 E HA -0.011 4.339 4.350 0.001 0.000 0.194 3304 E C 1.448 178.106 176.600 0.097 0.000 1.098 3304 E CA 0.521 56.967 56.400 0.077 0.000 0.878 3304 E CB 0.268 30.022 29.700 0.090 0.000 0.939 3304 E HN 0.485 nan 8.360 nan 0.000 0.503 3305 V N 0.448 120.417 119.914 0.092 0.000 2.908 3305 V HA -0.000 4.120 4.120 0.001 0.000 0.240 3305 V C 2.258 178.429 176.094 0.128 0.000 1.117 3305 V CA 0.808 63.189 62.300 0.134 0.000 1.133 3305 V CB 0.046 31.934 31.823 0.108 0.000 0.857 3305 V HN 0.158 nan 8.190 nan 0.000 0.478 3306 R N 0.878 121.395 120.500 0.029 0.000 2.189 3306 R HA -0.128 4.212 4.340 0.001 0.000 0.223 3306 R C 2.389 178.714 176.300 0.041 0.000 1.092 3306 R CA 1.554 57.640 56.100 -0.024 0.000 0.989 3306 R CB -0.264 29.995 30.300 -0.068 0.000 0.876 3306 R HN 0.545 nan 8.270 nan 0.000 0.457 3307 S N 0.357 116.100 115.700 0.072 0.000 2.402 3307 S HA -0.079 4.391 4.470 0.001 0.000 0.229 3307 S C 1.002 175.676 174.600 0.124 0.000 1.021 3307 S CA 0.455 58.701 58.200 0.077 0.000 0.974 3307 S CB -0.243 62.995 63.200 0.062 0.000 0.800 3307 S HN 0.363 nan 8.310 nan 0.000 0.484 3308 M N 1.037 120.755 119.600 0.197 0.000 2.217 3308 M HA 0.462 4.943 4.480 0.001 0.000 0.352 3308 M C 1.109 177.620 176.300 0.351 0.000 1.376 3308 M CA 0.179 55.610 55.300 0.218 0.000 1.107 3308 M CB 0.746 33.453 32.600 0.179 0.000 1.723 3308 M HN 0.188 nan 8.290 nan 0.000 0.461 3309 A N 3.373 126.316 122.820 0.204 0.000 2.072 3309 A HA -0.039 4.282 4.320 0.001 0.000 0.216 3309 A C 1.093 178.698 177.584 0.035 0.000 1.156 3309 A CA 0.970 53.137 52.037 0.217 0.000 0.701 3309 A CB -0.309 18.761 19.000 0.115 0.000 0.816 3309 A HN 0.939 nan 8.150 nan 0.000 0.458 3310 N N -0.605 118.032 118.700 -0.105 0.000 2.497 3310 N HA 0.227 4.968 4.740 0.001 0.000 0.284 3310 N C -3.036 172.287 175.510 -0.311 0.000 1.459 3310 N CA -1.524 51.404 53.050 -0.202 0.000 0.899 3310 N CB -0.867 37.565 38.487 -0.092 0.000 1.316 3310 N HN -0.007 nan 8.380 nan 0.000 0.500 3311 P HA 0.091 nan 4.420 nan 0.000 0.264 3311 P C -2.312 174.797 177.300 -0.319 0.000 1.173 3311 P CA -0.220 62.558 63.100 -0.537 0.000 0.761 3311 P CB -0.215 30.778 31.700 -1.177 0.000 0.794 3312 P HA -0.025 nan 4.420 nan 0.000 0.267 3312 P C 0.518 177.747 177.300 -0.118 0.000 1.200 3312 P CA 0.164 63.192 63.100 -0.120 0.000 0.772 3312 P CB 0.476 32.134 31.700 -0.070 0.000 0.855 3313 A N 3.228 125.998 122.820 -0.084 0.000 1.933 3313 A HA -0.088 4.232 4.320 0.001 0.000 0.218 3313 A C 2.097 179.677 177.584 -0.006 0.000 1.175 3313 A CA 1.922 53.924 52.037 -0.059 0.000 0.628 3313 A CB -1.307 17.667 19.000 -0.043 0.000 0.814 3313 A HN 0.562 nan 8.150 nan 0.000 0.444 3314 A N -0.912 121.909 122.820 0.002 0.000 2.067 3314 A HA 0.175 4.496 4.320 0.001 0.000 0.217 3314 A C 2.079 179.699 177.584 0.059 0.000 1.156 3314 A CA 1.375 53.437 52.037 0.042 0.000 0.683 3314 A CB -0.453 18.557 19.000 0.016 0.000 0.808 3314 A HN 0.315 nan 8.150 nan 0.000 0.455 3315 V N -0.006 119.922 119.914 0.023 0.000 2.488 3315 V HA -0.157 3.963 4.120 0.001 0.000 0.246 3315 V C 2.449 178.612 176.094 0.115 0.000 1.046 3315 V CA 2.101 64.434 62.300 0.055 0.000 1.053 3315 V CB -0.386 31.453 31.823 0.025 0.000 0.679 3315 V HN 0.691 nan 8.190 nan 0.000 0.458 3316 K N -0.015 120.400 120.400 0.025 0.000 2.103 3316 K HA -0.079 4.241 4.320 0.001 0.000 0.204 3316 K C 2.201 178.944 176.600 0.239 0.000 1.052 3316 K CA 1.113 57.439 56.287 0.064 0.000 0.945 3316 K CB -0.123 32.267 32.500 -0.184 0.000 0.722 3316 K HN 0.329 nan 8.250 nan 0.000 0.443 3317 L N 0.903 122.260 121.223 0.223 0.000 1.997 3317 L HA -0.270 4.070 4.340 0.001 0.000 0.216 3317 L C 2.637 179.793 176.870 0.478 0.000 1.074 3317 L CA 1.731 56.799 54.840 0.379 0.000 0.763 3317 L CB -0.796 41.492 42.059 0.382 0.000 0.890 3317 L HN 0.385 nan 8.230 nan 0.000 0.434 3318 A N -0.313 122.735 122.820 0.380 0.000 1.884 3318 A HA -0.257 4.063 4.320 0.001 0.000 0.219 3318 A C 2.117 179.851 177.584 0.250 0.000 1.197 3318 A CA 1.796 54.020 52.037 0.310 0.000 0.637 3318 A CB -0.745 18.361 19.000 0.177 0.000 0.827 3318 A HN 0.345 nan 8.150 nan 0.000 0.450 3319 L N -0.211 121.167 121.223 0.258 0.000 2.056 3319 L HA -0.144 4.197 4.340 0.001 0.000 0.207 3319 L C 2.435 179.404 176.870 0.164 0.000 1.078 3319 L CA 2.146 57.100 54.840 0.191 0.000 0.749 3319 L CB -1.756 40.426 42.059 0.205 0.000 0.901 3319 L HN 0.560 nan 8.230 nan 0.000 0.433 3320 E N -0.250 120.101 120.200 