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 2p1c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPMQMFMQVY DEIQMFLLEE LELKFDMDPN RVRYLRKMMD TTCLGGKYNR DATA SEQUENCE GLTVIDVAES LLSXXXXXXX XXXDGARRKR VLHDACVCGW MIEFLQAHYL DATA SEQUENCE VEDDIMDNSV TRRGKPCWYR HPDVTVQCAI NDGLLLKSWT HMMAMHFFAD DATA SEQUENCE RPFLQDLLCR FNRVDYTTAV GQLYDVTSMF DSNKLDPDVS QPTTTDFAEF DATA SEQUENCE TLSNYKRIVK YKTAYYTYLL PLVMGLIVSE ALPTVDMGVT EELAMLMGEY DATA SEQUENCE FQVQDDVMDC FTPPERLGKV GTDIQDAKCS WLAVTFLAKA SSAQVAEFKA DATA SEQUENCE NYGSGDSEKV ATVRRLYEEA DLQGDYVAYE AAVAEQVKEL IEKLRLCSPG DATA SEQUENCE FAASVETLWG KTYKRQK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.323 55.300 0.039 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 P HA -0.070 nan 4.420 nan 0.000 0.216 2 P C 1.505 178.838 177.300 0.054 0.000 1.153 2 P CA 1.376 64.486 63.100 0.016 0.000 0.848 2 P CB -0.242 31.434 31.700 -0.039 0.000 0.787 3 M N -0.818 118.812 119.600 0.049 0.000 2.296 3 M HA -0.138 4.343 4.480 0.001 0.000 0.265 3 M C 2.061 178.456 176.300 0.157 0.000 1.064 3 M CA 1.679 57.044 55.300 0.108 0.000 1.109 3 M CB -1.033 31.622 32.600 0.092 0.000 1.396 3 M HN -0.191 nan 8.290 nan 0.000 0.430 4 Q N 0.633 120.503 119.800 0.115 0.000 1.990 4 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 4 Q C 2.106 178.180 176.000 0.124 0.000 0.980 4 Q CA 2.341 58.207 55.803 0.105 0.000 0.832 4 Q CB -0.515 28.269 28.738 0.075 0.000 0.897 4 Q HN 0.833 nan 8.270 nan 0.000 0.427 5 M N -1.878 117.801 119.600 0.131 0.000 2.557 5 M HA -0.017 4.464 4.480 0.001 0.000 0.259 5 M C 1.611 178.029 176.300 0.198 0.000 1.086 5 M CA 1.008 56.391 55.300 0.139 0.000 1.096 5 M CB -0.421 32.253 32.600 0.123 0.000 1.424 5 M HN 0.010 nan 8.290 nan 0.000 0.488 6 F N 1.844 121.829 119.950 0.059 0.000 2.259 6 F HA 0.008 4.536 4.527 0.001 0.000 0.298 6 F C 1.930 177.909 175.800 0.298 0.000 1.088 6 F CA 1.318 59.367 58.000 0.083 0.000 1.358 6 F CB -0.038 38.899 39.000 -0.104 0.000 1.040 6 F HN 0.103 nan 8.300 nan 0.000 0.505 7 M N -0.688 119.011 119.600 0.165 0.000 2.447 7 M HA -0.047 4.433 4.480 0.001 0.000 0.264 7 M C 2.002 178.358 176.300 0.092 0.000 1.095 7 M CA 0.928 56.297 55.300 0.115 0.000 1.125 7 M CB -1.169 31.487 32.600 0.094 0.000 1.389 7 M HN 0.154 nan 8.290 nan 0.000 0.459 8 Q N 0.001 119.853 119.800 0.086 0.000 2.079 8 Q HA -0.037 4.303 4.340 0.001 0.000 0.200 8 Q C 2.112 178.122 176.000 0.016 0.000 0.974 8 Q CA 1.248 57.084 55.803 0.054 0.000 0.840 8 Q CB -0.083 28.696 28.738 0.069 0.000 0.898 8 Q HN 0.306 nan 8.270 nan 0.000 0.430 9 V N -0.064 119.861 119.914 0.018 0.000 2.667 9 V HA -0.203 3.918 4.120 0.001 0.000 0.252 9 V C 1.676 177.613 176.094 -0.262 0.000 1.065 9 V CA 1.427 63.679 62.300 -0.080 0.000 1.083 9 V CB -0.613 31.142 31.823 -0.115 0.000 0.692 9 V HN 0.435 nan 8.190 nan 0.000 0.468 10 Y N 1.592 121.608 120.300 -0.474 0.000 2.181 10 Y HA -0.225 4.325 4.550 0.001 0.000 0.288 10 Y C 2.316 177.895 175.900 -0.534 0.000 1.146 10 Y CA 1.861 59.384 58.100 -0.962 0.000 1.164 10 Y CB -0.282 37.524 38.460 -1.090 0.000 0.982 10 Y HN 0.333 nan 8.280 nan 0.000 0.515 11 D N 0.048 120.242 120.400 -0.342 0.000 2.178 11 D HA -0.156 4.485 4.640 0.001 0.000 0.202 11 D C 1.883 178.033 176.300 -0.249 0.000 0.974 11 D CA 1.383 55.207 54.000 -0.292 0.000 0.841 11 D CB -0.084 40.656 40.800 -0.100 0.000 0.953 11 D HN 0.591 nan 8.370 nan 0.000 0.478 12 E N 0.736 120.837 120.200 -0.164 0.000 2.005 12 E HA -0.142 4.209 4.350 0.001 0.000 0.198 12 E C 2.448 179.023 176.600 -0.042 0.000 1.010 12 E CA 0.598 56.981 56.400 -0.028 0.000 0.825 12 E CB -0.117 29.632 29.700 0.081 0.000 0.769 12 E HN 0.235 nan 8.360 nan 0.000 0.456 13 I N 1.099 121.585 120.570 -0.141 0.000 2.185 13 I HA -0.378 3.793 4.170 0.001 0.000 0.246 13 I C 2.847 178.761 176.117 -0.338 0.000 1.088 13 I CA 1.517 62.716 61.300 -0.168 0.000 1.347 13 I CB -0.382 37.351 38.000 -0.445 0.000 1.041 13 I HN 0.243 nan 8.210 nan 0.000 0.415 14 Q N 0.697 120.152 119.800 -0.576 0.000 2.167 14 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 14 Q C 2.318 178.099 176.000 -0.364 0.000 0.970 14 Q CA 1.520 56.972 55.803 -0.584 0.000 0.855 14 Q CB -0.015 28.286 28.738 -0.728 0.000 0.911 14 Q HN 0.530 nan 8.270 nan 0.000 0.438 15 M N -0.288 119.168 119.600 -0.241 0.000 2.064 15 M HA -0.142 4.339 4.480 0.001 0.000 0.260 15 M C 1.921 178.154 176.300 -0.111 0.000 1.073 15 M CA 1.631 56.849 55.300 -0.137 0.000 1.124 15 M CB -0.311 32.251 32.600 -0.064 0.000 1.326 15 M HN 0.366 nan 8.290 nan 0.000 0.410 16 F N 1.456 121.291 119.950 -0.190 0.000 2.065 16 F HA -0.269 4.258 4.527 0.001 0.000 0.298 16 F C 1.677 177.325 175.800 -0.253 0.000 1.112 16 F CA 2.034 59.899 58.000 -0.225 0.000 1.212 16 F CB -0.819 38.027 39.000 -0.257 0.000 0.975 16 F HN 0.167 nan 8.300 nan 0.000 0.476 17 L N -0.122 120.677 121.223 -0.707 0.000 1.976 17 L HA -0.255 4.086 4.340 0.001 0.000 0.209 17 L C 2.681 179.257 176.870 -0.489 0.000 1.071 17 L CA 1.635 56.002 54.840 -0.789 0.000 0.746 17 L CB -1.028 40.544 42.059 -0.810 0.000 0.890 17 L HN 0.232 nan 8.230 nan 0.000 0.432 18 L N -0.479 120.521 121.223 -0.372 0.000 2.042 18 L HA -0.249 4.091 4.340 0.001 0.000 0.210 18 L C 2.578 179.359 176.870 -0.148 0.000 1.076 18 L CA 1.327 56.043 54.840 -0.207 0.000 0.749 18 L CB -0.431 41.522 42.059 -0.177 0.000 0.893 18 L HN 0.325 nan 8.230 nan 0.000 0.432 19 E N 0.038 120.133 120.200 -0.175 0.000 2.051 19 E HA -0.286 4.064 4.350 0.001 0.000 0.192 19 E C 2.111 178.648 176.600 -0.105 0.000 0.991 19 E CA 1.416 57.747 56.400 -0.115 0.000 0.799 19 E CB 0.039 29.680 29.700 -0.099 0.000 0.748 19 E HN 0.373 nan 8.360 nan 0.000 0.449 20 E N 0.309 120.388 120.200 -0.202 0.000 2.085 20 E HA -0.228 4.122 4.350 0.001 0.000 0.194 20 E C 2.064 178.738 176.600 0.125 0.000 0.994 20 E CA 0.997 57.328 56.400 -0.114 0.000 0.801 20 E CB -0.117 29.395 29.700 -0.313 0.000 0.743 20 E HN 0.282 nan 8.360 nan 0.000 0.453 21 L N 0.556 121.835 121.223 0.093 0.000 2.261 21 L HA -0.198 4.143 4.340 0.001 0.000 0.216 21 L C 2.613 179.587 176.870 0.174 0.000 1.114 21 L CA 1.514 56.469 54.840 0.191 0.000 0.777 21 L CB -0.298 41.783 42.059 0.036 0.000 0.910 21 L HN 0.316 nan 8.230 nan 0.000 0.440 22 E N 0.154 120.400 120.200 0.077 0.000 2.166 22 E HA -0.086 4.265 4.350 0.001 0.000 0.192 22 E C 2.217 178.832 176.600 0.026 0.000 0.967 22 E CA 0.276 56.704 56.400 0.045 0.000 0.840 22 E CB 0.179 29.887 29.700 0.013 0.000 0.795 22 E HN 0.463 nan 8.360 nan 0.000 0.470 23 L N 0.182 121.410 121.223 0.007 0.000 2.307 23 L HA 0.082 4.423 4.340 0.001 0.000 0.211 23 L C 1.950 178.778 176.870 -0.070 0.000 1.099 23 L CA 0.780 55.604 54.840 -0.027 0.000 0.816 23 L CB 0.145 42.184 42.059 -0.034 0.000 0.952 23 L HN -0.053 nan 8.230 nan 0.000 0.455 24 K N -1.510 118.827 120.400 -0.105 0.000 2.477 24 K HA 0.232 4.553 4.320 0.001 0.000 0.208 24 K C 0.254 176.489 176.600 -0.610 0.000 1.117 24 K CA 0.038 56.121 56.287 -0.341 0.000 1.039 24 K CB 0.785 33.013 32.500 -0.453 0.000 0.937 24 K HN 0.041 nan 8.250 nan 0.000 0.570 25 F N 1.026 120.959 119.950 -0.028 0.000 2.724 25 F HA 0.141 4.669 4.527 0.001 0.000 0.310 25 F C -0.131 175.662 175.800 -0.011 0.000 1.107 25 F CA -0.674 57.316 58.000 -0.016 0.000 1.218 25 F CB 0.515 39.509 39.000 -0.011 0.000 1.042 25 F HN -0.057 nan 8.300 nan 0.000 0.540 26 D N 1.662 122.111 120.400 0.081 0.000 2.689 26 D HA -0.271 4.370 4.640 0.001 0.000 0.237 26 D C 0.073 176.416 176.300 0.072 0.000 1.148 26 D CA 0.596 54.628 54.000 0.053 0.000 0.656 26 D CB -0.645 40.173 40.800 0.030 0.000 1.050 26 D HN 0.316 nan 8.370 nan 0.000 0.426 27 M N 1.180 120.834 119.600 0.090 0.000 2.233 27 M HA 0.204 4.684 4.480 0.001 0.000 0.355 27 M C -0.147 176.183 176.300 0.050 0.000 1.191 27 M CA -0.729 54.616 55.300 0.075 0.000 1.101 27 M CB 0.715 33.369 32.600 0.089 0.000 1.592 27 M HN 0.128 nan 8.290 nan 0.000 0.461 28 D N 4.827 125.252 120.400 0.041 0.000 2.313 28 D HA 0.199 4.840 4.640 0.001 0.000 0.247 28 D C -2.375 173.948 176.300 0.040 0.000 1.094 28 D CA -1.609 52.411 54.000 0.033 0.000 0.925 28 D CB 0.355 41.170 40.800 0.026 0.000 1.188 28 D HN 0.327 nan 8.370 nan 0.000 0.430 29 P HA -0.183 nan 4.420 nan 0.000 0.216 29 P C 1.073 178.405 177.300 0.055 0.000 1.154 29 P CA 1.167 64.290 63.100 0.038 0.000 0.865 29 P CB 0.191 31.909 31.700 0.029 0.000 0.789 30 N N -0.783 117.949 118.700 0.053 0.000 2.104 30 N HA -0.140 4.601 4.740 0.001 0.000 0.190 30 N C 1.710 177.283 175.510 0.105 0.000 1.024 30 N CA 1.218 54.310 53.050 0.070 0.000 0.853 30 N CB -0.473 38.043 38.487 0.048 0.000 1.008 30 N HN 0.232 nan 8.380 nan 0.000 0.424 31 R N 0.124 120.674 120.500 0.085 0.000 2.153 31 R HA 0.098 4.439 4.340 0.001 0.000 0.218 31 R C 2.029 178.429 176.300 0.167 0.000 1.072 31 R CA 0.314 56.481 56.100 0.111 0.000 0.990 31 R CB -0.103 30.225 30.300 0.047 0.000 0.889 31 R HN 0.031 nan 8.270 nan 0.000 0.452 32 V N 1.824 121.806 119.914 0.113 0.000 2.515 32 V HA -0.232 3.889 4.120 0.001 0.000 0.250 32 V C 2.459 178.611 176.094 0.097 0.000 1.058 32 V CA 1.949 64.305 62.300 0.094 0.000 1.064 32 V CB -0.448 31.404 31.823 0.050 0.000 0.675 32 V HN 0.380 nan 8.190 nan 0.000 0.461 33 R N -0.727 119.838 120.500 0.108 0.000 2.200 33 R HA -0.142 4.198 4.340 0.001 0.000 0.208 33 R C 2.290 178.671 176.300 0.135 0.000 1.033 33 R CA 1.420 57.576 56.100 0.094 0.000 1.000 33 R CB -0.708 29.641 30.300 0.082 0.000 0.906 33 R HN 0.525 nan 8.270 nan 0.000 0.462 34 Y N 1.377 121.726 120.300 0.081 0.000 2.293 34 Y HA 0.014 4.564 4.550 0.001 0.000 0.291 34 Y C 1.662 177.648 175.900 0.144 0.000 1.137 34 Y CA 1.299 59.472 58.100 0.122 0.000 1.202 34 Y CB 0.094 38.626 38.460 0.118 0.000 0.990 34 Y HN 0.007 nan 8.280 nan 0.000 0.537 35 L N -0.028 121.337 121.223 0.238 0.000 2.156 35 L HA -0.113 4.227 4.340 0.001 0.000 0.208 35 L C 2.671 179.569 176.870 0.047 0.000 1.095 35 L CA 1.254 56.217 54.840 0.204 0.000 0.770 35 L CB -0.476 41.785 42.059 0.337 0.000 0.914 35 L HN 0.171 nan 8.230 nan 0.000 0.439 36 R N 0.813 121.313 120.500 0.001 0.000 2.073 36 R HA -0.149 4.192 4.340 0.001 0.000 0.234 36 R C 2.262 178.516 176.300 -0.076 0.000 1.134 36 