0.252 0.000 2.147 3320 E HA -0.250 4.101 4.350 0.001 0.000 0.199 3320 E C 2.134 178.754 176.600 0.032 0.000 1.005 3320 E CA 1.773 58.307 56.400 0.223 0.000 0.810 3320 E CB -0.106 29.822 29.700 0.380 0.000 0.736 3320 E HN 0.593 nan 8.360 nan 0.000 0.460 3321 S N 0.559 116.175 115.700 -0.140 0.000 2.395 3321 S HA -0.072 4.398 4.470 0.001 0.000 0.225 3321 S C 2.068 176.603 174.600 -0.108 0.000 1.027 3321 S CA 0.440 58.359 58.200 -0.470 0.000 0.965 3321 S CB -0.346 62.539 63.200 -0.526 0.000 0.812 3321 S HN 0.140 nan 8.310 nan 0.000 0.482 3322 I N 2.525 123.121 120.570 0.044 0.000 2.226 3322 I HA -0.139 4.032 4.170 0.001 0.000 0.245 3322 I C 3.049 179.218 176.117 0.087 0.000 1.100 3322 I CA 1.229 62.600 61.300 0.119 0.000 1.374 3322 I CB -0.582 37.493 38.000 0.126 0.000 1.057 3322 I HN 0.420 nan 8.210 nan 0.000 0.413 3323 A N 0.580 123.431 122.820 0.052 0.000 1.877 3323 A HA -0.198 4.123 4.320 0.001 0.000 0.216 3323 A C 2.359 179.982 177.584 0.066 0.000 1.186 3323 A CA 1.422 53.490 52.037 0.051 0.000 0.620 3323 A CB -0.919 18.103 19.000 0.036 0.000 0.822 3323 A HN 0.428 nan 8.150 nan 0.000 0.443 3324 L N -0.429 120.821 121.223 0.045 0.000 1.997 3324 L HA -0.237 4.104 4.340 0.001 0.000 0.216 3324 L C 2.528 179.443 176.870 0.075 0.000 1.074 3324 L CA 1.889 56.757 54.840 0.046 0.000 0.763 3324 L CB -0.274 41.773 42.059 -0.021 0.000 0.890 3324 L HN 0.451 nan 8.230 nan 0.000 0.434 3325 L N -0.971 120.298 121.223 0.076 0.000 2.046 3325 L HA -0.231 4.109 4.340 0.001 0.000 0.208 3325 L C 2.151 179.186 176.870 0.274 0.000 1.077 3325 L CA 0.513 55.447 54.840 0.157 0.000 0.747 3325 L CB -0.492 41.629 42.059 0.102 0.000 0.896 3325 L HN 0.304 nan 8.230 nan 0.000 0.432 3326 L N 0.267 121.624 121.223 0.223 0.000 2.633 3326 L HA 0.004 4.345 4.340 0.001 0.000 0.235 3326 L C 1.630 178.618 176.870 0.198 0.000 1.163 3326 L CA 1.348 56.341 54.840 0.255 0.000 0.859 3326 L CB -2.025 40.145 42.059 0.186 0.000 0.973 3326 L HN 0.515 nan 8.230 nan 0.000 0.451 3327 G N -0.400 108.496 108.800 0.161 0.000 2.176 3327 G HA2 -0.259 3.702 3.960 0.001 0.000 0.252 3327 G HA3 -0.259 3.702 3.960 0.001 0.000 0.252 3327 G C 0.372 175.320 174.900 0.080 0.000 1.024 3327 G CA -0.001 45.164 45.100 0.108 0.000 0.755 3327 G HN 0.340 nan 8.290 nan 0.000 0.507 3328 E N 0.313 120.560 120.200 0.077 0.000 2.418 3328 E HA 0.339 4.690 4.350 0.001 0.000 0.261 3328 E C 1.239 177.869 176.600 0.050 0.000 1.070 3328 E CA 0.620 57.053 56.400 0.054 0.000 0.931 3328 E CB 1.151 30.877 29.700 0.043 0.000 0.954 3328 E HN 0.617 nan 8.360 nan 0.000 0.439 3329 S N -0.047 115.676 115.700 0.039 0.000 2.562 3329 S HA 0.183 4.654 4.470 0.001 0.000 0.246 3329 S C -0.290 174.330 174.600 0.034 0.000 1.056 3329 S CA -0.296 57.926 58.200 0.037 0.000 1.042 3329 S CB -0.341 62.878 63.200 0.031 0.000 0.822 3329 S HN 0.421 nan 8.310 nan 0.000 0.465 3330 T N -2.709 111.867 114.554 0.036 0.000 3.105 3330 T HA 0.423 4.774 4.350 0.001 0.000 0.321 3330 T C -0.115 174.613 174.700 0.047 0.000 1.135 3330 T CA -0.444 61.676 62.100 0.034 0.000 1.053 3330 T CB 1.402 70.281 68.868 0.018 0.000 1.133 3330 T HN -0.095 nan 8.240 nan 0.000 0.463 3331 T N 1.223 115.814 114.554 0.062 0.000 3.092 3331 T HA 0.186 4.536 4.350 0.001 0.000 0.258 3331 T C 0.264 175.029 174.700 0.110 0.000 1.031 3331 T CA -0.215 61.939 62.100 0.091 0.000 0.925 3331 T CB -0.427 68.499 68.868 0.097 0.000 1.036 3331 T HN 0.770 nan 8.240 nan 0.000 0.544 3332 D N 0.880 121.329 120.400 0.082 0.000 2.472 3332 D HA -0.091 4.549 4.640 0.001 0.000 0.248 3332 D C 0.997 177.363 176.300 0.110 0.000 1.174 3332 D CA -0.217 53.841 54.000 0.096 0.000 0.883 3332 D CB 0.262 41.091 40.800 0.049 0.000 1.149 3332 D HN 0.379 nan 8.370 nan 0.000 0.488 3333 W N 5.542 126.851 121.300 0.015 0.000 2.333 3333 W HA -0.212 4.448 4.660 0.001 0.000 0.316 3333 W C 1.277 177.796 176.519 0.000 0.000 1.215 3333 W CA 0.988 58.340 57.345 0.012 0.000 1.278 3333 W CB -0.073 29.394 29.460 0.013 0.000 1.154 3333 W HN 0.448 nan 8.180 nan 0.000 0.486 3334 K N 0.097 120.435 120.400 -0.104 0.000 2.089 3334 K HA -0.278 4.042 4.320 0.001 0.000 0.210 3334 K C 2.212 178.643 176.600 -0.282 0.000 1.048 3334 K CA 2.292 58.450 56.287 -0.214 0.000 0.926 3334 K CB -0.461 32.039 32.500 0.000 0.000 0.714 3334 K HN 0.344 nan 8.250 nan 0.000 0.448 3335 Q N 0.120 119.817 119.800 -0.172 0.000 2.167 3335 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 3335 Q C 2.209 178.085 176.000 -0.205 0.000 0.970 3335 Q CA 1.368 57.087 55.803 -0.141 0.000 0.855 3335 Q CB -0.001 28.699 28.738 -0.063 0.000 0.911 3335 Q HN 0.546 nan 8.270 nan 0.000 0.438 3336 I N -1.494 118.906 120.570 -0.284 0.000 3.035 3336 I HA -0.014 4.157 4.170 0.001 0.000 0.271 3336 I C 2.163 177.997 176.117 -0.472 0.000 1.190 3336 I CA 0.336 61.461 61.300 -0.291 0.000 1.472 3336 I CB -0.330 37.571 38.000 -0.166 0.000 1.116 3336 I HN -0.022 nan 8.210 nan 0.000 0.443 3337 R N 1.212 121.238 120.500 -0.791 0.000 2.341 3337 R HA -0.001 4.339 4.340 0.001 0.000 0.213 3337 R C 1.505 177.523 176.300 -0.470 0.000 1.082 3337 R CA 1.296 56.895 56.100 -0.835 0.000 1.017 3337 R CB -0.511 29.099 30.300 -1.150 0.000 0.860 3337 R HN 0.307 nan 8.270 nan 0.000 0.473 3338 S N 1.428 116.906 115.700 -0.371 0.000 2.387 3338 S HA 0.025 4.495 4.470 0.001 0.000 0.221 3338 S C 1.822 176.278 174.600 -0.239 0.000 1.041 3338 S CA 0.515 58.562 58.200 -0.255 0.000 0.959 3338 S CB -0.082 63.005 63.200 -0.188 0.000 0.843 3338 S HN 0.512 nan 8.310 nan 0.000 0.488 3339 I N 1.513 121.938 120.570 -0.242 0.000 2.623 3339 I HA -0.116 4.055 4.170 0.001 0.000 0.261 3339 I C 1.615 177.471 176.117 -0.435 0.000 1.204 3339 I CA 1.241 62.406 61.300 -0.226 0.000 1.444 3339 I CB -1.370 36.532 38.000 -0.164 0.000 1.094 3339 I HN 0.318 nan 8.210 nan 0.000 0.451 3340 I N 0.271 120.497 120.570 -0.573 0.000 2.361 3340 I HA -0.214 3.957 4.170 0.001 0.000 0.251 3340 I C 2.048 177.866 176.117 -0.498 0.000 1.133 3340 I CA 1.298 62.084 61.300 -0.856 0.000 1.413 3340 I CB 0.159 37.830 38.000 -0.548 0.000 1.073 3340 I HN 0.232 nan 8.210 nan 0.000 0.424 3341 M N -0.418 119.026 119.600 -0.259 0.000 2.405 3341 M HA 0.159 4.640 4.480 0.001 0.000 0.292 3341 M C 0.057 176.325 176.300 -0.054 0.000 1.111 3341 M CA -0.199 55.032 55.300 -0.115 0.000 0.979 3341 M CB 0.392 32.934 32.600 -0.097 0.000 1.426 3341 M HN -0.079 nan 8.290 nan 0.000 0.509 3342 R N 1.857 122.329 120.500 -0.047 0.000 2.523 3342 R HA -0.068 4.272 4.340 0.001 0.000 0.281 3342 R C 0.788 177.121 176.300 0.054 0.000 0.969 3342 R CA 0.207 56.315 56.100 0.013 0.000 1.093 3342 R CB 0.406 30.724 30.300 0.031 0.000 0.917 3342 R HN 0.221 nan 8.270 nan 0.000 0.408 3343 E N 2.102 122.319 120.200 0.029 0.000 2.219 3343 E HA -0.216 4.134 4.350 0.001 0.000 0.198 3343 E C 1.216 177.837 176.600 0.035 0.000 0.998 3343 E CA 1.527 57.943 56.400 0.027 0.000 0.818 3343 E CB -0.041 29.666 29.700 0.010 0.000 0.741 3343 E HN 0.604 nan 8.360 nan 0.000 0.477 3344 N N -0.284 118.444 118.700 0.048 0.000 2.236 3344 N HA -0.069 4.671 4.740 0.001 0.000 0.196 3344 N C 1.419 176.960 175.510 0.051 0.000 1.114 3344 N CA -0.172 52.898 53.050 0.034 0.000 0.859 3344 N CB -0.504 37.997 38.487 0.025 0.000 0.982 3344 N HN 0.036 nan 8.380 nan 0.000 0.493 3345 F N 2.618 122.528 119.950 -0.067 0.000 2.026 3345 F HA -0.127 4.400 4.527 0.001 0.000 0.296 3345 F C 1.584 177.305 175.800 -0.131 0.000 1.133 3345 F CA 1.469 59.411 58.000 -0.097 0.000 1.188 3345 F CB -0.451 38.483 39.000 -0.110 0.000 0.968 3345 F HN -0.055 nan 8.300 nan 0.000 0.476 3346 I N 0.555 120.828 120.570 -0.495 0.000 2.163 3346 I HA -0.181 3.990 4.170 0.001 0.000 0.243 3346 I C -0.645 175.248 176.117 -0.372 0.000 1.085 3346 I CA 1.292 62.239 61.300 -0.587 0.000 1.347 3346 I CB -3.053 34.791 38.000 -0.260 0.000 1.044 3346 I HN 0.106 nan 8.210 nan 0.000 0.408 3347 P HA -0.147 nan 4.420 nan 0.000 0.217 3347 P C 1.675 178.910 177.300 -0.108 0.000 1.148 3347 P CA 2.318 65.348 63.100 -0.116 0.000 0.828 3347 P CB -0.386 31.278 31.700 -0.061 0.000 0.783 3348 T N -3.751 110.720 114.554 -0.138 0.000 2.937 3348 T HA 0.039 4.390 4.350 0.001 0.000 0.260 3348 T C 1.882 176.535 174.700 -0.079 0.000 1.051 3348 T CA 0.438 62.501 62.100 -0.062 0.000 1.141 3348 T CB -0.975 67.887 68.868 -0.010 0.000 0.879 3348 T HN -0.045 nan 8.240 nan 0.000 0.459 3349 I N 1.399 121.749 120.570 -0.366 0.000 2.163 3349 I HA -0.143 4.028 4.170 0.001 0.000 0.243 3349 I C 2.639 178.657 176.117 -0.165 0.000 1.085 3349 I CA 1.166 62.149 61.300 -0.528 0.000 1.347 3349 I CB -0.621 36.715 38.000 -1.107 0.000 1.044 3349 I HN 0.170 nan 8.210 nan 0.000 0.408 3350 V N 1.321 121.134 119.914 -0.167 0.000 2.261 3350 V HA -0.269 3.852 4.120 0.001 0.000 0.246 3350 V C 2.045 178.174 176.094 0.057 0.000 1.047 3350 V CA 1.885 64.163 62.300 -0.037 0.000 1.015 3350 V CB -0.815 30.968 31.823 -0.067 0.000 0.642 