R CA 1.317 57.383 56.100 -0.057 0.000 0.952 36 R CB 0.030 30.309 30.300 -0.035 0.000 0.850 36 R HN 0.210 nan 8.270 nan 0.000 0.433 37 K N 0.299 120.653 120.400 -0.077 0.000 2.097 37 K HA -0.157 4.164 4.320 0.001 0.000 0.206 37 K C 2.109 178.572 176.600 -0.228 0.000 1.049 37 K CA 1.131 57.368 56.287 -0.083 0.000 0.933 37 K CB -0.277 32.213 32.500 -0.016 0.000 0.717 37 K HN 0.322 nan 8.250 nan 0.000 0.442 38 M N 1.199 120.567 119.600 -0.386 0.000 2.132 38 M HA -0.104 4.377 4.480 0.001 0.000 0.263 38 M C 2.103 178.045 176.300 -0.598 0.000 1.065 38 M CA 1.439 56.253 55.300 -0.809 0.000 1.122 38 M CB -0.334 31.927 32.600 -0.565 0.000 1.365 38 M HN 0.182 nan 8.290 nan 0.000 0.411 39 M N 0.157 119.605 119.600 -0.254 0.000 2.077 39 M HA -0.231 4.250 4.480 0.001 0.000 0.261 39 M C 1.312 177.512 176.300 -0.167 0.000 1.070 39 M CA 2.023 57.218 55.300 -0.176 0.000 1.125 39 M CB -0.431 32.080 32.600 -0.148 0.000 1.339 39 M HN 0.154 nan 8.290 nan 0.000 0.409 40 D N -0.272 120.072 120.400 -0.094 0.000 2.144 40 D HA -0.123 4.518 4.640 0.001 0.000 0.199 40 D C 1.875 178.128 176.300 -0.078 0.000 0.984 40 D CA 1.829 55.815 54.000 -0.024 0.000 0.834 40 D CB -0.436 40.375 40.800 0.018 0.000 0.955 40 D HN 0.406 nan 8.370 nan 0.000 0.465 41 T N -0.078 114.379 114.554 -0.161 0.000 2.821 41 T HA -0.112 4.238 4.350 0.001 0.000 0.267 41 T C 2.100 176.704 174.700 -0.161 0.000 1.046 41 T CA 1.935 63.957 62.100 -0.130 0.000 1.139 41 T CB -0.250 68.512 68.868 -0.177 0.000 0.871 41 T HN 0.341 nan 8.240 nan 0.000 0.454 42 T N -1.430 112.939 114.554 -0.309 0.000 3.044 42 T HA 0.037 4.387 4.350 0.001 0.000 0.255 42 T C 2.154 176.775 174.700 -0.132 0.000 1.073 42 T CA 0.447 62.400 62.100 -0.245 0.000 1.125 42 T CB -0.698 67.931 68.868 -0.398 0.000 0.908 42 T HN 0.409 nan 8.240 nan 0.000 0.480 43 C N 0.695 119.909 119.300 -0.144 0.000 2.558 43 C HA 0.541 5.001 4.460 0.001 0.000 0.288 43 C C 0.987 176.088 174.990 0.184 0.000 1.338 43 C CA -0.695 58.314 59.018 -0.014 0.000 1.760 43 C CB -0.740 26.875 27.740 -0.209 0.000 2.159 43 C HN 0.485 nan 8.230 nan 0.000 0.518 44 L N 0.551 121.814 121.223 0.067 0.000 2.375 44 L HA 0.640 4.980 4.340 0.001 0.000 0.268 44 L C 1.169 178.106 176.870 0.112 0.000 1.058 44 L CA 0.754 55.689 54.840 0.159 0.000 0.803 44 L CB 0.799 42.857 42.059 -0.001 0.000 1.212 44 L HN 0.400 nan 8.230 nan 0.000 0.451 45 G N 0.797 109.655 108.800 0.097 0.000 2.205 45 G HA2 -0.110 3.851 3.960 0.001 0.000 0.180 45 G HA3 -0.110 3.851 3.960 0.001 0.000 0.180 45 G C 0.121 174.951 174.900 -0.118 0.000 1.004 45 G CA -0.339 44.763 45.100 0.004 0.000 0.670 45 G HN 1.043 nan 8.290 nan 0.000 0.496 46 G N -0.834 107.765 108.800 -0.334 0.000 2.932 46 G HA2 0.588 4.549 3.960 0.001 0.000 0.283 46 G HA3 0.588 4.549 3.960 0.001 0.000 0.283 46 G C 0.289 174.657 174.900 -0.886 0.000 1.336 46 G CA -0.348 44.484 45.100 -0.447 0.000 1.056 46 G HN 0.100 nan 8.290 nan 0.000 0.522 47 K N -0.839 119.229 120.400 -0.554 0.000 2.404 47 K HA 0.200 4.521 4.320 0.001 0.000 0.194 47 K C -0.378 176.032 176.600 -0.316 0.000 1.023 47 K CA -0.592 55.448 56.287 -0.411 0.000 1.094 47 K CB -0.667 31.737 32.500 -0.160 0.000 0.841 47 K HN 0.481 nan 8.250 nan 0.000 0.523 48 Y N -0.770 119.511 120.300 -0.032 0.000 3.225 48 Y HA -0.342 4.208 4.550 0.001 0.000 0.211 48 Y C 0.792 176.560 175.900 -0.220 0.000 1.223 48 Y CA 0.102 58.133 58.100 -0.114 0.000 1.284 48 Y CB -2.849 35.527 38.460 -0.139 0.000 1.367 48 Y HN 0.215 nan 8.280 nan 0.000 0.566 49 N N 0.401 119.044 118.700 -0.096 0.000 2.223 49 N HA -0.124 4.617 4.740 0.001 0.000 0.185 49 N C 1.848 177.235 175.510 -0.205 0.000 1.016 49 N CA 1.548 54.506 53.050 -0.153 0.000 0.863 49 N CB -0.084 38.314 38.487 -0.149 0.000 0.983 49 N HN 0.643 nan 8.380 nan 0.000 0.429 50 R N 0.137 120.534 120.500 -0.173 0.000 2.062 50 R HA -0.004 4.337 4.340 0.001 0.000 0.229 50 R C 2.406 178.613 176.300 -0.156 0.000 1.128 50 R CA 1.206 57.204 56.100 -0.169 0.000 0.960 50 R CB -0.567 29.691 30.300 -0.069 0.000 0.855 50 R HN 0.178 nan 8.270 nan 0.000 0.432 51 G N 1.441 110.135 108.800 -0.177 0.000 2.433 51 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 51 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 51 G C 1.466 176.031 174.900 -0.559 0.000 1.186 51 G CA 0.439 45.346 45.100 -0.322 0.000 0.779 51 G HN 0.106 nan 8.290 nan 0.000 0.543 52 L N 0.570 121.387 121.223 -0.677 0.000 2.127 52 L HA -0.117 4.224 4.340 0.001 0.000 0.211 52 L C 3.140 179.821 176.870 -0.315 0.000 1.089 52 L CA 1.463 55.961 54.840 -0.569 0.000 0.757 52 L CB -0.641 41.166 42.059 -0.421 0.000 0.899 52 L HN 0.204 nan 8.230 nan 0.000 0.434 53 T N -0.751 113.655 114.554 -0.247 0.000 2.821 53 T HA -0.134 4.217 4.350 0.001 0.000 0.267 53 T C 2.017 176.641 174.700 -0.126 0.000 1.046 53 T CA 1.139 63.136 62.100 -0.170 0.000 1.139 53 T CB -0.112 68.653 68.868 -0.172 0.000 0.871 53 T HN 0.074 nan 8.240 nan 0.000 0.454 54 V N 1.686 121.524 119.914 -0.126 0.000 2.332 54 V HA -0.168 3.953 4.120 0.001 0.000 0.248 54 V C 2.359 178.415 176.094 -0.063 0.000 1.055 54 V CA 1.537 63.796 62.300 -0.069 0.000 1.038 54 V CB -0.646 31.147 31.823 -0.051 0.000 0.651 54 V HN 0.519 nan 8.190 nan 0.000 0.450 55 I N 0.249 120.756 120.570 -0.105 0.000 2.226 55 I HA -0.249 3.922 4.170 0.001 0.000 0.245 55 I C 2.349 178.435 176.117 -0.053 0.000 1.100 55 I CA 2.122 63.378 61.300 -0.073 0.000 1.374 55 I CB -0.557 37.374 38.000 -0.115 0.000 1.057 55 I HN 0.360 nan 8.210 nan 0.000 0.413 56 D N 0.877 121.232 120.400 -0.076 0.000 2.097 56 D HA -0.149 4.492 4.640 0.001 0.000 0.195 56 D C 2.178 178.464 176.300 -0.023 0.000 0.989 56 D CA 1.211 55.178 54.000 -0.054 0.000 0.827 56 D CB 0.124 40.879 40.800 -0.076 0.000 0.966 56 D HN 0.054 nan 8.370 nan 0.000 0.456 57 V N 0.711 120.617 119.914 -0.013 0.000 2.295 57 V HA -0.221 3.899 4.120 0.001 0.000 0.246 57 V C 2.543 178.674 176.094 0.062 0.000 1.049 57 V CA 1.825 64.156 62.300 0.052 0.000 1.024 57 V CB -1.003 30.880 31.823 0.100 0.000 0.648 57 V HN 0.328 nan 8.190 nan 0.000 0.447 58 A N -0.552 122.284 122.820 0.027 0.000 1.858 58 A HA -0.267 4.053 4.320 0.001 0.000 0.216 58 A C 2.227 179.826 177.584 0.025 0.000 1.190 58 A CA 2.055 54.103 52.037 0.019 0.000 0.617 58 A CB -0.560 18.445 19.000 0.008 0.000 0.827 58 A HN 0.596 nan 8.150 nan 0.000 0.443 59 E N -0.244 119.966 120.200 0.018 0.000 2.051 59 E HA -0.119 4.232 4.350 0.001 0.000 0.192 59 E C 2.173 178.787 176.600 0.023 0.000 0.991 59 E CA 1.315 57.726 56.400 0.019 0.000 0.799 59 E CB -0.122 29.583 29.700 0.008 0.000 0.748 59 E HN 0.561 nan 8.360 nan 0.000 0.449 60 S N 0.310 116.025 115.700 0.025 0.000 2.507 60 S HA -0.046 4.425 4.470 0.001 0.000 0.235 60 S C 1.652 176.283 174.600 0.052 0.000 0.988 60 S CA 0.614 58.834 58.200 0.033 0.000 0.944 60 S CB 0.088 63.306 63.200 0.030 0.000 0.762 60 S HN 0.184 nan 8.310 nan 0.000 0.526 61 L N 0.484 121.740 121.223 0.055 0.000 2.672 61 L HA 0.189 4.530 4.340 0.001 0.000 0.236 61 L C 1.158 178.046 176.870 0.031 0.000 1.092 61 L CA 0.033 54.904 54.840 0.052 0.000 0.887 61 L CB -0.066 42.028 42.059 0.058 0.000 1.168 61 L HN 0.289 nan 8.230 nan 0.000 0.502 62 L N -2.457 118.783 121.223 0.029 0.000 2.700 62 L HA 0.148 4.489 4.340 0.001 0.000 0.240 62 L C 1.031 177.915 176.870 0.024 0.000 1.162 62 L CA 0.385 55.241 54.840 0.027 0.000 0.874 62 L CB -1.691 40.387 42.059 0.031 0.000 1.001 62 L HN -0.078 nan 8.230 nan 0.000 0.447 75 G N 0.275 109.083 108.800 0.012 0.000 3.210 75 G HA2 0.305 4.266 3.960 0.001 0.000 0.220 75 G HA3 0.305 4.266 3.960 0.001 0.000 0.220 75 G C 1.235 176.146 174.900 0.017 0.000 1.200 75 G CA 0.413 45.522 45.100 0.015 0.000 0.834 75 G HN 0.448 nan 8.290 nan 0.000 0.524 76 A N 0.611 123.441 122.820 0.016 0.000 1.935 76 A HA 0.161 4.482 4.320 0.001 0.000 0.214 76 A C 2.204 179.805 177.584 0.029 0.000 1.178 76 A CA 1.134 53.181 52.037 0.016 0.000 0.640 76 A CB -0.269 18.737 19.000 0.011 0.000 0.825 76 A HN 0.335 nan 8.150 nan 0.000 0.447 77 R N -0.106 120.413 120.500 0.032 0.000 2.091 77 R HA -0.166 4.175 4.340 0.001 0.000 0.238 77 R C 2.408 178.738 176.300 0.051 0.000 1.136 77 R CA 1.754 57.880 56.100 0.044 0.000 0.959 77 R CB -0.290 30.033 30.300 0.039 0.000 0.856 77 R HN 0.547 nan 8.270 nan 0.000 0.437 78 R N 0.699 121.224 120.500 0.041 0.000 2.073 78 R HA -0.135 4.206 4.340 0.001 0.000 0.234 78 R C 1.986 178.319 176.300 0.054 0.000 1.134 78 R CA 1.824 57.950 56.100 0.043 0.000 0.952 78 R CB -0.049 30.271 30.300 0.033 0.000 0.850 78 R HN 0.141 nan 8.270 nan 0.000 0.433 79 K N -0.037 120.391 120.400 0.047 0.000 2.097 79 K HA -0.137 4.184 4.320 0.001 0.000 0.205 79 K C 2.289 178.939 176.600 0.082 0.000 1.050 79 K CA 1.020 57.339 56.287 0.053 0.000 0.938 79 K CB -0.123 32.390 32.500 0.022 0.000 0.718 79 K HN 0.168 nan 8.250 nan 0.000 0.442 80 R N 1.004 121.552 120.500 0.080 0.000 2.075 80 R HA -0.139 4.201 4.340 0.001 0.000 0.230 80 R C 2.073 178.469 176.300 0.160 0.000 1.140 80 R CA 1.759 57.928 56.100 0.115 0.000 0.928 80 R CB -0.499 29.861 30.300 0.101 0.000 0.834 80 R HN -0.026 nan 8.270 nan 0.000 0.429 81 V N 2.049 122.042 119.914 0.132 0.000 2.392 81 V HA -0.277 3.844 4.120 0.001 0.000 0.249 81 V C 2.618 178.780 176.094 0.114 0.000 1.059 81 V CA 1.427 63.802 62.300 0.125 0.000 1.051 81 V CB -0.562 31.311 31.823 0.083 0.000 0.658 81 V HN 0.365 nan 8.190 nan 0.000 0.455 82 L N -0.531 120.755 121.223 0.105 0.000 1.994 82 L HA -0.215 4.126 4.340 0.001 0.000 0.208 82 L C 2.513 179.458 176.870 0.125 0.000 1.071 82 L CA 2.460 57.359 54.840 0.099 0.000 0.745 82 L CB -1.385 40.727 42.059 0.090 0.000 0.892 82 L HN 0.525 nan 8.230 nan 0.000 0.431 83 H N 0.029 119.121 119.070 0.036 0.000 2.293 83 H HA -0.189 4.367 4.556 0.001 0.000 0.300 83 H C 1.787 177.117 175.328 0.003 0.000 1.082 83 H CA 1.963 58.006 56.048 -0.009 0.000 1.308 83 H CB 0.330 30.065 29.762 -0.045 0.000 1.375 83 H HN 0.320 nan 8.280 nan 0.000 0.495 84 D N 0.488 120.965 120.400 0.129 0.000 2.133 84 D HA -0.144 4.496 4.640 0.001 0.000 0.195 84 D C 2.190 178.614 176.300 0.207 0.000 0.997 84 D CA 1.205 55.374 54.000 0.281 0.000 0.840 84 D CB -0.548 40.578 40.800 0.543 0.000 0.947 