3350 V HN 0.443 nan 8.190 nan 0.000 0.446 3351 N N -0.686 118.038 118.700 0.039 0.000 2.453 3351 N HA -0.041 4.699 4.740 0.001 0.000 0.183 3351 N C 0.553 176.125 175.510 0.102 0.000 1.041 3351 N CA 0.221 53.299 53.050 0.048 0.000 0.900 3351 N CB -0.453 38.043 38.487 0.015 0.000 0.961 3351 N HN 0.492 nan 8.380 nan 0.000 0.443 3352 F N 1.314 121.290 119.950 0.043 0.000 2.642 3352 F HA -0.083 4.445 4.527 0.001 0.000 0.371 3352 F C 0.808 176.637 175.800 0.049 0.000 1.120 3352 F CA 0.461 58.524 58.000 0.104 0.000 1.331 3352 F CB 0.489 39.673 39.000 0.307 0.000 1.044 3352 F HN -0.236 nan 8.300 nan 0.000 0.594 3353 S N 4.252 119.607 115.700 -0.575 0.000 2.532 3353 S HA 0.648 5.118 4.470 0.001 0.000 0.299 3353 S C 0.364 174.655 174.600 -0.514 0.000 1.105 3353 S CA -0.285 57.695 58.200 -0.367 0.000 1.018 3353 S CB 1.451 64.495 63.200 -0.260 0.000 1.021 3353 S HN 0.930 nan 8.310 nan 0.000 0.483 3354 A N 3.153 125.877 122.820 -0.160 0.000 2.206 3354 A HA 0.125 4.445 4.320 0.001 0.000 0.211 3354 A C 1.573 179.160 177.584 0.005 0.000 1.158 3354 A CA 0.881 52.926 52.037 0.015 0.000 0.761 3354 A CB -0.378 18.682 19.000 0.101 0.000 0.801 3354 A HN 0.905 nan 8.150 nan 0.000 0.473 3355 E N -0.359 119.812 120.200 -0.048 0.000 2.435 3355 E HA -0.072 4.278 4.350 0.001 0.000 0.195 3355 E C 0.922 177.489 176.600 -0.055 0.000 1.029 3355 E CA 0.403 56.798 56.400 -0.008 0.000 0.865 3355 E CB 0.071 29.773 29.700 0.003 0.000 0.833 3355 E HN 0.551 nan 8.360 nan 0.000 0.510 3356 E N 0.176 120.291 120.200 -0.141 0.000 2.419 3356 E HA 0.197 4.547 4.350 0.001 0.000 0.190 3356 E C -0.603 175.933 176.600 -0.107 0.000 1.040 3356 E CA -0.110 56.198 56.400 -0.153 0.000 0.900 3356 E CB 0.369 29.909 29.700 -0.266 0.000 1.054 3356 E HN 0.212 nan 8.360 nan 0.000 0.462 3357 I N 1.413 121.959 120.570 -0.040 0.000 2.353 3357 I HA 0.138 4.309 4.170 0.001 0.000 0.293 3357 I C 0.568 176.703 176.117 0.030 0.000 0.992 3357 I CA -0.708 60.613 61.300 0.036 0.000 1.268 3357 I CB 1.440 39.499 38.000 0.098 0.000 1.387 3357 I HN 0.055 nan 8.210 nan 0.000 0.478 3358 S N 3.826 119.548 115.700 0.036 0.000 2.617 3358 S HA 0.157 4.628 4.470 0.001 0.000 0.259 3358 S C 0.600 175.219 174.600 0.032 0.000 1.301 3358 S CA -0.625 57.592 58.200 0.028 0.000 0.984 3358 S CB 1.108 64.325 63.200 0.029 0.000 0.954 3358 S HN 0.597 nan 8.310 nan 0.000 0.572 3359 D N 0.860 121.275 120.400 0.025 0.000 2.183 3359 D HA 0.019 4.659 4.640 0.001 0.000 0.205 3359 D C 2.238 178.555 176.300 0.028 0.000 0.962 3359 D CA 1.225 55.239 54.000 0.024 0.000 0.849 3359 D CB -0.657 40.154 40.800 0.017 0.000 0.978 3359 D HN 0.662 nan 8.370 nan 0.000 0.488 3360 A N 1.988 124.826 122.820 0.029 0.000 1.892 3360 A HA -0.211 4.110 4.320 0.001 0.000 0.218 3360 A C 2.184 179.794 177.584 0.043 0.000 1.188 3360 A CA 1.341 53.398 52.037 0.033 0.000 0.631 3360 A CB -0.621 18.398 19.000 0.031 0.000 0.822 3360 A HN 0.262 nan 8.150 nan 0.000 0.447 3361 I N -0.579 120.021 120.570 0.049 0.000 2.353 3361 I HA -0.095 4.076 4.170 0.001 0.000 0.248 3361 I C 2.082 178.231 176.117 0.054 0.000 1.119 3361 I CA 1.310 62.645 61.300 0.059 0.000 1.417 3361 I CB -1.087 36.956 38.000 0.071 0.000 1.078 3361 I HN 0.346 nan 8.210 nan 0.000 0.421 3362 R N 0.759 121.288 120.500 0.047 0.000 2.083 3362 R HA -0.171 4.169 4.340 0.001 0.000 0.237 3362 R C 2.167 178.490 176.300 0.039 0.000 1.137 3362 R CA 2.189 58.313 56.100 0.040 0.000 0.951 3362 R CB -0.123 30.198 30.300 0.035 0.000 0.851 3362 R HN 0.557 nan 8.270 nan 0.000 0.434 3363 E N -0.362 119.860 120.200 0.037 0.000 2.216 3363 E HA -0.169 4.181 4.350 0.001 0.000 0.192 3363 E C 1.833 178.458 176.600 0.042 0.000 0.988 3363 E CA 0.682 57.102 56.400 0.033 0.000 0.834 3363 E CB 0.034 29.749 29.700 0.025 0.000 0.772 3363 E HN 0.242 nan 8.360 nan 0.000 0.479 3364 K N 0.860 121.294 120.400 0.057 0.000 2.103 3364 K HA -0.104 4.217 4.320 0.001 0.000 0.204 3364 K C 2.167 178.849 176.600 0.137 0.000 1.052 3364 K CA 0.740 57.076 56.287 0.081 0.000 0.945 3364 K CB 0.026 32.580 32.500 0.091 0.000 0.722 3364 K HN -0.036 nan 8.250 nan 0.000 0.443 3365 M N 1.040 120.709 119.600 0.114 0.000 2.159 3365 M HA -0.137 4.344 4.480 0.001 0.000 0.263 3365 M C 1.494 177.855 176.300 0.102 0.000 1.063 3365 M CA 1.810 57.181 55.300 0.119 0.000 1.110 3365 M CB 0.114 32.722 32.600 0.013 0.000 1.374 3365 M HN -0.048 nan 8.290 nan 0.000 0.411 3366 K N -0.434 120.001 120.400 0.059 0.000 2.062 3366 K HA -0.117 4.203 4.320 0.001 0.000 0.205 3366 K C 2.079 178.691 176.600 0.020 0.000 1.051 3366 K CA 1.353 57.663 56.287 0.039 0.000 0.941 3366 K CB -0.237 32.282 32.500 0.031 0.000 0.719 3366 K HN 0.330 nan 8.250 nan 0.000 0.440 3367 K N 1.071 121.479 120.400 0.014 0.000 2.002 3367 K HA -0.145 4.176 4.320 0.001 0.000 0.209 3367 K C 1.503 178.058 176.600 -0.074 0.000 1.048 3367 K CA 1.989 58.266 56.287 -0.018 0.000 0.930 3367 K CB -0.049 32.444 32.500 -0.011 0.000 0.714 3367 K HN 0.134 nan 8.250 nan 0.000 0.438 3368 N N -1.463 117.166 118.700 -0.119 0.000 2.173 3368 N HA -0.084 4.656 4.740 0.001 0.000 0.184 3368 N C 1.405 176.595 175.510 -0.534 0.000 1.025 3368 N CA 1.405 54.227 53.050 -0.380 0.000 0.852 3368 N CB 0.033 38.158 38.487 -0.604 0.000 0.998 3368 N HN 0.195 nan 8.380 nan 0.000 0.427 3369 Y N -0.522 119.634 120.300 -0.239 0.000 2.506 3369 Y HA 0.239 4.790 4.550 0.001 0.000 0.287 3369 Y C 2.058 177.706 175.900 -0.421 0.000 1.147 3369 Y CA -0.056 57.734 58.100 -0.516 0.000 1.241 3369 Y CB -0.068 37.781 38.460 -1.019 0.000 1.279 3369 Y HN -0.090 nan 8.280 nan 0.000 0.527 3370 M N 0.326 119.895 119.600 -0.051 0.000 2.159 3370 M HA -0.153 4.328 4.480 0.001 0.000 0.263 3370 M C 2.061 178.422 176.300 0.102 0.000 1.063 3370 M CA 1.776 57.146 55.300 0.117 0.000 1.110 3370 M CB -1.569 31.094 32.600 0.104 0.000 1.374 3370 M HN 0.342 nan 8.290 nan 0.000 0.411 3371 S N -0.465 115.255 115.700 0.034 0.000 2.607 3371 S HA -0.001 4.469 4.470 0.001 0.000 0.224 3371 S C 0.684 175.299 174.600 0.024 0.000 0.969 3371 S CA -0.205 58.009 58.200 0.024 0.000 0.927 3371 S CB -0.563 62.633 63.200 -0.006 0.000 0.772 3371 S HN 0.424 nan 8.310 nan 0.000 0.533 3372 N N 1.996 120.724 118.700 0.048 0.000 2.438 3372 N HA 0.323 5.064 4.740 0.001 0.000 0.282 3372 N C -2.304 173.272 175.510 0.110 0.000 1.037 3372 N CA -1.879 51.206 53.050 0.059 0.000 0.942 3372 N CB 1.947 40.465 38.487 0.052 0.000 1.136 3372 N HN -0.067 nan 8.380 nan 0.000 0.481 3373 P HA 0.007 nan 4.420 nan 0.000 0.218 3373 P C 0.784 178.130 177.300 0.077 0.000 1.149 3373 P CA 0.994 64.134 63.100 0.067 0.000 0.817 3373 P CB 0.375 32.098 31.700 0.038 0.000 0.785 3374 S N -2.304 113.447 115.700 0.084 0.000 2.522 3374 S HA -0.073 4.397 4.470 0.001 0.000 0.227 3374 S C 0.624 175.300 174.600 0.127 0.000 0.986 3374 S CA -0.050 58.197 58.200 0.079 0.000 0.929 3374 S CB -0.838 62.398 63.200 0.059 0.000 0.769 3374 S HN 0.162 nan 8.310 nan 0.000 0.529 3375 Y N 4.271 124.611 120.300 0.065 0.000 2.532 3375 Y HA 0.393 4.943 4.550 0.001 0.000 0.337 3375 Y C -0.037 175.921 175.900 0.097 0.000 1.274 3375 Y CA -0.831 57.331 58.100 0.104 0.000 1.817 3375 Y CB -0.862 37.688 38.460 0.150 0.000 1.769 3375 Y HN 0.124 nan 8.280 nan 0.000 0.447 3376 N N 2.350 120.947 118.700 -0.171 0.000 2.367 3376 N HA 0.015 4.756 4.740 0.001 0.000 0.278 3376 N C -0.235 175.226 175.510 -0.082 0.000 1.117 3376 N CA -0.733 52.261 53.050 -0.093 0.000 0.867 3376 N CB 0.316 38.804 38.487 0.002 0.000 1.649 3376 N HN 0.268 nan 8.380 nan 0.000 0.479 3377 Y N 2.373 122.595 120.300 -0.129 0.000 2.128 3377 Y HA -0.061 4.489 4.550 0.001 0.000 0.284 3377 Y C 1.906 177.773 175.900 -0.056 0.000 1.154 3377 Y CA 2.491 60.538 58.100 -0.088 0.000 1.149 3377 Y CB 0.040 38.464 38.460 -0.060 0.000 0.976 3377 Y HN 0.828 nan 8.280 nan 0.000 0.505 3378 E N -0.064 120.084 120.200 -0.086 0.000 2.017 3378 E HA -0.218 4.133 4.350 0.001 0.000 0.193 3378 E C 2.245 178.747 176.600 -0.164 0.000 0.997 3378 E CA 1.931 58.252 56.400 -0.132 0.000 0.804 3378 E CB -0.338 29.356 29.700 -0.011 0.000 0.757 3378 E HN 0.557 nan 8.360 nan 0.000 0.448 3379 I N 0.120 120.629 120.570 -0.101 0.000 2.202 3379 I HA -0.225 3.945 4.170 0.001 0.000 0.242 3379 I C 2.332 178.382 176.117 -0.111 0.000 1.091 3379 I CA 0.611 61.861 61.300 -0.083 0.000 1.368 3379 I CB -0.076 37.902 38.000 -0.036 0.000 1.058 3379 I HN 0.078 nan 8.210 nan 0.000 0.410 3380 V N 0.961 120.796 119.914 -0.132 0.000 2.427 3380 V HA -0.261 3.859 4.120 0.001 0.000 0.248 3380 V C 2.123 178.109 176.094 -0.180 0.000 1.051 3380 V CA 2.094 64.321 62.300 -0.121 0.000 1.048 3380 V CB -0.847 30.916 31.823 -0.099 0.000 0.666 3380 V HN 0.451 nan 8.190 nan 0.000 0.456 3381 N N 0.105 118.604 118.700 -0.336 0.000 2.289 3381 N HA -0.157 4.584 4.740 0.001 0.000 0.184 3381 N C 1.908 177.267 175.510 -0.253 0.000 1.016 3381 N CA 1.117 53.927 53.050 -0.399 0.000 