84 D HN 0.475 nan 8.370 nan 0.000 0.452 85 A N 0.221 123.107 122.820 0.111 0.000 1.972 85 A HA -0.187 4.134 4.320 0.001 0.000 0.219 85 A C 2.503 180.125 177.584 0.063 0.000 1.169 85 A CA 1.254 53.328 52.037 0.061 0.000 0.635 85 A CB -0.805 18.216 19.000 0.035 0.000 0.810 85 A HN 0.361 nan 8.150 nan 0.000 0.446 86 C N -1.395 117.933 119.300 0.046 0.000 2.450 86 C HA 0.008 4.469 4.460 0.001 0.000 0.279 86 C C 2.710 177.745 174.990 0.075 0.000 1.335 86 C CA 0.876 59.961 59.018 0.111 0.000 1.749 86 C CB -1.040 26.738 27.740 0.064 0.000 1.963 86 C HN 0.475 nan 8.230 nan 0.000 0.501 87 V N -0.301 119.566 119.914 -0.078 0.000 2.379 87 V HA -0.213 3.908 4.120 0.001 0.000 0.245 87 V C 2.429 178.603 176.094 0.133 0.000 1.044 87 V CA 1.976 64.220 62.300 -0.092 0.000 1.036 87 V CB -0.975 30.602 31.823 -0.410 0.000 0.664 87 V HN 0.627 nan 8.190 nan 0.000 0.453 88 C N 1.191 120.616 119.300 0.210 0.000 2.422 88 C HA -0.040 4.421 4.460 0.001 0.000 0.279 88 C C 2.908 177.974 174.990 0.128 0.000 1.305 88 C CA 0.771 59.876 59.018 0.144 0.000 1.757 88 C CB -1.686 26.087 27.740 0.055 0.000 1.962 88 C HN 0.698 nan 8.230 nan 0.000 0.499 89 G N -0.883 107.992 108.800 0.124 0.000 2.421 89 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 89 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 89 G C 1.324 176.310 174.900 0.143 0.000 1.171 89 G CA 0.472 45.638 45.100 0.110 0.000 0.775 89 G HN 0.686 nan 8.290 nan 0.000 0.543 90 W N 0.332 121.759 121.300 0.213 0.000 2.595 90 W HA 0.252 4.913 4.660 0.001 0.000 0.257 90 W C 2.765 179.342 176.519 0.098 0.000 1.267 90 W CA -0.030 57.384 57.345 0.114 0.000 1.300 90 W CB -0.025 29.322 29.460 -0.189 0.000 1.120 90 W HN 0.122 nan 8.180 nan 0.000 0.618 91 M N -0.482 119.273 119.600 0.257 0.000 2.175 91 M HA -0.164 4.317 4.480 0.001 0.000 0.264 91 M C 1.760 178.320 176.300 0.433 0.000 1.063 91 M CA 1.655 57.073 55.300 0.198 0.000 1.119 91 M CB -0.452 32.096 32.600 -0.087 0.000 1.377 91 M HN -0.003 nan 8.290 nan 0.000 0.415 92 I N -0.694 120.128 120.570 0.420 0.000 2.500 92 I HA -0.166 4.005 4.170 0.001 0.000 0.252 92 I C 2.217 178.571 176.117 0.395 0.000 1.142 92 I CA 0.665 62.220 61.300 0.425 0.000 1.451 92 I CB -0.487 37.707 38.000 0.324 0.000 1.093 92 I HN 0.210 nan 8.210 nan 0.000 0.430 93 E N 0.827 121.290 120.200 0.437 0.000 2.106 93 E HA -0.144 4.207 4.350 0.001 0.000 0.192 93 E C 2.082 179.022 176.600 0.567 0.000 0.984 93 E CA 1.351 58.047 56.400 0.493 0.000 0.806 93 E CB -0.209 29.833 29.700 0.571 0.000 0.750 93 E HN 0.387 nan 8.360 nan 0.000 0.458 94 F N 0.434 120.606 119.950 0.370 0.000 2.259 94 F HA -0.066 4.461 4.527 0.001 0.000 0.298 94 F C 2.187 178.093 175.800 0.177 0.000 1.088 94 F CA 0.275 58.455 58.000 0.300 0.000 1.358 94 F CB -0.399 38.792 39.000 0.318 0.000 1.040 94 F HN 0.031 nan 8.300 nan 0.000 0.505 95 L N 0.177 121.593 121.223 0.321 0.000 2.056 95 L HA -0.172 4.169 4.340 0.001 0.000 0.207 95 L C 2.382 179.088 176.870 -0.274 0.000 1.078 95 L CA 1.734 56.559 54.840 -0.025 0.000 0.749 95 L CB -0.998 41.071 42.059 0.018 0.000 0.901 95 L HN 0.178 nan 8.230 nan 0.000 0.433 96 Q N -0.264 119.574 119.800 0.064 0.000 2.167 96 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 96 Q C 2.065 178.142 176.000 0.128 0.000 0.970 96 Q CA 1.832 57.748 55.803 0.188 0.000 0.855 96 Q CB -0.345 28.598 28.738 0.343 0.000 0.911 96 Q HN 0.541 nan 8.270 nan 0.000 0.438 97 A N -0.333 122.549 122.820 0.103 0.000 1.930 97 A HA -0.201 4.119 4.320 0.001 0.000 0.217 97 A C 1.970 179.559 177.584 0.008 0.000 1.175 97 A CA 1.708 53.764 52.037 0.031 0.000 0.627 97 A CB -1.013 17.944 19.000 -0.071 0.000 0.815 97 A HN 0.722 nan 8.150 nan 0.000 0.443 98 H N -1.722 117.287 119.070 -0.102 0.000 2.326 98 H HA -0.147 4.409 4.556 0.001 0.000 0.301 98 H C 1.723 177.035 175.328 -0.026 0.000 1.081 98 H CA 2.110 58.086 56.048 -0.120 0.000 1.334 98 H CB -0.412 29.221 29.762 -0.214 0.000 1.385 98 H HN 0.456 nan 8.280 nan 0.000 0.504 99 Y N 0.562 120.704 120.300 -0.264 0.000 2.145 99 Y HA -0.142 4.409 4.550 0.001 0.000 0.286 99 Y C 2.739 178.542 175.900 -0.161 0.000 1.145 99 Y CA 1.192 59.105 58.100 -0.312 0.000 1.148 99 Y CB -0.827 37.485 38.460 -0.247 0.000 0.981 99 Y HN 0.209 nan 8.280 nan 0.000 0.507 100 L N -1.316 119.978 121.223 0.118 0.000 2.083 100 L HA -0.193 4.148 4.340 0.001 0.000 0.209 100 L C 2.326 179.247 176.870 0.085 0.000 1.083 100 L CA 0.853 55.758 54.840 0.108 0.000 0.752 100 L CB -0.897 41.239 42.059 0.127 0.000 0.899 100 L HN 0.097 nan 8.230 nan 0.000 0.433 101 V N -0.122 119.824 119.914 0.053 0.000 2.261 101 V HA -0.248 3.873 4.120 0.001 0.000 0.246 101 V C 2.584 178.717 176.094 0.065 0.000 1.047 101 V CA 1.749 64.111 62.300 0.102 0.000 1.015 101 V CB -0.413 31.455 31.823 0.075 0.000 0.642 101 V HN 0.443 nan 8.190 nan 0.000 0.446 102 E N -0.122 120.063 120.200 -0.025 0.000 2.072 102 E HA -0.243 4.107 4.350 0.001 0.000 0.191 102 E C 1.922 178.493 176.600 -0.048 0.000 0.985 102 E CA 1.599 57.966 56.400 -0.055 0.000 0.801 102 E CB -0.531 29.099 29.700 -0.116 0.000 0.750 102 E HN 0.757 nan 8.360 nan 0.000 0.452 103 D N 1.128 121.518 120.400 -0.017 0.000 2.092 103 D HA -0.174 4.467 4.640 0.001 0.000 0.193 103 D C 1.499 177.806 176.300 0.011 0.000 0.994 103 D CA 1.480 55.483 54.000 0.006 0.000 0.828 103 D CB 0.059 40.885 40.800 0.045 0.000 0.963 103 D HN -0.028 nan 8.370 nan 0.000 0.450 104 D N -0.250 120.181 120.400 0.052 0.000 2.149 104 D HA -0.134 4.507 4.640 0.001 0.000 0.198 104 D C 2.276 178.520 176.300 -0.092 0.000 0.990 104 D CA 0.676 54.740 54.000 0.107 0.000 0.839 104 D CB -0.119 40.845 40.800 0.274 0.000 0.948 104 D HN 0.421 nan 8.370 nan 0.000 0.460 105 I N 0.486 120.864 120.570 -0.320 0.000 2.163 105 I HA -0.251 3.920 4.170 0.001 0.000 0.240 105 I C 2.588 178.497 176.117 -0.347 0.000 1.081 105 I CA 0.870 61.750 61.300 -0.701 0.000 1.353 105 I CB -0.269 37.464 38.000 -0.445 0.000 1.054 105 I HN -0.053 nan 8.210 nan 0.000 0.407 106 M N 0.178 119.680 119.600 -0.164 0.000 2.159 106 M HA -0.197 4.284 4.480 0.001 0.000 0.263 106 M C 0.987 177.265 176.300 -0.037 0.000 1.063 106 M CA 1.559 56.813 55.300 -0.076 0.000 1.110 106 M CB -0.390 32.189 32.600 -0.035 0.000 1.374 106 M HN 0.184 nan 8.290 nan 0.000 0.411 107 D N -0.282 120.105 120.400 -0.022 0.000 2.328 107 D HA 0.011 4.651 4.640 0.001 0.000 0.221 107 D C 0.027 176.351 176.300 0.041 0.000 1.072 107 D CA 0.224 54.236 54.000 0.020 0.000 0.850 107 D CB -0.466 40.359 40.800 0.041 0.000 0.922 107 D HN 0.246 nan 8.370 nan 0.000 0.516 108 N N 0.686 119.403 118.700 0.028 0.000 2.705 108 N HA -0.198 4.543 4.740 0.001 0.000 0.255 108 N C -0.949 174.680 175.510 0.197 0.000 1.008 108 N CA 0.259 53.386 53.050 0.129 0.000 0.742 108 N CB -1.114 37.423 38.487 0.084 0.000 0.906 108 N HN -0.106 nan 8.380 nan 0.000 0.541 109 S N -1.152 114.700 115.700 0.252 0.000 2.632 109 S HA 0.457 4.928 4.470 0.001 0.000 0.267 109 S C 1.500 176.218 174.600 0.197 0.000 1.276 109 S CA -0.318 58.004 58.200 0.203 0.000 0.998 109 S CB 1.818 65.127 63.200 0.182 0.000 0.953 109 S HN 0.181 nan 8.310 nan 0.000 0.547 110 V N 0.596 120.565 119.914 0.092 0.000 2.743 110 V HA 0.175 4.296 4.120 0.001 0.000 0.237 110 V C 0.744 176.848 176.094 0.015 0.000 1.113 110 V CA 0.693 63.003 62.300 0.017 0.000 1.141 110 V CB -0.073 31.750 31.823 -0.000 0.000 0.873 110 V HN 0.727 nan 8.190 nan 0.000 0.486 111 T N 1.015 115.595 114.554 0.043 0.000 2.887 111 T HA 0.727 5.077 4.350 0.001 0.000 0.288 111 T C -0.855 173.892 174.700 0.079 0.000 1.021 111 T CA -0.386 61.743 62.100 0.049 0.000 1.000 111 T CB 2.417 71.301 68.868 0.026 0.000 1.034 111 T HN 0.270 nan 8.240 nan 0.000 0.467 112 R N 1.637 122.194 120.500 0.094 0.000 2.510 112 R HA 0.485 4.826 4.340 0.001 0.000 0.294 112 R C -0.582 175.771 176.300 0.088 0.000 1.056 112 R CA -0.596 55.565 56.100 0.103 0.000 0.918 112 R CB 0.222 30.608 30.300 0.143 0.000 1.187 112 R HN 0.688 nan 8.270 nan 0.000 0.437 113 R N 3.615 124.152 120.500 0.061 0.000 3.336 113 R HA -0.210 4.131 4.340 0.001 0.000 0.260 113 R C 0.715 177.040 176.300 0.042 0.000 1.032 113 R CA 0.910 57.036 56.100 0.043 0.000 0.693 113 R CB -1.881 28.445 30.300 0.043 0.000 1.134 113 R HN 1.239 nan 8.270 nan 0.000 0.433 114 G N -0.555 108.266 108.800 0.035 0.000 2.284 114 G HA2 -0.434 3.527 3.960 0.001 0.000 0.261 114 G HA3 -0.434 3.527 3.960 0.001 0.000 0.261 114 G C 0.175 175.093 174.900 0.030 0.000 0.997 114 G CA 1.179 46.295 45.100 0.027 0.000 0.621 114 G HN 0.589 nan 8.290 nan 0.000 0.534 115 K N -0.019 120.413 120.400 0.053 0.000 2.313 115 K HA 0.734 5.055 4.320 0.001 0.000 0.235 115 K C -3.204 173.430 176.600 0.058 0.000 1.035 115 K CA -2.461 53.858 56.287 0.054 0.000 0.868 115 K CB 1.854 34.420 32.500 0.111 0.000 1.232 115 K HN 0.006 nan 8.250 nan 0.000 0.459 116 P HA 0.072 nan 4.420 nan 0.000 0.272 116 P C -0.368 177.034 177.300 0.169 0.000 1.223 116 P CA -0.488 62.603 63.100 -0.015 0.000 0.784 116 P CB 0.443 32.020 31.700 -0.205 0.000 0.923 117 C N 1.690 121.073 119.300 0.138 0.000 2.745 117 C HA -0.029 4.432 4.460 0.001 0.000 0.387 117 C C 2.120 177.352 174.990 0.403 0.000 1.312 117 C CA -0.217 58.956 59.018 0.258 0.000 2.204 117 C CB -0.800 27.091 27.740 0.253 0.000 2.686 117 C HN 0.759 nan 8.230 nan 0.000 0.705 118 W N 0.884 122.297 121.300 0.188 0.000 2.335 118 W HA -0.171 4.489 4.660 0.001 0.000 0.311 118 W C 2.062 178.674 176.519 0.155 0.000 1.213 118 W CA 1.986 59.373 57.345 0.070 0.000 1.274 118 W CB -0.372 29.096 29.460 0.013 0.000 1.148 118 W HN 0.976 nan 8.180 nan 0.000 0.498 119 Y N 0.487 120.823 120.300 0.060 0.000 2.616 119 Y HA 0.156 4.707 4.550 0.001 0.000 0.296 119 Y C 1.886 177.756 175.900 -0.050 0.000 1.154 119 Y CA 0.651 58.708 58.100 -0.071 0.000 1.325 119 Y CB -1.068 37.405 38.460 0.023 0.000 1.007 119 Y HN -0.264 nan 8.280 nan 0.000 0.542 120 R N 0.114 120.325 120.500 -0.482 0.000 2.280 120 R HA 0.078 4.418 4.340 0.001 0.000 0.195 120 R C -0.228 175.941 176.300 -0.217 0.000 0.935 120 R CA 0.118 55.940 56.100 -0.464 0.000 1.033 120 R CB -0.654 29.392 30.300 -0.424 0.000 0.964 120 R HN 0.527 nan 8.270 nan 0.000 0.489 121 H N 1.724 120.607 119.070 -0.312 0.000 3.046 121 H HA -0.003 4.553 4.556 0.001 0.000 0.303 121 H C -1.412 173.771 175.328 -0.242 0.000 1.002 121 H CA -1.187 54.695 56.048 -0.277 0.000 1.460 121 H CB 1.032 30.532 29.762 -0.437 0.000 1.493 121 H HN -0.146 nan 8.280 nan 0.000 0.559 122 P HA -0.224 nan 4.420 nan 0.000 0.222 122 P C 0.789 178.055 177.300 -0.057 0.000 1.154 122 P CA 2.272 65.324 63.100 -0.080 0.000 0.874 122 P CB 0.145 31.803 31.700 -0.070 0.000 0.787 123 D N -1.491 118.883 120.400 -0.043 0.000 2.643 123 D HA 0.353 4.994 4.640 0.001 0.000 0.244 123 D C -0.190 176.085 176.300 -0.042 0.000 1.257 123 D CA -0.145 53.842 54.000 -0.021 0.000 0.831 123 D CB -0.075 40.742 40.800 0.028 0.000 1.043 123 D HN -0.035 nan 8.370 nan 0.000 0.488 124 V N 2.033 121.864 119.914 -0.139 0.000 2.409 124 V HA 0.485 4.605 4.120 0.001 0.000 0.290 124 V C 0.636 176.644 176.094 -0.144 0.000 1.017 124 V CA -0.668 61.494 62.300 -0.231 0.000 0.841 124 V CB 1.118 32.499 31.823 -0.737 0.000 1.003 124 V HN 0.528 nan 8.190 nan 0.000 0.426 125 T N 1.834 116.351 114.554 -0.061 0.000 2.868 125 T HA 0.366 4.717 4.350 0.001 0.000 0.292 125 T C 1.311 176.024 174.700 0.023 0.000 1.028 125 T CA -0.454 61.637 62.100 -0.016 0.000 1.059 125 T CB 1.628 70.491 68.868 -0.008 0.000 0.991 125 T HN 0.200 nan 8.240 nan 0.000 0.531 126 V N 2.355 122.308 119.914 0.065 0.000 2.343 126 V HA -0.214 3.906 4.120 0.001 0.000 0.247 126 V C 3.111 179.245 176.094 0.066 0.000 1.051 126 V CA 1.979 64.341 62.300 0.104 0.000 1.036 126 V CB -1.157 30.729 31.823 0.105 0.000 0.654 126 V HN 1.002 nan 8.190 nan 0.000 0.451 127 Q N -0.084 119.742 119.800 0.043 0.000 2.124 127 Q HA -0.262 4.079 4.340 0.001 0.000 0.202 127 Q C 2.356 178.385 176.000 0.048 0.000 0.977 127 Q CA 2.410 58.233 55.803 0.034 0.000 0.850 127 Q CB -1.348 27.401 28.738 0.019 0.000 0.901 127 Q HN 0.616 nan 8.270 nan 0.000 0.429 128 C N 0.827 120.159 119.300 0.054 0.000 2.467 128 C HA 0.292 4.752 4.460 0.001 0.000 0.279 128 C C 2.960 178.054 174.990 0.172 0.000 1.347 128 C CA 0.752 59.820 59.018 0.083 0.000 1.748 128 C CB -1.069 26.704 27.740 0.056 0.000 1.977 128 C HN 0.657 nan 8.230 nan 0.000 0.501 129 A N 0.706 123.627 122.820 0.168 0.000 1.902 129 A HA -0.082 4.239 4.320 0.001 0.000 0.217 129 A C 2.052 179.785 177.584 0.248 0.000 1.181 129 A CA 1.902 54.111 52.037 0.286 0.000 0.623 129 A CB -0.683 18.452 19.000 0.224 0.000 0.818 129 A HN 0.637 nan 8.150 nan 0.000 0.443 130 I N -0.327 120.326 120.570 0.138 0.000 2.163 130 I HA -0.284 3.886 4.170 0.001 0.000 0.243 130 I C 2.441 178.613 176.117 0.092 0.000 1.085 130 I CA 1.885 63.240 61.300 0.092 0.000 1.347 130 I CB -0.465 37.566 38.000 0.051 0.000 1.044 130 I HN 0.412 nan 8.210 nan 0.000 0.408 131 N N 0.871 119.620 118.700 0.082 0.000 2.244 131 N HA -0.191 4.549 4.740 0.001 0.000 0.183 131 N C 1.444 176.973 175.510 0.031 0.000 1.016 131 N CA 1.348 54.425 53.050 0.046 0.000 0.866 131 N CB -0.060 38.445 38.487 0.030 0.000 0.980 131 N HN 0.222 nan 8.380 nan 0.000 0.430 132 D N -0.828 119.637 120.400 0.108 0.000 2.144 132 D HA -0.057 4.583 4.640 0.001 0.000 0.200 132 D C 1.793 178.079 176.300 -0.024 0.000 0.978 132 D CA 1.190 55.229 54.000 0.065 0.000 0.833 132 D CB -0.664 40.301 40.800 0.276 0.000 0.961 132 D HN 0.441 nan 8.370 nan 0.000 0.470 133 G N 0.742 109.587 108.800 0.075 0.000 2.432 133 G HA2 -0.169 3.791 3.960 0.001 0.000 0.219 133 G HA3 -0.169 3.791 3.960 0.001 0.000 0.219 133 G C 1.780 176.811 174.900 0.217 0.000 1.135 133 G CA 0.237 45.411 45.100 0.124 0.000 0.767 133 G HN 0.248 nan 8.290 nan 0.000 0.550 134 L N -0.345 120.922 121.223 0.073 0.000 2.131 134 L HA 0.151 4.492 4.340 0.001 0.000 0.206 134 L C 2.800 179.558 176.870 -0.185 0.000 1.087 134 L CA 0.197 55.026 54.840 -0.017 0.000 0.767 134 L CB -0.352 41.701 42.059 -0.010 0.000 0.917 134 L HN 0.141 nan 8.230 nan 0.000 0.441 135 L N -0.275 120.778 121.223 -0.284 0.000 2.083 135 L HA -0.238 4.103 4.340 0.001 0.000 0.209 135 L C 2.541 178.936 176.870 -0.791 0.000 1.083 135 L CA 1.215 55.686 54.840 -0.614 0.000 0.752 135 L CB -0.376 41.240 42.059 -0.737 0.000 0.899 135 L HN 0.278 nan 8.230 nan 0.000 0.433 136 L N -0.298 120.655 121.223 -0.450 0.000 2.042 136 L HA -0.264 4.077 4.340 0.001 0.000 0.210 136 L C 2.723 179.607 176.870 0.024 0.000 1.076 136 L CA 1.405 56.182 54.840 -0.105 0.000 0.749 136 L CB -0.429 41.624 42.059 -0.010 0.000 0.893 136 L HN 0.254 nan 8.230 nan 0.000 0.432 137 K N -0.465 119.811 120.400 -0.208 0.000 2.097 137 K HA -0.121 4.200 4.320 0.001 0.000 0.205 137 K C 2.194 178.745 176.600 -0.082 0.000 1.050 137 K CA 1.381 57.481 56.287 -0.313 0.000 0.938 137 K CB 0.108 32.136 32.500 -0.786 0.000 0.718 137 K HN 0.157 nan 8.250 nan 0.000 0.442 138 S N 0.190 115.841 115.700 -0.082 0.000 2.423 138 S HA -0.109 4.362 4.470 0.001 0.000 0.231 138 S C 1.302 176.003 174.600 0.168 0.000 1.014 138 S CA 0.707 58.935 58.200 0.047 0.000 0.965 138 S CB -0.178 62.958 63.200 -0.108 0.000 0.785 138 S HN 0.414 nan 8.310 nan 0.000 0.495 139 W N 2.430 123.789 121.300 0.098 0.000 2.388 139 W HA -0.076 4.585 4.660 0.001 0.000 0.294 139 W C 2.795 179.353 176.519 0.064 0.000 1.212 139 W CA 1.474 58.886 57.345 0.113 0.000 1.271 139 W CB -1.765 27.838 29.460 0.237 0.000 1.126 139 W HN 0.466 nan 8.180 nan 0.000 0.535 140 T N -2.539 112.172 114.554 0.262 0.000 2.699 140 T HA -0.280 4.071 4.350 0.001 0.000 0.268 140 T C 1.511 176.198 174.700 -0.022 0.000 1.036 140 T CA 2.032 64.163 62.100 0.051 0.000 1.147 140 T CB -0.909 67.978 68.868 0.032 0.000 0.862 140 T HN 0.256 nan 8.240 nan 0.000 0.446 141 H N 0.541 119.707 119.070 0.159 0.000 2.363 141 H HA 0.131 4.688 4.556 0.001 0.000 0.301 141 H C 2.512 177.940 175.328 0.168 0.000 1.074 141 H CA 1.430 57.561 56.048 0.139 0.000 1.354 141 H CB -0.164 29.680 29.762 0.137 0.000 1.397 141 H HN 0.161 nan 8.280 nan 0.000 0.516 142 M N 0.521 120.321 119.600 0.333 0.000 2.117 142 M HA -0.152 4.328 4.480 0.001 0.000 0.262 142 M C 2.436 178.941 176.300 0.340 0.000 1.065 142 M CA 1.521 57.019 55.300 0.331 0.000 1.114 142 M CB -0.879 31.937 32.600 0.360 0.000 1.361 142 M HN 0.513 nan 8.290 nan 0.000 0.408 143 M N -1.046 118.720 119.600 0.277 0.000 2.156 143 M HA 0.090 4.571 4.480 0.001 0.000 0.264 143 M C 2.301 178.720 176.300 0.198 0.000 1.067 143 M CA 1.815 57.259 55.300 0.239 0.000 1.131 143 M CB -0.949 31.720 32.600 0.115 0.000 1.368 143 M HN 0.055 nan 8.290 nan 0.000 0.416 144 A N 0.963 123.898 122.820 0.191 0.000 1.883 144 A HA -0.171 4.149 4.320 0.001 0.000 0.217 144 A C 2.237 179.977 177.584 0.259 0.000 1.186 144 A CA 2.292 54.512 52.037 0.305 0.000 0.624 144 A CB -0.778 18.405 19.000 0.306 0.000 0.822 144 A HN 0.597 nan 8.150 nan 0.000 0.444 145 M N -0.923 118.803 119.600 0.210 0.000 2.279 145 M HA -0.119 4.362 4.480 0.001 0.000 0.264 145 M C 1.846 178.177 176.300 0.051 0.000 1.062 145 M CA 1.771 57.164 55.300 0.155 0.000 1.099 145 M CB -0.791 31.909 32.600 0.166 0.000 1.394 145 M HN 0.689 nan 8.290 nan 0.000 0.426 146 H N -1.611 117.343 119.070 -0.193 0.000 2.363 146 H HA -0.101 4.456 4.556 0.001 0.000 0.301 146 H C 1.310 176.235 175.328 -0.673 0.000 1.074 146 H CA 1.668 57.379 56.048 -0.562 0.000 1.354 146 H CB 0.138 29.194 29.762 -1.177 0.000 1.397 146 H HN 0.383 nan 8.280 nan 0.000 0.516 147 F N -0.524 119.101 119.950 -0.542 0.000 2.317 147 F HA 0.031 4.558 4.527 0.001 0.000 0.290 147 F C 1.484 176.970 175.800 -0.524 0.000 1.075 147 F CA 0.226 57.822 58.000 -0.674 0.000 1.380 147 F CB -0.145 38.333 39.000 -0.870 0.000 1.093 147 F HN 0.058 nan 8.300 nan 0.000 0.524 148 F N 0.100 120.106 119.950 0.093 0.000 2.773 148 F HA 0.360 4.888 4.527 0.001 0.000 0.304 148 F C 2.043 177.803 175.800 -0.067 0.000 1.129 148 F CA -0.162 57.841 58.000 0.006 0.000 1.378 148 F CB -1.609 37.434 39.000 0.071 0.000 1.095 148 F HN -0.050 nan 8.300 nan 0.000 0.565 149 A N 0.597 123.435 122.820 0.031 0.000 1.893 149 A HA -0.305 4.015 4.320 0.001 0.000 0.222 149 A C 0.911 178.486 177.584 -0.015 0.000 1.309 149 A CA 2.404 54.439 52.037 -0.003 0.000 0.681 149 A CB -1.111 17.850 19.000 -0.065 0.000 0.842 149 A HN 0.380 nan 8.150 nan 0.000 0.468 150 D N -1.253 119.121 120.400 -0.043 0.000 2.973 150 D HA 0.497 5.138 4.640 0.001 0.000 0.263 150 D C -0.072 176.169 176.300 -0.099 0.000 1.266 150 D CA -0.021 53.944 54.000 -0.058 0.000 0.975 150 D CB 0.411 41.178 40.800 -0.054 0.000 1.032 150 D HN 0.181 nan 8.370 nan 0.000 0.510 151 R N 0.806 121.211 120.500 -0.158 0.000 2.513 151 R HA 0.383 4.724 4.340 0.001 0.000 0.301 151 R C -1.950 174.114 176.300 -0.393 0.000 0.968 151 R CA -2.201 53.673 56.100 -0.377 0.000 0.872 151 R CB 1.250 31.161 30.300 -0.649 0.000 1.177 151 R HN -0.067 nan 8.270 nan 0.000 0.444 152 P HA -0.131 nan 4.420 nan 0.000 0.218 152 P C 0.215 177.469 177.300 -0.077 0.000 1.146 152 P CA 1.075 64.086 63.100 -0.148 0.000 0.813 152 P CB 0.038 31.699 31.700 -0.065 0.000 0.778 153 F N -2.911 117.036 119.950 -0.005 0.000 2.727 153 F HA 0.308 4.836 4.527 0.001 0.000 0.302 153 F C 1.480 177.253 175.800 -0.045 0.000 1.097 153 F CA -0.677 57.305 58.000 -0.031 0.000 1.330 153 F CB -1.418 37.546 39.000 -0.060 0.000 1.084 153 F HN -0.256 nan 8.300 nan 0.000 0.578 154 L N 1.511 122.742 121.223 0.014 0.000 2.021 154 L HA -0.245 4.095 4.340 0.001 0.000 0.215 154 L C 2.660 179.610 176.870 0.133 0.000 1.074 154 L CA 2.462 57.359 54.840 0.095 0.000 0.760 154 L CB -1.158 40.923 42.059 0.037 0.000 0.889 154 L HN 0.512 nan 8.230 nan 0.000 0.433 155 Q N -1.014 118.848 119.800 0.102 0.000 2.020 155 Q HA -0.270 4.071 4.340 0.001 0.000 0.202 155 Q C 2.030 178.096 176.000 0.111 0.000 0.982 155 Q CA 2.171 58.032 55.803 0.097 0.000 0.838 155 Q CB -0.337 28.444 28.738 0.071 0.000 0.899 155 Q HN 0.646 nan 8.270 nan 0.000 0.423 156 D N -0.013 120.457 120.400 0.118 0.000 2.123 156 D HA -0.198 4.442 4.640 0.001 0.000 0.196 156 D C 1.957 178.318 176.300 0.101 0.000 0.992 156 D CA 1.159 55.220 54.000 0.103 0.000 0.833 156 D CB -0.311 40.546 40.800 0.095 0.000 0.954 156 D HN 0.382 nan 8.370 nan 0.000 0.455 157 L N -0.052 121.235 121.223 0.106 0.000 1.989 157 L HA -0.184 4.157 4.340 0.001 0.000 0.211 157 L C 2.461 