0.872 3381 N CB -0.150 37.836 38.487 -0.836 0.000 0.973 3381 N HN 0.361 nan 8.380 nan 0.000 0.433 3382 R N -0.706 119.674 120.500 -0.200 0.000 2.120 3382 R HA 0.010 4.351 4.340 0.001 0.000 0.234 3382 R C 1.805 178.047 176.300 -0.098 0.000 1.123 3382 R CA 1.355 57.379 56.100 -0.127 0.000 0.975 3382 R CB -0.118 30.124 30.300 -0.097 0.000 0.866 3382 R HN 0.239 nan 8.270 nan 0.000 0.446 3383 A N -0.723 122.040 122.820 -0.094 0.000 2.044 3383 A HA 0.099 4.419 4.320 0.001 0.000 0.213 3383 A C 0.697 178.245 177.584 -0.060 0.000 1.169 3383 A CA 0.403 52.402 52.037 -0.064 0.000 0.724 3383 A CB 0.498 19.469 19.000 -0.049 0.000 0.840 3383 A HN 0.160 nan 8.150 nan 0.000 0.463 3384 S N -1.512 114.138 115.700 -0.083 0.000 2.562 3384 S HA 0.482 4.953 4.470 0.001 0.000 0.274 3384 S C -0.215 174.305 174.600 -0.133 0.000 1.160 3384 S CA -0.612 57.537 58.200 -0.084 0.000 0.933 3384 S CB 0.670 63.856 63.200 -0.024 0.000 1.100 3384 S HN 0.197 nan 8.310 nan 0.000 0.468 3385 L N 3.558 124.648 121.223 -0.221 0.000 2.591 3385 L HA 0.328 4.668 4.340 0.001 0.000 0.228 3385 L C 2.139 178.915 176.870 -0.157 0.000 1.133 3385 L CA 0.708 55.401 54.840 -0.246 0.000 0.880 3385 L CB -0.319 41.477 42.059 -0.439 0.000 1.033 3385 L HN 0.778 nan 8.230 nan 0.000 0.450 3386 A N 0.084 122.852 122.820 -0.088 0.000 1.901 3386 A HA 0.197 4.518 4.320 0.001 0.000 0.210 3386 A C 2.417 180.024 177.584 0.039 0.000 1.208 3386 A CA 0.998 53.045 52.037 0.017 0.000 0.644 3386 A CB -0.317 18.718 19.000 0.057 0.000 0.863 3386 A HN 0.271 nan 8.150 nan 0.000 0.454 3387 A N -0.326 122.511 122.820 0.029 0.000 2.067 3387 A HA 0.285 4.606 4.320 0.001 0.000 0.217 3387 A C 2.207 179.824 177.584 0.056 0.000 1.156 3387 A CA 1.469 53.539 52.037 0.055 0.000 0.683 3387 A CB -1.037 18.000 19.000 0.062 0.000 0.808 3387 A HN 0.614 nan 8.150 nan 0.000 0.455 3388 G N 0.732 109.545 108.800 0.021 0.000 2.459 3388 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 3388 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 3388 G C -0.247 174.861 174.900 0.346 0.000 1.183 3388 G CA 1.265 46.390 45.100 0.043 0.000 0.776 3388 G HN 0.448 nan 8.290 nan 0.000 0.552 3389 P HA -0.121 nan 4.420 nan 0.000 0.215 3389 P C 2.200 179.617 177.300 0.194 0.000 1.157 3389 P CA 1.363 64.595 63.100 0.219 0.000 0.874 3389 P CB -0.116 31.669 31.700 0.142 0.000 0.790 3390 M N -1.455 118.250 119.600 0.175 0.000 2.159 3390 M HA -0.122 4.358 4.480 0.001 0.000 0.263 3390 M C 2.153 178.591 176.300 0.231 0.000 1.063 3390 M CA 1.408 56.831 55.300 0.204 0.000 1.110 3390 M CB -0.859 31.836 32.600 0.160 0.000 1.374 3390 M HN -0.162 nan 8.290 nan 0.000 0.411 3391 V N 0.158 120.158 119.914 0.143 0.000 2.427 3391 V HA -0.254 3.867 4.120 0.001 0.000 0.248 3391 V C 2.191 178.316 176.094 0.052 0.000 1.051 3391 V CA 1.909 64.222 62.300 0.022 0.000 1.048 3391 V CB -0.418 31.316 31.823 -0.149 0.000 0.666 3391 V HN 0.440 nan 8.190 nan 0.000 0.456 3392 K N -1.308 119.160 120.400 0.114 0.000 2.032 3392 K HA -0.272 4.049 4.320 0.001 0.000 0.209 3392 K C 1.932 178.559 176.600 0.045 0.000 1.048 3392 K CA 2.392 58.676 56.287 -0.005 0.000 0.927 3392 K CB -0.456 31.950 32.500 -0.158 0.000 0.712 3392 K HN 0.726 nan 8.250 nan 0.000 0.441 3393 W N 0.922 122.189 121.300 -0.055 0.000 2.379 3393 W HA -0.158 4.502 4.660 0.001 0.000 0.307 3393 W C 1.980 178.457 176.519 -0.070 0.000 1.200 3393 W CA 2.164 59.468 57.345 -0.070 0.000 1.297 3393 W CB -0.452 28.960 29.460 -0.080 0.000 1.140 3393 W HN 0.146 nan 8.180 nan 0.000 0.507 3394 A N 0.525 123.403 122.820 0.097 0.000 1.948 3394 A HA -0.225 4.095 4.320 0.001 0.000 0.220 3394 A C 2.000 179.504 177.584 -0.133 0.000 1.177 3394 A CA 2.187 54.166 52.037 -0.097 0.000 0.636 3394 A CB -1.044 18.061 19.000 0.174 0.000 0.815 3394 A HN 0.445 nan 8.150 nan 0.000 0.449 3395 I N -0.608 119.941 120.570 -0.035 0.000 2.286 3395 I HA -0.216 3.954 4.170 0.001 0.000 0.245 3395 I C 2.953 179.023 176.117 -0.078 0.000 1.104 3395 I CA 0.891 62.189 61.300 -0.003 0.000 1.397 3395 I CB -0.333 37.683 38.000 0.027 0.000 1.072 3395 I HN 0.352 nan 8.210 nan 0.000 0.417 3396 A N 0.214 122.946 122.820 -0.146 0.000 1.902 3396 A HA -0.222 4.098 4.320 0.001 0.000 0.217 3396 A C 2.290 179.772 177.584 -0.171 0.000 1.181 3396 A CA 1.360 53.311 52.037 -0.143 0.000 0.623 3396 A CB -0.423 18.478 19.000 -0.164 0.000 0.818 3396 A HN 0.367 nan 8.150 nan 0.000 0.443 3397 Q N -0.835 118.733 119.800 -0.387 