179.415 176.870 0.140 0.000 1.071 157 L CA 1.274 56.145 54.840 0.052 0.000 0.749 157 L CB -0.323 41.725 42.059 -0.019 0.000 0.890 157 L HN 0.212 nan 8.230 nan 0.000 0.431 158 L N -0.863 120.458 121.223 0.162 0.000 2.201 158 L HA -0.267 4.074 4.340 0.001 0.000 0.212 158 L C 2.922 179.947 176.870 0.258 0.000 1.105 158 L CA 0.994 55.982 54.840 0.248 0.000 0.775 158 L CB -0.491 41.701 42.059 0.222 0.000 0.913 158 L HN 0.580 nan 8.230 nan 0.000 0.440 159 C N 0.780 120.187 119.300 0.178 0.000 2.436 159 C HA -0.180 4.281 4.460 0.001 0.000 0.277 159 C C 2.946 178.034 174.990 0.164 0.000 1.241 159 C CA 0.975 60.081 59.018 0.147 0.000 1.721 159 C CB -0.648 27.156 27.740 0.107 0.000 2.043 159 C HN 0.447 nan 8.230 nan 0.000 0.472 160 R N -0.978 119.622 120.500 0.166 0.000 2.115 160 R HA -0.044 4.296 4.340 0.001 0.000 0.230 160 R C 2.080 178.506 176.300 0.210 0.000 1.111 160 R CA 1.762 57.961 56.100 0.166 0.000 0.976 160 R CB -0.651 29.733 30.300 0.141 0.000 0.870 160 R HN 0.673 nan 8.270 nan 0.000 0.445 161 F N 1.826 121.846 119.950 0.116 0.000 2.075 161 F HA -0.161 4.367 4.527 0.001 0.000 0.297 161 F C 1.508 177.406 175.800 0.163 0.000 1.113 161 F CA 1.750 59.831 58.000 0.134 0.000 1.218 161 F CB -0.276 38.796 39.000 0.120 0.000 0.984 161 F HN -0.038 nan 8.300 nan 0.000 0.472 162 N N -0.520 118.311 118.700 0.219 0.000 2.188 162 N HA -0.112 4.629 4.740 0.001 0.000 0.184 162 N C 1.880 177.462 175.510 0.120 0.000 1.018 162 N CA 0.797 53.939 53.050 0.153 0.000 0.858 162 N CB -0.093 38.532 38.487 0.231 0.000 0.989 162 N HN 0.215 nan 8.380 nan 0.000 0.426 163 R N 0.452 121.030 120.500 0.130 0.000 2.073 163 R HA -0.053 4.288 4.340 0.001 0.000 0.234 163 R C 2.043 178.409 176.300 0.110 0.000 1.134 163 R CA 0.995 57.189 56.100 0.156 0.000 0.952 163 R CB -0.497 29.878 30.300 0.125 0.000 0.850 163 R HN 0.110 nan 8.270 nan 0.000 0.433 164 V N 1.518 121.470 119.914 0.064 0.000 2.407 164 V HA -0.257 3.864 4.120 0.001 0.000 0.248 164 V C 1.928 178.060 176.094 0.064 0.000 1.055 164 V CA 2.158 64.496 62.300 0.063 0.000 1.049 164 V CB -0.555 31.337 31.823 0.114 0.000 0.662 164 V HN 0.352 nan 8.190 nan 0.000 0.455 165 D N -0.891 119.516 120.400 0.011 0.000 2.117 165 D HA -0.251 4.390 4.640 0.001 0.000 0.198 165 D C 2.042 178.436 176.300 0.156 0.000 0.982 165 D CA 1.379 55.434 54.000 0.092 0.000 0.828 165 D CB -0.243 40.557 40.800 -0.001 0.000 0.967 165 D HN 0.469 nan 8.370 nan 0.000 0.464 166 Y N 1.094 121.398 120.300 0.006 0.000 2.145 166 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 166 Y C 2.530 178.398 175.900 -0.053 0.000 1.145 166 Y CA 2.609 60.701 58.100 -0.014 0.000 1.148 166 Y CB -1.238 37.211 38.460 -0.018 0.000 0.981 166 Y HN 0.159 nan 8.280 nan 0.000 0.507 167 T N -3.349 111.062 114.554 -0.239 0.000 2.881 167 T HA -0.150 4.201 4.350 0.001 0.000 0.270 167 T C 1.776 176.383 174.700 -0.154 0.000 1.068 167 T CA 1.897 63.794 62.100 -0.338 0.000 1.131 167 T CB -0.943 67.728 68.868 -0.328 0.000 0.871 167 T HN 0.371 nan 8.240 nan 0.000 0.479 168 T N 1.677 116.190 114.554 -0.069 0.000 2.857 168 T HA 0.262 4.613 4.350 0.001 0.000 0.266 168 T C 2.469 177.058 174.700 -0.186 0.000 1.048 168 T CA 0.984 63.034 62.100 -0.083 0.000 1.139 168 T CB -0.701 68.040 68.868 -0.211 0.000 0.874 168 T HN 0.603 nan 8.240 nan 0.000 0.455 169 A N 1.130 123.859 122.820 -0.152 0.000 1.902 169 A HA -0.034 4.287 4.320 0.001 0.000 0.217 169 A C 2.549 180.002 177.584 -0.218 0.000 1.181 169 A CA 1.221 53.185 52.037 -0.122 0.000 0.623 169 A CB -1.011 17.996 19.000 0.011 0.000 0.818 169 A HN 0.342 nan 8.150 nan 0.000 0.443 170 V N 0.002 119.703 119.914 -0.356 0.000 2.343 170 V HA -0.199 3.922 4.120 0.001 0.000 0.247 170 V C 2.798 178.520 176.094 -0.619 0.000 1.051 170 V CA 1.980 63.944 62.300 -0.560 0.000 1.036 170 V CB -1.447 29.933 31.823 -0.738 0.000 0.654 170 V HN 0.615 nan 8.190 nan 0.000 0.451 171 G N -1.620 107.016 108.800 -0.274 0.000 2.448 171 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 171 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 171 G C 1.513 176.403 174.900 -0.018 0.000 1.127 171 G CA 0.395 45.507 45.100 0.021 0.000 0.766 171 G HN 0.430 nan 8.290 nan 0.000 0.552 172 Q N -0.551 119.186 119.800 -0.106 0.000 2.378 172 Q HA 0.078 4.418 4.340 0.001 0.000 0.205 172 Q C 2.393 178.355 176.000 -0.064 0.000 0.954 172 Q CA 0.348 56.110 55.803 -0.069 0.000 0.901 172 Q CB -0.003 28.674 28.738 -0.102 0.000 0.981 172 Q HN 0.495 nan 8.270 nan 0.000 0.483 173 L N -0.294 120.828 121.223 -0.168 0.000 2.044 173 L HA -0.130 4.211 4.340 0.001 0.000 0.205 173 L C 1.742 178.596 176.870 -0.026 0.000 1.075 173 L CA 1.774 56.523 54.840 -0.152 0.000 0.747 173 L CB -0.913 40.958 42.059 -0.314 0.000 0.903 173 L HN 0.069 nan 8.230 nan 0.000 0.435 174 Y N 0.142 120.442 120.300 0.001 0.000 2.224 174 Y HA -0.228 4.323 4.550 0.001 0.000 0.289 174 Y C 2.670 178.586 175.900 0.027 0.000 1.146 174 Y CA 1.330 59.440 58.100 0.018 0.000 1.182 174 Y CB -1.113 37.356 38.460 0.016 0.000 0.983 174 Y HN 0.414 nan 8.280 nan 0.000 0.524 175 D N -0.125 120.378 120.400 0.173 0.000 2.103 175 D HA -0.131 4.510 4.640 0.001 0.000 0.199 175 D C 2.213 178.572 176.300 0.099 0.000 0.978 175 D CA 1.156 55.218 54.000 0.104 0.000 0.829 175 D CB -0.074 40.770 40.800 0.073 0.000 0.981 175 D HN 0.203 nan 8.370 nan 0.000 0.464 176 V N 0.685 120.658 119.914 0.097 0.000 2.626 176 V HA -0.135 3.985 4.120 0.001 0.000 0.252 176 V C 1.787 178.007 176.094 0.209 0.000 1.067 176 V CA 2.073 64.445 62.300 0.120 0.000 1.081 176 V CB -0.273 31.603 31.823 0.088 0.000 0.686 176 V HN 0.484 nan 8.190 nan 0.000 0.468 177 T N -3.270 111.423 114.554 0.232 0.000 3.268 177 T HA 0.170 4.521 4.350 0.001 0.000 0.258 177 T C 1.010 175.884 174.700 0.291 0.000 0.966 177 T CA 0.361 62.691 62.100 0.384 0.000 0.952 177 T CB 0.367 69.422 68.868 0.312 0.000 1.132 177 T HN 0.438 nan 8.240 nan 0.000 0.536 178 S N 0.381 116.173 115.700 0.154 0.000 2.517 178 S HA 0.142 4.612 4.470 0.001 0.000 0.214 178 S C 1.410 176.102 174.600 0.153 0.000 0.991 178 S CA -0.436 57.828 58.200 0.107 0.000 0.906 178 S CB -0.358 62.837 63.200 -0.008 0.000 0.789 178 S HN 0.431 nan 8.310 nan 0.000 0.513 179 M N 0.758 120.329 119.600 -0.049 0.000 2.541 179 M HA 0.428 4.909 4.480 0.001 0.000 0.252 179 M C -0.736 175.348 176.300 -0.359 0.000 1.125 179 M CA 0.266 55.478 55.300 -0.146 0.000 1.091 179 M CB -0.610 31.718 32.600 -0.452 0.000 1.420 179 M HN 0.144 nan 8.290 nan 0.000 0.486 180 F N 0.926 120.959 119.950 0.139 0.000 2.415 180 F HA 0.277 4.804 4.527 0.001 0.000 0.348 180 F C 0.647 176.497 175.800 0.083 0.000 1.119 180 F CA -1.981 56.067 58.000 0.080 0.000 1.069 180 F CB 0.282 39.320 39.000 0.063 0.000 1.124 180 F HN -0.078 nan 8.300 nan 0.000 0.472 181 D N 2.297 122.830 120.400 0.222 0.000 2.376 181 D HA -0.088 4.553 4.640 0.001 0.000 0.278 181 D C 1.464 177.854 176.300 0.151 0.000 1.384 181 D CA 0.382 54.471 54.000 0.147 0.000 1.033 181 D CB 0.701 41.557 40.800 0.093 0.000 1.102 181 D HN 0.709 nan 8.370 nan 0.000 0.530 182 S N 3.360 119.150 115.700 0.149 0.000 2.444 182 S HA -0.297 4.174 4.470 0.001 0.000 0.244 182 S C 1.257 175.908 174.600 0.085 0.000 1.025 182 S CA 1.375 59.650 58.200 0.125 0.000 0.995 182 S CB -0.258 63.010 63.200 0.114 0.000 0.781 182 S HN 0.529 nan 8.310 nan 0.000 0.496 183 N N 1.134 119.879 118.700 0.075 0.000 2.446 183 N HA 0.125 4.866 4.740 0.001 0.000 0.179 183 N C 0.861 176.397 175.510 0.044 0.000 1.054 183 N CA 0.653 53.734 53.050 0.053 0.000 0.905 183 N CB 0.010 38.525 38.487 0.047 0.000 0.973 183 N HN 0.502 nan 8.380 nan 0.000 0.448 184 K N 0.532 120.964 120.400 0.053 0.000 2.681 184 K HA 0.192 4.513 4.320 0.001 0.000 0.211 184 K C -0.782 175.830 176.600 0.020 0.000 1.075 184 K CA -0.271 56.038 56.287 0.037 0.000 1.141 184 K CB 0.404 32.933 32.500 0.047 0.000 0.896 184 K HN 0.023 nan 8.250 nan 0.000 0.470 185 L N 2.089 123.324 121.223 0.019 0.000 2.353 185 L HA 0.267 4.608 4.340 0.001 0.000 0.269 185 L C -1.199 175.656 176.870 -0.025 0.000 1.085 185 L CA -0.031 54.801 54.840 -0.012 0.000 0.938 185 L CB 0.224 42.297 42.059 0.024 0.000 1.312 185 L HN 0.000 nan 8.230 nan 0.000 0.429 186 D N 4.516 124.889 120.400 -0.046 0.000 2.788 186 D HA 0.386 5.027 4.640 0.001 0.000 0.247 186 D C -2.053 174.214 176.300 -0.056 0.000 1.236 186 D CA -1.837 52.141 54.000 -0.038 0.000 0.898 186 D CB 2.547 43.333 40.800 -0.023 0.000 1.401 186 D HN 0.145 nan 8.370 nan 0.000 0.549 187 P HA -0.115 nan 4.420 nan 0.000 0.216 187 P C 0.431 177.702 177.300 -0.048 0.000 1.157 187 P CA 1.065 64.132 63.100 -0.055 0.000 0.880 187 P CB 0.299 31.977 31.700 -0.038 0.000 0.791 188 D N -1.198 119.181 120.400 -0.034 0.000 2.363 188 D HA 0.034 4.675 4.640 0.001 0.000 0.226 188 D C 0.067 176.350 176.300 -0.028 0.000 1.020 188 D CA 0.694 54.678 54.000 -0.027 0.000 0.892 188 D CB 0.327 41.116 40.800 -0.019 0.000 0.900 188 D HN 0.097 nan 8.370 nan 0.000 0.531 189 V N 0.411 120.303 119.914 -0.036 0.000 2.612 189 V HA 0.107 4.228 4.120 0.001 0.000 0.301 189 V C 0.191 176.256 176.094 -0.048 0.000 1.059 189 V CA -0.866 61.414 62.300 -0.032 0.000 0.886 189 V CB 2.128 33.938 31.823 -0.022 0.000 1.007 189 V HN -0.084 nan 8.190 nan 0.000 0.426 190 S N 3.355 119.029 115.700 -0.043 0.000 2.606 190 S HA 0.602 5.073 4.470 0.001 0.000 0.257 190 S C -0.476 174.103 174.600 -0.035 0.000 1.327 190 S CA 0.163 58.332 58.200 -0.053 0.000 0.984 190 S CB 1.241 64.423 63.200 -0.031 0.000 0.941 190 S HN 0.788 nan 8.310 nan 0.000 0.576 191 Q N 0.576 120.362 119.800 -0.023 0.000 2.503 191 Q HA 0.483 4.824 4.340 0.001 0.000 0.268 191 Q C -2.680 173.413 176.000 0.154 0.000 0.982 191 Q CA -0.965 54.867 55.803 0.047 0.000 0.907 191 Q CB 1.756 30.526 28.738 0.053 0.000 1.467 191 Q HN 0.574 nan 8.270 nan 0.000 0.394 192 P HA 0.428 nan 4.420 nan 0.000 0.301 192 P C -0.756 176.633 177.300 0.148 0.000 1.309 192 P CA -0.462 62.739 63.100 0.168 0.000 0.782 192 P CB 0.542 32.281 31.700 0.065 0.000 1.282 193 T N 0.528 115.088 114.554 0.011 0.000 2.934 193 T HA 0.078 4.429 4.350 0.001 0.000 0.306 193 T C 0.734 175.311 174.700 -0.204 0.000 1.042 193 T CA 0.458 62.465 62.100 -0.156 0.000 1.145 193 T CB -0.267 68.517 68.868 -0.141 0.000 0.982 193 T HN 0.537 nan 8.240 nan 0.000 0.544 194 T N 1.667 116.025 114.554 -0.327 0.000 2.903 194 T HA 0.113 4.464 4.350 0.001 0.000 0.314 194 T C 1.396 175.668 174.700 -0.714 0.000 1.078 194 T CA 0.229 62.071 62.100 -0.430 0.000 1.114 194 T CB 0.279 68.873 68.868 -0.457 0.000 0.987 194 T HN 0.772 nan 8.240 nan 0.000 0.548 195 T N -0.058 114.203 114.554 -0.489 0.000 2.971 195 T HA 0.140 4.491 4.350 0.001 0.000 0.252 195 T C 1.178 175.751 174.700 -0.213 0.000 1.022 195 T CA 0.344 62.232 62.100 -0.354 0.000 0.980 195 T CB 0.145 68.938 68.868 -0.124 0.000 1.044 195 T HN 0.738 nan 8.240 nan 0.000 0.501 196 D N 0.877 121.147 120.400 -0.216 0.000 2.388 196 D HA 0.022 4.663 4.640 0.001 0.000 0.208 196 D C 0.620 176.994 176.300 0.124 0.000 1.035 196 D CA -0.310 53.694 54.000 0.007 0.000 0.875 196 D CB -0.614 40.188 40.800 0.003 0.000 0.984 196 D HN 0.321 nan 8.370 nan 0.000 0.508 197 F N 0.041 119.944 119.950 -0.080 0.000 3.084 197 F HA -0.282 4.245 4.527 0.001 0.000 0.286 197 F C 1.827 177.637 175.800 0.017 0.000 0.855 197 F CA 0.244 58.137 58.000 -0.178 0.000 1.091 197 F CB -1.971 36.784 39.000 -0.409 0.000 1.177 197 F HN 0.176 nan 8.300 nan 0.000 0.542 198 A N -0.334 122.583 122.820 0.161 0.000 1.986 198 A HA -0.214 4.106 4.320 0.001 0.000 0.220 198 A C 2.169 179.880 177.584 0.211 0.000 1.171 198 A CA 1.955 54.084 52.037 0.153 0.000 0.640 198 A CB -0.263 18.793 19.000 0.094 0.000 0.811 198 A HN 0.478 nan 8.150 nan 0.000 0.451 199 E N -0.733 119.639 120.200 0.286 0.000 2.347 199 E HA -0.074 4.277 4.350 0.001 0.000 0.196 199 E C -0.249 176.583 176.600 0.386 0.000 1.008 199 E CA 0.244 56.828 56.400 0.308 0.000 0.852 199 E CB -0.271 29.612 29.700 0.305 0.000 0.783 199 E HN 0.613 nan 8.360 nan 0.000 0.505 200 F N 2.295 122.344 119.950 0.165 0.000 2.651 200 F HA 0.030 4.558 4.527 0.001 0.000 0.367 200 F C 0.907 176.746 175.800 0.064 0.000 1.225 200 F CA -0.052 58.035 58.000 0.144 0.000 1.310 200 F CB -0.837 38.266 39.000 0.172 0.000 1.724 200 F HN -0.277 nan 8.300 nan 0.000 0.662 201 T N -2.303 112.347 114.554 0.160 0.000 2.888 201 T HA 0.341 4.692 4.350 0.001 0.000 0.284 201 T C 0.995 175.742 174.700 0.079 0.000 1.017 201 T CA -0.864 61.289 62.100 0.088 0.000 1.022 201 T CB 1.789 70.703 68.868 0.077 0.000 1.013 201 T HN 0.221 nan 8.240 nan 0.000 0.465 202 L N 2.527 123.775 121.223 0.042 0.000 2.089 202 L HA -0.081 4.260 4.340 0.001 0.000 0.213 202 L C 2.672 179.623 176.870 0.136 0.000 1.079 202 L CA 2.313 57.202 54.840 0.081 0.000 0.758 202 L CB -0.926 41.152 42.059 0.032 0.000 0.891 202 L HN 0.905 nan 8.230 nan 0.000 0.433 203 S N -0.897 114.852 115.700 0.083 0.000 2.383 203 S HA -0.144 4.326 4.470 0.001 0.000 0.227 203 S C 1.827 176.456 174.600 0.048 0.000 1.026 203 S CA 1.361 59.599 58.200 0.064 0.000 0.981 203 S CB -0.342 62.883 63.200 0.042 0.000 0.818 203 S HN 0.623 nan 8.310 nan 0.000 0.472 204 N N -0.185 118.545 118.700 0.051 0.000 2.354 204 N HA -0.009 4.731 4.740 0.001 0.000 0.179 204 N C 1.363 176.879 175.510 0.009 0.000 1.021 204 N CA 0.818 53.872 53.050 0.007 0.000 0.887 204 N CB -0.456 38.044 38.487 0.022 0.000 0.974 204 N HN 0.588 nan 8.380 nan 0.000 0.437 205 Y N 1.955 122.237 120.300 -0.030 0.000 2.200 205 Y HA -0.071 4.480 4.550 0.001 0.000 0.290 205 Y C 2.098 178.015 175.900 0.028 0.000 1.137 205 Y CA 1.584 59.678 58.100 -0.010 0.000 1.163 205 Y CB -0.004 38.459 38.460 0.006 0.000 0.988 205 Y HN -0.131 nan 8.280 nan 0.000 0.518 206 K N -0.047 120.392 120.400 0.066 0.000 2.103 206 K HA -0.221 4.099 4.320 0.001 0.000 0.207 206 K C 2.356 178.912 176.600 -0.073 0.000 1.048 206 K CA 1.582 57.874 56.287 0.008 0.000 0.930 206 K CB -0.190 32.365 32.500 0.092 0.000 0.716 206 K HN 0.272 nan 8.250 nan 0.000 0.444 207 R N 1.125 121.591 120.500 -0.057 0.000 2.066 207 R HA -0.081 4.260 4.340 0.001 0.000 0.232 207 R C 2.173 178.515 176.300 0.071 0.000 1.131 207 R CA 1.243 57.337 56.100 -0.010 0.000 0.955 207 R CB -0.205 30.002 30.300 -0.154 0.000 0.851 207 R HN 0.108 nan 8.270 nan 0.000 0.432 208 I N 0.347 120.891 120.570 -0.043 0.000 2.118 208 I HA -0.315 3.856 4.170 0.001 0.000 0.241 208 I C 2.324 178.450 176.117 0.016 0.000 1.070 208 I CA 1.412 62.741 61.300 0.049 0.000 1.327 208 I CB -0.396 37.554 38.000 -0.083 0.000 1.034 208 I HN 0.069 nan 8.210 nan 0.000 0.405 209 V N 1.031 120.819 119.914 -0.210 0.000 2.343 209 V HA -0.307 3.814 4.120 0.001 0.000 0.247 209 V C 2.571 178.638 176.094 -0.045 0.000 1.051 209 V CA 2.075 64.276 62.300 -0.166 0.000 1.036 209 V CB -0.738 30.889 31.823 -0.327 0.000 0.654 209 V HN 0.442 nan 8.190 nan 0.000 0.451 210 K N -0.855 119.486 120.400 -0.100 0.000 2.063 210 K HA -0.233 4.088 4.320 0.001 0.000 0.208 210 K C 2.125 178.653 176.600 -0.119 0.000 1.048 210 K CA 2.173 58.341 56.287 -0.199 0.000 0.928 210 K CB -0.252 32.021 32.500 -0.378 0.000 0.713 210 K HN 0.518 nan 8.250 nan 0.000 0.442 211 Y N 0.655 121.099 120.300 0.238 0.000 2.301 211 Y HA -0.012 4.539 4.550 0.001 0.000 0.295 211 Y C 2.212 178.231 175.900 0.199 0.000 1.119 211 Y CA 1.336 59.602 58.100 0.276 0.000 1.162 211 Y CB -0.023 38.577 38.460 0.235 0.000 1.046 211 Y HN 0.142 nan 8.280 nan 0.000 0.538 212 K N -1.221 119.350 120.400 0.285 0.000 2.305 212 K HA 0.038 4.359 4.320 0.001 0.000 0.199 212 K C 0.953 177.723 176.600 0.283 0.000 1.047 212 K CA 1.743 58.144 56.287 0.189 0.000 0.976 212 K CB -0.145 32.428 32.500 0.121 0.000 0.765 212 K HN 0.092 nan 8.250 nan 0.000 0.474 213 T N 0.196 114.893 114.554 0.238 0.000 3.238 213 T HA 0.255 4.605 4.350 0.001 0.000 0.242 213 T C 2.001 176.723 174.700 0.036 0.000 0.980 213 T CA 0.315 62.521 62.100 0.176 0.000 1.235 213 T CB -0.320 68.664 68.868 0.193 0.000 1.069 213 T HN 0.250 nan 8.240 nan 0.000 0.407 214 A N 1.235 124.090 122.820 0.058 0.000 1.882 214 A HA -0.231 4.090 4.320 0.001 0.000 0.220 214 A C 2.001 179.566 177.584 -0.032 0.000 1.253 214 A CA 2.229 54.251 52.037 -0.025 0.000 0.664 214 A CB -1.501 17.393 19.000 -0.175 0.000 0.838 214 A HN 0.546 nan 8.150 nan 0.000 0.460 215 Y N -1.013 119.321 120.300 0.056 0.000 2.081 215 Y HA -0.309 4.242 4.550 0.001 0.000 0.280 215 Y C 2.546 178.525 175.900 0.132 0.000 1.163 215 Y CA 2.497 60.657 58.100 0.100 0.000 1.135 215 Y CB -0.977 37.563 38.460 0.133 0.000 0.970 215 Y HN 0.682 nan 8.280 nan 0.000 0.498 216 Y N -1.813 118.632 120.300 0.242 0.000 2.475 216 Y HA 0.046 4.597 4.550 0.001 0.000 0.289 216 Y C 1.942 177.905 175.900 0.105 0.000 1.121 216 Y CA 1.224 59.432 58.100 0.181 0.000 1.257 216 Y CB -0.983 37.613 38.460 0.226 0.000 1.026 216 Y HN -0.094 nan 8.280 nan 0.000 0.555 217 T N -0.652 113.533 114.554 -0.615 0.000 3.009 217 T HA 0.034 4.385 4.350 0.001 0.000 0.258 217 T C 0.673 175.004 174.700 -0.615 0.000 1.063 217 T CA 1.464 63.143 62.100 -0.703 0.000 1.139 217 T CB -0.194 68.176 68.868 -0.829 0.000 0.890 217 T HN 0.444 nan 8.240 nan 0.000 0.471 218 Y N -0.542 119.610 120.300 -0.248 0.000 2.736 218 Y HA 0.420 4.971 4.550 0.001 0.000 0.272 218 Y C 1.853 177.708 175.900 -0.075 0.000 1.118 218 Y CA -0.467 57.534 58.100 -0.165 0.000 1.248 218 Y CB -0.120 38.243 38.460 -0.161 0.000 1.437 218 Y HN -0.034 nan 8.280 nan 0.000 0.481 219 L N 0.179 121.459 121.223 0.096 0.000 2.072 219 L HA -0.115 4.226 4.340 0.001 0.000 0.205 219 L C 2.048 178.994 176.870 0.126 0.000 1.079 219 L CA 1.588 56.485 54.840 0.094 0.000 0.752 219 L CB -0.752 41.337 42.059 0.050 0.000 0.906 219 L HN 0.342 nan 8.230 nan 0.000 0.436 220 L N 1.042 122.351 121.223 0.143 0.000 1.994 220 L HA -0.074 4.267 4.340 0.001 0.000 0.208 220 L C -0.533 176.411 176.870 0.124 0.000 1.071 220 L CA 1.973 56.912 54.840 0.165 0.000 0.745 220 L CB -1.853 40.334 42.059 0.212 0.000 0.892 220 L HN 0.087 nan 8.230 nan 0.000 0.431 221 P HA -0.177 nan 4.420 nan 0.000 0.216 221 P C 2.087 179.413 177.300 0.044 0.000 1.150 221 P CA 1.559 64.675 63.100 0.026 0.000 0.843 221 P CB -0.038 31.622 31.700 -0.067 0.000 0.787 222 L N -1.461 119.808 121.223 0.077 0.000 2.027 222 L HA -0.136 4.205 4.340 0.001 0.000 0.206 222 L C 2.369 179.338 176.870 0.165 0.000 1.074 222 L CA 1.338 56.278 54.840 0.168 0.000 0.745 222 L CB -1.137 41.068 42.059 0.243 0.000 0.898 222 L HN -0.133 nan 8.230 nan 0.000 0.433 223 V N -0.348 119.633 119.914 0.112 0.000 2.427 223 V HA -0.281 3.840 4.120 0.001 0.000 0.248 223 V C 2.457 178.547 176.094 -0.005 0.000 1.051 223 V CA 1.735 64.065 62.300 0.051 0.000 1.048 223 V CB -0.340 31.526 31.823 0.071 0.000 0.666 223 V HN 0.385 nan 8.190 nan 0.000 0.456 224 M N 0.126 119.732 119.600 0.011 0.000 2.175 224 M HA -0.059 4.422 4.480 0.001 0.000 0.264 224 M C 2.265 178.501 176.300 -0.106 0.000 1.063 224 M CA 1.996 57.259 55.300 -0.061 0.000 1.119 224 M CB -0.812 31.789 32.600 0.002 0.000 1.377 224 M HN 0.471 nan 8.290 nan 0.000 0.415 225 G N 0.207 108.988 108.800 -0.032 0.000 2.422 225 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 225 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 225 G C 1.513 176.389 174.900 -0.041 0.000 1.140 225 G CA 0.461 45.548 45.100 -0.022 0.000 0.775 225 G HN 0.322 nan 8.290 nan 0.000 0.545 226 L N -0.039 121.158 121.223 -0.045 0.000 2.156 226 L HA 0.125 4.466 4.340 0.001 0.000 0.208 226 L C 2.749 179.523 176.870 -0.159 0.000 1.095 226 L CA 0.400 55.178 54.840 -0.103 0.000 0.770 226 L CB -0.157 41.808 42.059 -0.156 0.000 0.914 226 L HN 0.202 nan 8.230 nan 0.000 0.439 227 I N -0.471 119.965 120.570 -0.224 0.000 2.233 227 I HA -0.207 3.964 4.170 0.001 0.000 0.243 227 I C 2.404 178.169 176.117 -0.587 0.000 1.093 227 I CA 1.257 62.332 61.300 -0.376 0.000 1.380 227 I CB -0.242 37.483 38.000 -0.458 0.000 1.067 227 I HN 0.150 nan 8.210 nan 0.000 0.413 228 V N -2.793 116.776 119.914 -0.575 0.000 2.759 228 V HA -0.105 4.016 4.120 0.001 0.000 0.256 228 V C 2.045 178.064 176.094 -0.125 0.000 1.080 228 V CA 1.612 63.641 62.300 -0.451 0.000 1.101 228 V CB -0.627 31.067 31.823 -0.216 0.000 0.698 228 V HN 0.248 nan 8.190 nan 0.000 0.477 229 S N -0.320 115.313 115.700 -0.111 0.000 2.558 229 S HA 0.101 4.571 4.470 0.001 0.000 0.217 229 S C 0.556 175.141 174.600 -0.026 0.000 0.975 