0.000 2.020 3397 Q HA -0.165 4.175 4.340 0.001 0.000 0.202 3397 Q C 2.174 178.116 176.000 -0.098 0.000 0.982 3397 Q CA 1.525 57.122 55.803 -0.343 0.000 0.838 3397 Q CB -0.849 27.451 28.738 -0.730 0.000 0.899 3397 Q HN 0.590 nan 8.270 nan 0.000 0.423 3398 L N 1.871 123.032 121.223 -0.104 0.000 2.013 3398 L HA -0.230 4.111 4.340 0.001 0.000 0.212 3398 L C 1.676 178.552 176.870 0.010 0.000 1.073 3398 L CA 1.855 56.684 54.840 -0.019 0.000 0.753 3398 L CB -0.797 41.261 42.059 -0.002 0.000 0.890 3398 L HN 0.146 nan 8.230 nan 0.000 0.432 3399 N N -1.322 117.380 118.700 0.004 0.000 2.084 3399 N HA -0.251 4.489 4.740 0.001 0.000 0.190 3399 N C 1.838 177.355 175.510 0.012 0.000 1.030 3399 N CA 1.837 54.891 53.050 0.007 0.000 0.849 3399 N CB -0.794 37.694 38.487 0.001 0.000 1.012 3399 N HN 0.499 nan 8.380 nan 0.000 0.423 3400 Y N 1.673 121.938 120.300 -0.059 0.000 2.040 3400 Y HA -0.302 4.248 4.550 0.001 0.000 0.275 3400 Y C 2.415 178.296 175.900 -0.031 0.000 1.171 3400 Y CA 2.310 60.382 58.100 -0.045 0.000 1.123 3400 Y CB -0.616 37.811 38.460 -0.055 0.000 0.963 3400 Y HN 0.123 nan 8.280 nan 0.000 0.493 3401 A N -0.215 122.715 122.820 0.183 0.000 1.958 3401 A HA -0.270 4.051 4.320 0.001 0.000 0.221 3401 A C 1.906 179.503 177.584 0.022 0.000 1.178 3401 A CA 2.299 54.396 52.037 0.100 0.000 0.642 3401 A CB -0.843 18.208 19.000 0.085 0.000 0.816 3401 A HN 0.576 nan 8.150 nan 0.000 0.453 3402 D N -1.541 118.858 120.400 -0.001 0.000 2.194 3402 D HA -0.053 4.588 4.640 0.001 0.000 0.204 3402 D C 1.805 178.072 176.300 -0.056 0.000 0.964 3402 D CA 1.352 55.341 54.000 -0.019 0.000 0.846 3402 D CB -0.191 40.600 40.800 -0.013 0.000 0.962 3402 D HN 0.437 nan 8.370 nan 0.000 0.490 3403 M N 0.320 119.855 119.600 -0.108 0.000 2.099 3403 M HA -0.040 4.441 4.480 0.001 0.000 0.262 3403 M C 1.890 178.092 176.300 -0.163 0.000 1.067 3403 M CA 1.149 56.349 55.300 -0.167 0.000 1.124 3403 M CB -0.431 31.995 32.600 -0.289 0.000 1.353 3403 M HN -0.085 nan 8.290 nan 0.000 0.410 3404 L N -0.178 120.942 121.223 -0.172 0.000 2.010 3404 L HA -0.322 4.019 4.340 0.001 0.000 0.219 3404 L C 2.493 179.332 176.870 -0.051 0.000 1.077 3404 L CA 2.004 56.790 54.840 -0.091 0.000 0.773 3404 L CB -1.001 41.054 42.059 -0.006 0.000 0.892 3404 L HN 0.316 nan 8.230 nan 0.000 0.436 3405 K N 0.315 120.694 120.400 -0.036 0.000 2.032 3405 K HA -0.195 4.125 4.320 0.001 0.000 0.209 3405 K C 2.196 178.778 176.600 -0.030 0.000 1.048 3405 K CA 1.522 57.795 56.287 -0.022 0.000 0.927 3405 K CB -0.178 32.315 32.500 -0.013 0.000 0.712 3405 K HN 0.067 nan 8.250 nan 0.000 0.441 3406 R N -0.491 119.984 120.500 -0.042 0.000 2.120 3406 R HA -0.069 4.271 4.340 0.001 0.000 0.234 3406 R C 2.014 178.290 176.300 -0.040 0.000 1.123 3406 R CA 1.378 57.455 56.100 -0.040 0.000 0.975 3406 R CB -0.153 30.117 30.300 -0.050 0.000 0.866 3406 R HN 0.098 nan 8.270 nan 0.000 0.446 3407 V N 0.279 120.163 119.914 -0.050 0.000 3.354 3407 V HA -0.084 4.036 4.120 0.001 0.000 0.258 3407 V C 1.998 178.072 176.094 -0.033 0.000 1.159 3407 V CA 0.791 63.062 62.300 -0.048 0.000 1.125 3407 V CB 0.081 31.862 31.823 -0.070 0.000 0.774 3407 V HN 0.306 nan 8.190 nan 0.000 0.464 3408 E N 0.687 120.871 120.200 -0.028 0.000 2.086 3408 E HA -0.246 4.105 4.350 0.001 0.000 0.200 3408 E C -0.486 176.105 176.600 -0.015 0.000 1.012 3408 E CA 2.089 58.479 56.400 -0.018 0.000 0.812 3408 E CB -0.634 29.058 29.700 -0.014 0.000 0.743 3408 E HN 0.509 nan 8.360 nan 0.000 0.453 3409 P HA -0.115 nan 4.420 nan 0.000 0.219 3409 P C 1.560 178.852 177.300 -0.013 0.000 1.150 3409 P CA 0.859 63.952 63.100 -0.012 0.000 0.814 3409 P CB -0.058 31.635 31.700 -0.012 0.000 0.787 3410 L N -0.619 120.594 121.223 -0.016 0.000 2.072 3410 L HA -0.082 4.258 4.340 0.001 0.000 0.205 3410 L C 2.516 179.377 176.870 -0.015 0.000 1.079 3410 L CA 1.435 56.265 54.840 -0.016 0.000 0.752 3410 L CB -0.204 41.843 42.059 -0.020 0.000 0.906 3410 L HN -0.111 nan 8.230 nan 0.000 0.436 3411 R N -0.364 120.127 120.500 -0.015 0.000 2.096 3411 R HA -0.148 4.192 4.340 0.001 0.000 0.235 3411 R C 1.904 178.198 176.300 -0.009 0.000 1.127 3411 R CA 1.447 57.540 56.100 -0.012 0.000 0.968 3411 R CB -0.397 29.896 30.300 -0.012 0.000 0.861 3411 R HN 0.446 nan 8.270 nan 0.000 0.440 3412 N N 0.879 119.574 118.700 -0.009 0.000 2.142 3412 N HA -0.179 4.562 4.740 0.001 0.000 0.186 3412 N C 1.669 177.176 175.510 -0.007 0.000 1.023 3412 N CA 1.163 54.209 