229 S CA 0.450 58.629 58.200 -0.035 0.000 0.912 229 S CB -0.469 62.715 63.200 -0.027 0.000 0.776 229 S HN 0.853 nan 8.310 nan 0.000 0.526 230 E N -0.146 120.022 120.200 -0.053 0.000 2.252 230 E HA -0.245 4.106 4.350 0.001 0.000 0.218 230 E C 0.256 176.837 176.600 -0.032 0.000 1.253 230 E CA 0.386 56.776 56.400 -0.016 0.000 0.705 230 E CB -1.481 28.247 29.700 0.046 0.000 1.172 230 E HN 0.539 nan 8.360 nan 0.000 0.369 231 A N -0.069 122.709 122.820 -0.070 0.000 2.701 231 A HA 0.208 4.529 4.320 0.001 0.000 0.241 231 A C 1.273 178.776 177.584 -0.135 0.000 1.231 231 A CA 0.108 52.094 52.037 -0.085 0.000 1.003 231 A CB 0.317 19.268 19.000 -0.081 0.000 1.281 231 A HN 0.198 nan 8.150 nan 0.000 0.600 232 L N 1.643 122.786 121.223 -0.134 0.000 2.021 232 L HA -0.071 4.270 4.340 0.001 0.000 0.215 232 L C -0.547 176.242 176.870 -0.135 0.000 1.074 232 L CA 3.254 58.001 54.840 -0.155 0.000 0.760 232 L CB -0.988 41.006 42.059 -0.108 0.000 0.889 232 L HN 0.304 nan 8.230 nan 0.000 0.433 233 P HA -0.111 nan 4.420 nan 0.000 0.230 233 P C 1.377 178.632 177.300 -0.075 0.000 1.158 233 P CA 1.648 64.708 63.100 -0.066 0.000 0.769 233 P CB -0.385 31.292 31.700 -0.038 0.000 0.807 234 T N -1.884 112.611 114.554 -0.100 0.000 2.851 234 T HA -0.003 4.348 4.350 0.001 0.000 0.262 234 T C 1.153 175.785 174.700 -0.112 0.000 1.043 234 T CA 0.611 62.656 62.100 -0.091 0.000 1.140 234 T CB -1.296 67.520 68.868 -0.086 0.000 0.872 234 T HN 0.018 nan 8.240 nan 0.000 0.446 235 V N 0.475 120.271 119.914 -0.196 0.000 2.953 235 V HA 0.424 4.545 4.120 0.001 0.000 0.304 235 V C 0.068 176.090 176.094 -0.120 0.000 1.073 235 V CA -1.116 61.059 62.300 -0.209 0.000 1.064 235 V CB 0.881 32.394 31.823 -0.517 0.000 1.047 235 V HN 0.266 nan 8.190 nan 0.000 0.478 236 D N 2.931 123.297 120.400 -0.057 0.000 2.383 236 D HA 0.106 4.746 4.640 0.001 0.000 0.245 236 D C 0.737 177.027 176.300 -0.017 0.000 1.263 236 D CA -0.206 53.779 54.000 -0.024 0.000 0.936 236 D CB 0.935 41.735 40.800 -0.000 0.000 1.053 236 D HN 0.689 nan 8.370 nan 0.000 0.507 237 M N 3.311 122.893 119.600 -0.029 0.000 2.267 237 M HA -0.009 4.472 4.480 0.001 0.000 0.263 237 M C 1.800 178.109 176.300 0.015 0.000 1.063 237 M CA 1.546 56.840 55.300 -0.011 0.000 1.090 237 M CB -0.446 32.148 32.600 -0.010 0.000 1.392 237 M HN 0.434 nan 8.290 nan 0.000 0.422 238 G N -1.462 107.345 108.800 0.010 0.000 2.404 238 G HA2 -0.115 3.846 3.960 0.001 0.000 0.215 238 G HA3 -0.115 3.846 3.960 0.001 0.000 0.215 238 G C 1.416 176.319 174.900 0.005 0.000 1.174 238 G CA 0.924 46.030 45.100 0.011 0.000 0.780 238 G HN 0.378 nan 8.290 nan 0.000 0.537 239 V N 1.154 121.072 119.914 0.007 0.000 2.427 239 V HA -0.159 3.962 4.120 0.001 0.000 0.248 239 V C 3.154 179.258 176.094 0.017 0.000 1.051 239 V CA 2.261 64.562 62.300 0.001 0.000 1.048 239 V CB -0.841 30.985 31.823 0.005 0.000 0.666 239 V HN 0.380 nan 8.190 nan 0.000 0.456 240 T N -0.601 113.992 114.554 0.065 0.000 2.746 240 T HA -0.243 4.107 4.350 0.001 0.000 0.267 240 T C 1.864 176.596 174.700 0.053 0.000 1.039 240 T CA 1.816 63.990 62.100 0.124 0.000 1.142 240 T CB -0.161 68.825 68.868 0.197 0.000 0.866 240 T HN 0.545 nan 8.240 nan 0.000 0.444 241 E N 0.746 120.959 120.200 0.022 0.000 2.072 241 E HA -0.116 4.234 4.350 0.001 0.000 0.191 241 E C 2.292 178.852 176.600 -0.067 0.000 0.985 241 E CA 0.900 57.289 56.400 -0.018 0.000 0.801 241 E CB 0.051 29.755 29.700 0.005 0.000 0.750 241 E HN 0.548 nan 8.360 nan 0.000 0.452 242 E N 0.173 120.340 120.200 -0.054 0.000 2.085 242 E HA -0.214 4.137 4.350 0.001 0.000 0.194 242 E C 2.198 178.730 176.600 -0.112 0.000 0.994 242 E CA 0.933 57.285 56.400 -0.080 0.000 0.801 242 E CB -0.069 29.590 29.700 -0.068 0.000 0.743 242 E HN 0.306 nan 8.360 nan 0.000 0.453 243 L N 0.518 121.680 121.223 -0.101 0.000 2.056 243 L HA -0.158 4.183 4.340 0.001 0.000 0.207 243 L C 2.604 179.390 176.870 -0.141 0.000 1.078 243 L CA 0.980 55.739 54.840 -0.134 0.000 0.749 243 L CB -0.424 41.572 42.059 -0.105 0.000 0.901 243 L HN 0.127 nan 8.230 nan 0.000 0.433 244 A N -0.357 122.403 122.820 -0.101 0.000 1.908 244 A HA -0.229 4.092 4.320 0.001 0.000 0.218 244 A C 2.282 179.735 177.584 -0.217 0.000 1.181 244 A CA 1.701 53.674 52.037 -0.105 0.000 0.627 244 A CB -0.347 18.610 19.000 -0.072 0.000 0.818 244 A HN 0.296 nan 8.150 nan 0.000 0.445 245 M N -1.322 118.140 119.600 -0.231 0.000 2.156 245 M HA -0.010 4.471 4.480 0.001 0.000 0.264 245 M C 2.143 178.338 176.300 -0.175 0.000 1.067 245 M CA 1.046 56.200 55.300 -0.242 0.000 1.131 245 M CB -1.454 31.011 32.600 -0.224 0.000 1.368 245 M HN 0.436 nan 8.290 nan 0.000 0.416 246 L N 0.779 121.902 121.223 -0.165 0.000 1.994 246 L HA -0.091 4.249 4.340 0.001 0.000 0.208 246 L C 2.297 179.094 176.870 -0.122 0.000 1.071 246 L CA 1.854 56.611 54.840 -0.137 0.000 0.745 246 L CB -0.625 41.317 42.059 -0.195 0.000 0.892 246 L HN 0.221 nan 8.230 nan 0.000 0.431 247 M N -1.231 118.230 119.600 -0.233 0.000 2.296 247 M HA -0.080 4.401 4.480 0.001 0.000 0.265 247 M C 2.057 178.011 176.300 -0.577 0.000 1.064 247 M CA 1.346 56.475 55.300 -0.285 0.000 1.109 247 M CB -0.875 31.450 32.600 -0.459 0.000 1.396 247 M HN 0.472 nan 8.290 nan 0.000 0.430 248 G N 0.095 108.553 108.800 -0.569 0.000 2.414 248 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 248 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 248 G C 1.302 176.222 174.900 0.034 0.000 1.188 248 G CA 0.800 45.724 45.100 -0.293 0.000 0.783 248 G HN 0.497 nan 8.290 nan 0.000 0.537 249 E N -0.590 119.633 120.200 0.039 0.000 2.033 249 E HA -0.264 4.086 4.350 0.001 0.000 0.199 249 E C 2.117 178.870 176.600 0.254 0.000 1.011 249 E CA 1.320 57.807 56.400 0.145 0.000 0.815 249 E CB -0.382 29.417 29.700 0.165 0.000 0.755 249 E HN 0.439 nan 8.360 nan 0.000 0.451 250 Y N 0.412 120.819 120.300 0.178 0.000 2.114 250 Y HA -0.310 4.240 4.550 0.001 0.000 0.282 250 Y C 2.006 178.025 175.900 0.197 0.000 1.165 250 Y CA 2.172 60.409 58.100 0.228 0.000 1.148 250 Y CB -0.822 37.739 38.460 0.169 0.000 0.972 250 Y HN 0.219 nan 8.280 nan 0.000 0.504 251 F N 0.967 120.898 119.950 -0.031 0.000 2.126 251 F HA -0.246 4.282 4.527 0.001 0.000 0.299 251 F C 2.431 178.204 175.800 -0.044 0.000 1.096 251 F CA 2.281 60.247 58.000 -0.055 0.000 1.255 251 F CB -0.607 38.495 39.000 0.171 0.000 0.997 251 F HN 0.200 nan 8.300 nan 0.000 0.479 252 Q N 0.153 119.997 119.800 0.074 0.000 2.245 252 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 252 Q C 1.988 177.991 176.000 0.005 0.000 0.955 252 Q CA 1.586 57.402 55.803 0.023 0.000 0.870 252 Q CB -0.467 28.348 28.738 0.127 0.000 0.945 252 Q HN 0.342 nan 8.270 nan 0.000 0.461 253 V N 0.657 120.562 119.914 -0.015 0.000 2.515 253 V HA -0.258 3.863 4.120 0.001 0.000 0.250 253 V C 2.108 178.087 176.094 -0.191 0.000 1.058 253 V CA 1.952 64.170 62.300 -0.137 0.000 1.064 253 V CB -0.520 31.042 31.823 -0.434 0.000 0.675 253 V HN 0.432 nan 8.190 nan 0.000 0.461 254 Q N -0.201 119.430 119.800 -0.283 0.000 2.046 254 Q HA -0.243 4.097 4.340 0.001 0.000 0.200 254 Q C 2.129 177.961 176.000 -0.279 0.000 0.975 254 Q CA 1.893 57.499 55.803 -0.329 0.000 0.836 254 Q CB -0.288 28.169 28.738 -0.469 0.000 0.896 254 Q HN 0.670 nan 8.270 nan 0.000 0.428 255 D N 0.756 120.965 120.400 -0.319 0.000 2.133 255 D HA -0.199 4.442 4.640 0.001 0.000 0.195 255 D C 1.239 177.486 176.300 -0.088 0.000 0.997 255 D CA 1.456 55.321 54.000 -0.226 0.000 0.840 255 D CB 0.019 40.685 40.800 -0.224 0.000 0.947 255 D HN 0.122 nan 8.370 nan 0.000 0.452 256 D N -0.706 119.680 120.400 -0.023 0.000 2.117 256 D HA -0.106 4.535 4.640 0.001 0.000 0.197 256 D C 2.224 178.544 176.300 0.033 0.000 0.987 256 D CA 0.629 54.665 54.000 0.060 0.000 0.829 256 D CB -0.262 40.642 40.800 0.174 0.000 0.961 256 D HN 0.182 nan 8.370 nan 0.000 0.460 257 V N 0.757 120.674 119.914 0.004 0.000 2.379 257 V HA -0.176 3.945 4.120 0.001 0.000 0.245 257 V C 2.406 178.522 176.094 0.037 0.000 1.044 257 V CA 1.163 63.493 62.300 0.051 0.000 1.036 257 V CB -0.377 31.401 31.823 -0.075 0.000 0.664 257 V HN 0.201 nan 8.190 nan 0.000 0.453 258 M N -0.062 119.508 119.600 -0.049 0.000 2.213 258 M HA -0.195 4.286 4.480 0.001 0.000 0.263 258 M C 1.953 178.232 176.300 -0.035 0.000 1.062 258 M CA 2.029 57.303 55.300 -0.043 0.000 1.105 258 M CB -0.679 31.864 32.600 -0.095 0.000 1.385 258 M HN 0.329 nan 8.290 nan 0.000 0.417 259 D N -0.344 120.031 120.400 -0.041 0.000 2.218 259 D HA -0.174 4.467 4.640 0.001 0.000 0.204 259 D C 2.012 178.269 176.300 -0.072 0.000 0.976 259 D CA 1.079 55.059 54.000 -0.033 0.000 0.853 259 D CB 0.177 40.977 40.800 -0.001 0.000 0.939 259 D HN 0.424 nan 8.370 nan 0.000 0.481 260 C N -1.474 117.731 119.300 -0.157 0.000 2.535 260 C HA 0.254 4.715 4.460 0.001 0.000 0.310 260 C C 1.830 176.530 174.990 -0.483 0.000 1.344 260 C CA -0.217 58.586 59.018 -0.358 0.000 1.831 260 C CB -1.126 26.282 27.740 -0.554 0.000 2.284 260 C HN 0.281 nan 8.230 nan 0.000 0.523 261 F N 0.955 120.908 119.950 0.005 0.000 2.602 261 F HA 0.261 4.788 4.527 0.001 0.000 0.284 261 F C 1.384 177.165 175.800 -0.031 0.000 1.111 261 F CA 0.374 58.366 58.000 -0.013 0.000 1.405 261 F CB -0.889 38.090 39.000 -0.036 0.000 1.121 261 F HN -0.105 nan 8.300 nan 0.000 0.603 262 T N 3.639 118.258 114.554 0.109 0.000 2.834 262 T HA 0.185 4.536 4.350 0.001 0.000 0.298 262 T C -2.365 172.350 174.700 0.024 0.000 0.966 262 T CA -1.061 61.065 62.100 0.044 0.000 1.141 262 T CB 0.636 69.504 68.868 -0.000 0.000 0.905 262 T HN -0.242 nan 8.240 nan 0.000 0.535 263 P HA 0.087 nan 4.420 nan 0.000 0.262 263 P C -1.800 175.502 177.300 0.004 0.000 1.182 263 P CA -1.151 61.956 63.100 0.013 0.000 0.761 263 P CB 0.161 31.868 31.700 0.011 0.000 0.795 264 P HA -0.248 nan 4.420 nan 0.000 0.218 264 P C 0.810 178.111 177.300 0.002 0.000 1.150 264 P CA 1.628 64.728 63.100 0.001 0.000 0.841 264 P CB -0.002 31.698 31.700 -0.000 0.000 0.784 265 E N -1.294 118.906 120.200 0.001 0.000 2.216 265 E HA -0.043 4.308 4.350 0.001 0.000 0.192 265 E C 2.300 178.900 176.600 -0.001 0.000 0.988 265 E CA 1.250 57.650 56.400 0.001 0.000 0.834 265 E CB -1.228 28.472 29.700 0.001 0.000 0.772 265 E HN 0.186 nan 