53.050 -0.007 0.000 0.852 3412 N CB -0.216 38.267 38.487 -0.006 0.000 0.998 3412 N HN 0.382 nan 8.380 nan 0.000 0.424 3413 E N 1.132 121.327 120.200 -0.008 0.000 2.023 3413 E HA -0.144 4.207 4.350 0.001 0.000 0.196 3413 E C 2.021 178.616 176.600 -0.008 0.000 1.003 3413 E CA 0.920 57.316 56.400 -0.008 0.000 0.809 3413 E CB -0.343 29.352 29.700 -0.009 0.000 0.755 3413 E HN 0.214 nan 8.360 nan 0.000 0.449 3414 L N 0.576 121.794 121.223 -0.009 0.000 2.137 3414 L HA -0.280 4.060 4.340 0.001 0.000 0.213 3414 L C 2.828 179.693 176.870 -0.008 0.000 1.085 3414 L CA 1.615 56.449 54.840 -0.010 0.000 0.760 3414 L CB -0.311 41.742 42.059 -0.010 0.000 0.893 3414 L HN 0.340 nan 8.230 nan 0.000 0.434 3415 Q N 0.370 120.166 119.800 -0.006 0.000 2.079 3415 Q HA -0.215 4.126 4.340 0.001 0.000 0.200 3415 Q C 2.024 178.022 176.000 -0.004 0.000 0.974 3415 Q CA 1.803 57.603 55.803 -0.004 0.000 0.840 3415 Q CB 0.039 28.775 28.738 -0.004 0.000 0.898 3415 Q HN 0.335 nan 8.270 nan 0.000 0.430 3416 K N -0.235 120.162 120.400 -0.004 0.000 2.026 3416 K HA -0.066 4.254 4.320 0.001 0.000 0.208 3416 K C 2.115 178.712 176.600 -0.004 0.000 1.048 3416 K CA 1.485 57.770 56.287 -0.003 0.000 0.929 3416 K CB -0.327 32.171 32.500 -0.003 0.000 0.713 3416 K HN 0.164 nan 8.250 nan 0.000 0.439 3417 L N 1.187 122.407 121.223 -0.006 0.000 1.990 3417 L HA -0.260 4.081 4.340 0.001 0.000 0.213 3417 L C 2.331 179.197 176.870 -0.007 0.000 1.072 3417 L CA 1.581 56.416 54.840 -0.007 0.000 0.755 3417 L CB -0.633 41.420 42.059 -0.010 0.000 0.889 3417 L HN 0.283 nan 8.230 nan 0.000 0.432 3418 E N -0.011 120.185 120.200 -0.007 0.000 2.130 3418 E HA -0.249 4.102 4.350 0.001 0.000 0.196 3418 E C 1.699 178.297 176.600 -0.002 0.000 0.998 3418 E CA 1.543 57.939 56.400 -0.006 0.000 0.806 3418 E CB -0.048 29.649 29.700 -0.005 0.000 0.738 3418 E HN 0.510 nan 8.360 nan 0.000 0.459 3419 D N 0.129 120.528 120.400 -0.001 0.000 2.183 3419 D HA -0.083 4.558 4.640 0.001 0.000 0.205 3419 D C 1.427 177.728 176.300 0.001 0.000 0.962 3419 D CA 0.542 54.542 54.000 0.001 0.000 0.849 3419 D CB -0.197 40.603 40.800 0.001 0.000 0.978 3419 D HN 0.064 nan 8.370 nan 0.000 0.488 3420 D N 1.080 121.480 120.400 0.000 0.000 2.116 3420 D HA -0.152 4.488 4.640 0.001 0.000 0.193 3420 D C 2.011 178.312 176.300 0.002 0.000 0.998 3420 D CA 1.453 55.454 54.000 0.001 0.000 0.836 3420 D CB -0.266 40.534 40.800 0.000 0.000 0.951 3420 D HN 0.136 nan 8.370 nan 0.000 0.449 3421 A N 1.085 123.905 122.820 -0.000 0.000 1.902 3421 A HA -0.198 4.123 4.320 0.001 0.000 0.217 3421 A C 2.092 179.678 177.584 0.004 0.000 1.181 3421 A CA 1.381 53.418 52.037 0.000 0.000 0.623 3421 A CB -0.349 18.648 19.000 -0.006 0.000 0.818 3421 A HN 0.072 nan 8.150 nan 0.000 0.443 3422 K N -0.527 119.875 120.400 0.004 0.000 2.097 3422 K HA -0.153 4.168 4.320 0.001 0.000 0.206 3422 K C 1.424 178.029 176.600 0.009 0.000 1.049 3422 K CA 1.483 57.775 56.287 0.007 0.000 0.933 3422 K CB -0.280 32.224 32.500 0.007 0.000 0.717 3422 K HN 0.427 nan 8.250 nan 0.000 0.442 3423 D N 0.633 121.038 120.400 0.007 0.000 2.144 3423 D HA -0.110 4.530 4.640 0.001 0.000 0.200 3423 D C 1.634 177.940 176.300 0.009 0.000 0.978 3423 D CA 0.900 54.904 54.000 0.008 0.000 0.833 3423 D CB -0.140 40.664 40.800 0.006 0.000 0.961 3423 D HN 0.085 nan 8.370 nan 0.000 0.470 3424 N N 0.439 119.144 118.700 0.009 0.000 2.244 3424 N HA -0.143 4.597 4.740 0.001 0.000 0.183 3424 N C 1.674 177.192 175.510 0.013 0.000 1.016 3424 N CA 0.642 53.698 53.050 0.011 0.000 0.866 3424 N CB -0.147 38.347 38.487 0.012 0.000 0.980 3424 N HN 0.150 nan 8.380 nan 0.000 0.430 3425 Q N 0.853 120.661 119.800 0.013 0.000 2.172 3425 Q HA -0.022 4.318 4.340 0.001 0.000 0.200 3425 Q C 1.553 177.561 176.000 0.014 0.000 0.964 3425 Q CA 1.466 57.277 55.803 0.014 0.000 0.855 3425 Q CB -0.026 28.720 28.738 0.014 0.000 0.918 3425 Q HN 0.441 nan 8.270 nan 0.000 0.444 3426 Q N -0.157 119.651 119.800 0.014 0.000 2.245 3426 Q HA 0.009 4.350 4.340 0.001 0.000 0.201 3426 Q C 0.569 176.577 176.000 0.014 0.000 0.955 3426 Q CA 0.410 56.222 55.803 0.015 0.000 0.870 3426 Q CB 0.027 28.774 28.738 0.015 0.000 0.945 3426 Q HN 0.184 nan 8.270 nan 0.000 0.461 3427 K N 0.000 120.408 120.400 0.013 0.000 2.780 3427 K HA 0.000 4.320 4.320 0.001 0.000 0.191 3427 K CA 0.000 56.294 56.287 0.012 0.000 0.838 3427 K CB 0.000 32.507 32.500 0.012 0.000 1.064 3427 K HN 0.000 nan 8.250 nan 0.000 0.543