8.360 nan 0.000 0.479 266 R N 0.583 121.081 120.500 -0.003 0.000 2.200 266 R HA 0.233 4.574 4.340 0.001 0.000 0.208 266 R C 1.975 178.268 176.300 -0.012 0.000 1.033 266 R CA 1.010 57.105 56.100 -0.008 0.000 1.000 266 R CB -0.947 29.347 30.300 -0.010 0.000 0.906 266 R HN 0.213 nan 8.270 nan 0.000 0.462 267 L N -1.654 119.563 121.223 -0.009 0.000 2.357 267 L HA 0.434 4.775 4.340 0.001 0.000 0.211 267 L C 1.721 178.590 176.870 -0.001 0.000 1.075 267 L CA 1.808 56.641 54.840 -0.012 0.000 0.830 267 L CB 0.514 42.565 42.059 -0.013 0.000 0.996 267 L HN 0.550 nan 8.230 nan 0.000 0.467 268 G N -0.020 108.782 108.800 0.004 0.000 2.157 268 G HA2 -0.270 3.691 3.960 0.001 0.000 0.248 268 G HA3 -0.270 3.691 3.960 0.001 0.000 0.248 268 G C 0.192 175.105 174.900 0.023 0.000 0.979 268 G CA 0.455 45.562 45.100 0.013 0.000 0.650 268 G HN 0.554 nan 8.290 nan 0.000 0.529 269 K N -1.345 119.066 120.400 0.020 0.000 2.562 269 K HA 0.684 5.005 4.320 0.001 0.000 0.267 269 K C -0.953 175.659 176.600 0.019 0.000 0.938 269 K CA -1.163 55.142 56.287 0.029 0.000 0.840 269 K CB 2.196 34.721 32.500 0.041 0.000 1.390 269 K HN 0.228 nan 8.250 nan 0.000 0.428 270 V N 2.159 122.087 119.914 0.022 0.000 2.385 270 V HA 0.313 4.434 4.120 0.001 0.000 0.269 270 V C 0.840 176.943 176.094 0.016 0.000 1.043 270 V CA -0.133 62.175 62.300 0.012 0.000 0.906 270 V CB 0.888 32.717 31.823 0.009 0.000 0.995 270 V HN 0.889 nan 8.190 nan 0.000 0.467 271 G N 3.465 112.267 108.800 0.004 0.000 2.484 271 G HA2 0.334 4.295 3.960 0.001 0.000 0.235 271 G HA3 0.334 4.295 3.960 0.001 0.000 0.235 271 G C 0.751 175.655 174.900 0.006 0.000 1.282 271 G CA 0.517 45.620 45.100 0.005 0.000 0.857 271 G HN 0.912 nan 8.290 nan 0.000 0.571 272 T N -1.887 112.677 114.554 0.016 0.000 3.087 272 T HA 0.145 4.496 4.350 0.001 0.000 0.283 272 T C 0.926 175.626 174.700 0.001 0.000 0.956 272 T CA 0.160 62.264 62.100 0.007 0.000 0.894 272 T CB 0.449 69.332 68.868 0.024 0.000 1.160 272 T HN 0.300 nan 8.240 nan 0.000 0.532 273 D N 2.307 122.726 120.400 0.031 0.000 2.104 273 D HA -0.020 4.620 4.640 0.001 0.000 0.194 273 D C 1.889 178.195 176.300 0.011 0.000 0.994 273 D CA 1.050 55.091 54.000 0.069 0.000 0.830 273 D CB -0.183 40.700 40.800 0.139 0.000 0.959 273 D HN 0.420 nan 8.370 nan 0.000 0.452 274 I N 0.363 120.929 120.570 -0.007 0.000 2.179 274 I HA -0.301 3.870 4.170 0.001 0.000 0.242 274 I C 2.254 178.116 176.117 -0.424 0.000 1.088 274 I CA 1.162 62.352 61.300 -0.183 0.000 1.357 274 I CB -0.166 37.806 38.000 -0.046 0.000 1.051 274 I HN -0.050 nan 8.210 nan 0.000 0.409 275 Q N 0.528 120.197 119.800 -0.219 0.000 2.119 275 Q HA -0.179 4.162 4.340 0.001 0.000 0.201 275 Q C 1.258 177.141 176.000 -0.195 0.000 0.972 275 Q CA 1.250 56.936 55.803 -0.195 0.000 0.847 275 Q CB -0.176 28.502 28.738 -0.101 0.000 0.903 275 Q HN 0.393 nan 8.270 nan 0.000 0.433 276 D N -0.350 119.964 120.400 -0.143 0.000 2.324 276 D HA 0.207 4.848 4.640 0.001 0.000 0.235 276 D C -0.098 176.141 176.300 -0.102 0.000 1.095 276 D CA 0.649 54.597 54.000 -0.087 0.000 0.871 276 D CB -0.118 40.672 40.800 -0.017 0.000 0.906 276 D HN 0.232 nan 8.370 nan 0.000 0.522 277 A N 0.585 123.232 122.820 -0.288 0.000 2.665 277 A HA -0.272 4.049 4.320 0.001 0.000 0.301 277 A C 0.521 178.284 177.584 0.298 0.000 1.509 277 A CA 0.699 52.598 52.037 -0.230 0.000 0.789 277 A CB -1.412 17.564 19.000 -0.040 0.000 1.024 277 A HN 0.039 nan 8.150 nan 0.000 0.460 278 K N -0.772 119.775 120.400 0.245 0.000 2.295 278 K HA 0.214 4.535 4.320 0.001 0.000 0.270 278 K C 0.561 177.356 176.600 0.325 0.000 1.011 278 K CA -0.070 56.372 56.287 0.259 0.000 0.953 278 K CB 0.886 33.489 32.500 0.173 0.000 0.956 278 K HN 0.730 nan 8.250 nan 0.000 0.477 279 C N 4.169 123.444 119.300 -0.041 0.000 2.400 279 C HA 0.135 4.596 4.460 0.001 0.000 0.457 279 C C 0.982 176.004 174.990 0.053 0.000 1.020 279 C CA -0.404 58.334 59.018 -0.467 0.000 1.258 279 C CB -2.365 24.929 27.740 -0.743 0.000 1.532 279 C HN 0.700 nan 8.230 nan 0.000 0.537 280 S N 3.088 118.902 115.700 0.190 0.000 2.661 280 S HA 0.262 4.733 4.470 0.001 0.000 0.265 280 S C 0.559 175.182 174.600 0.038 0.000 1.225 280 S CA -0.512 57.846 58.200 0.262 0.000 0.986 280 S CB 0.392 63.727 63.200 0.225 0.000 1.008 280 S HN 0.887 nan 8.310 nan 0.000 0.565 281 W N 0.605 121.707 121.300 -0.331 0.000 2.418 281 W HA 0.117 4.778 4.660 0.001 0.000 0.292 281 W C 1.651 177.908 176.519 -0.436 0.000 1.213 281 W CA 0.798 57.655 57.345 -0.813 0.000 1.283 281 W CB -0.558 28.482 29.460 -0.700 0.000 1.119 281 W HN 0.634 nan 8.180 nan 0.000 0.542 282 L N 0.620 121.700 121.223 -0.239 0.000 2.131 282 L HA -0.183 4.158 4.340 0.001 0.000 0.210 282 L C 2.638 179.153 176.870 -0.592 0.000 1.092 282 L CA 1.349 55.853 54.840 -0.560 0.000 0.759 282 L CB -1.260 40.394 42.059 -0.675 0.000 0.903 282 L HN 0.106 nan 8.230 nan 0.000 0.435 283 A N 0.065 122.733 122.820 -0.254 0.000 1.872 283 A HA -0.114 4.206 4.320 0.001 0.000 0.214 283 A C 2.284 179.786 177.584 -0.138 0.000 1.187 283 A CA 1.546 53.545 52.037 -0.063 0.000 0.614 283 A CB -0.756 18.423 19.000 0.299 0.000 0.826 283 A HN 0.279 nan 8.150 nan 0.000 0.442 284 V N -3.135 116.664 119.914 -0.192 0.000 2.667 284 V HA -0.080 4.041 4.120 0.001 0.000 0.252 284 V C 1.988 177.853 176.094 -0.382 0.000 1.065 284 V CA 2.481 64.659 62.300 -0.204 0.000 1.083 284 V CB -1.335 30.371 31.823 -0.195 0.000 0.692 284 V HN 0.367 nan 8.190 nan 0.000 0.468 285 T N 0.355 114.527 114.554 -0.637 0.000 2.978 285 T HA 0.076 4.427 4.350 0.001 0.000 0.262 285 T C 1.380 175.819 174.700 -0.435 0.000 1.063 285 T CA 1.603 63.284 62.100 -0.699 0.000 1.140 285 T CB -0.304 67.780 68.868 -1.307 0.000 0.886 285 T HN 0.596 nan 8.240 nan 0.000 0.470 286 F N 2.203 121.840 119.950 -0.521 0.000 2.039 286 F HA 0.071 4.599 4.527 0.001 0.000 0.294 286 F C 1.846 177.412 175.800 -0.389 0.000 1.130 286 F CA 1.103 58.861 58.000 -0.403 0.000 1.189 286 F CB -0.671 38.099 39.000 -0.384 0.000 0.983 286 F HN -0.020 nan 8.300 nan 0.000 0.471 287 L N 0.273 121.178 121.223 -0.530 0.000 2.189 287 L HA -0.248 4.093 4.340 0.001 0.000 0.214 287 L C 2.645 179.273 176.870 -0.403 0.000 1.097 287 L CA 1.127 55.638 54.840 -0.548 0.000 0.764 287 L CB -1.200 40.651 42.059 -0.346 0.000 0.900 287 L HN 0.352 nan 8.230 nan 0.000 0.436 288 A N 0.761 123.380 122.820 -0.334 0.000 2.014 288 A HA -0.159 4.162 4.320 0.001 0.000 0.218 288 A C 2.291 179.726 177.584 -0.248 0.000 1.163 288 A CA 1.623 53.513 52.037 -0.245 0.000 0.652 288 A CB -0.133 18.738 19.000 -0.214 0.000 0.808 288 A HN 0.570 nan 8.150 nan 0.000 0.449 289 K N -1.560 118.650 120.400 -0.317 0.000 2.387 289 K HA 0.545 4.866 4.320 0.001 0.000 0.197 289 K C 0.948 177.358 176.600 -0.317 0.000 1.127 289 K CA 0.459 56.589 56.287 -0.262 0.000 0.950 289 K CB -0.270 32.106 32.500 -0.207 0.000 1.017 289 K HN 0.203 nan 8.250 nan 0.000 0.519 290 A N 2.239 124.734 122.820 -0.542 0.000 2.536 290 A HA 0.203 4.524 4.320 0.001 0.000 0.234 290 A C 0.352 177.718 177.584 -0.364 0.000 1.076 290 A CA 0.172 51.854 52.037 -0.592 0.000 0.769 290 A CB 0.050 18.250 19.000 -1.333 0.000 1.020 290 A HN 0.551 nan 8.150 nan 0.000 0.508 291 S N 0.717 116.274 115.700 -0.238 0.000 2.672 291 S HA 0.396 4.867 4.470 0.001 0.000 0.276 291 S C 1.176 175.708 174.600 -0.114 0.000 1.207 291 S CA -0.034 58.081 58.200 -0.142 0.000 1.002 291 S CB 1.210 64.361 63.200 -0.082 0.000 0.998 291 S HN 0.816 nan 8.310 nan 0.000 0.542 292 S N 1.730 117.384 115.700 -0.076 0.000 2.406 292 S HA -0.298 4.172 4.470 0.001 0.000 0.242 292 S C 2.178 176.767 174.600 -0.018 0.000 1.079 292 S CA 1.948 60.122 58.200 -0.045 0.000 1.133 292 S CB -1.377 61.807 63.200 -0.028 0.000 1.005 292 S HN 1.018 nan 8.310 nan 0.000 0.443 293 A N 0.986 123.802 122.820 -0.006 0.000 1.898 293 A HA -0.165 4.156 4.320 0.001 0.000 0.216 293 A C 2.177 179.793 177.584 0.052 0.000 1.181 293 A CA 1.583 53.633 52.037 0.021 0.000 0.620 293 A CB -0.681 18.331 19.000 0.019 0.000 0.819 293 A HN 0.597 nan 8.150 nan 0.000 0.442 294 Q N -0.434 119.395 119.800 0.048 0.000 2.061 294 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 294 Q C 2.109 178.244 176.000 0.225 0.000 0.984 294 Q CA 1.847 57.740 55.803 0.150 0.000 0.846 294 Q CB -0.420 28.366 28.738 0.079 0.000 0.902 294 Q HN 0.485 nan 8.270 nan 0.000 0.421 295 V N 0.858 120.779 119.914 0.012 0.000 2.490 295 V HA -0.259 3.862 4.120 0.001 0.000 0.250 295 V C 2.158 178.348 176.094 0.160 0.000 1.061 295 V CA 1.660 63.973 62.300 0.021 0.000 1.064 295 V CB -0.939 30.807 31.823 -0.128 0.000 0.670 295 V HN 0.389 nan 8.190 nan 0.000 0.461 296 A N -0.262 122.625 122.820 0.112 0.000 1.854 296 A HA -0.223 4.098 4.320 0.001 0.000 0.214 296 A C 2.264 179.922 177.584 0.123 0.000 1.192 296 A CA 1.659 53.760 52.037 0.107 0.000 0.611 296 A CB -0.514 18.524 19.000 0.063 0.000 0.832 296 A HN 0.545 nan 8.150 nan 0.000 0.442 297 E N -1.570 118.703 120.200 0.122 0.000 2.265 297 E HA -0.180 4.171 4.350 0.001 0.000 0.196 297 E C 1.534 178.189 176.600 0.092 0.000 0.996 297 E CA 0.954 57.408 56.400 0.090 0.000 0.832 297 E CB -0.176 29.571 29.700 0.078 0.000 0.756 297 E HN 0.642 nan 8.360 nan 0.000 0.491 298 F N 1.422 121.367 119.950 -0.008 0.000 2.074 298 F HA -0.029 4.499 4.527 0.001 0.000 0.290 298 F C 1.863 177.613 175.800 -0.084 0.000 1.118 298 F CA 1.370 59.305 58.000 -0.109 0.000 1.199 298 F CB -0.050 38.919 39.000 -0.050 0.000 1.012 298 F HN -0.206 nan 8.300 nan 0.000 0.472 299 K N 0.207 120.652 120.400 0.075 0.000 2.286 299 K HA -0.120 4.201 4.320 0.001 0.000 0.203 299 K C 1.875 178.532 176.600 0.096 0.000 1.045 299 K CA 1.001 57.389 56.287 0.169 0.000 0.935 299 K CB -0.405 32.312 32.500 0.362 0.000 0.737 299 K HN 0.384 nan 8.250 nan 0.000 0.460 300 A N 0.670 123.506 122.820 0.027 0.000 2.195 300 A HA 0.051 4.371 4.320 0.001 0.000 0.210 300 A C 1.214 178.777 177.584 -0.034 0.000 1.165 300 A CA 0.455 52.497 52.037 0.010 0.000 0.806 300 A CB 0.147 19.158 19.000 0.019 0.000 0.847 300 A HN 0.238 nan 8.150 nan 0.000 0.482 301 N N -2.106 116.539 118.700 -0.091 0.000 2.143 301 N HA 0.114 4.855 4.740 0.001 0.000 0.222 301 N C -0.919 174.502 175.510 -0.147 0.000 1.264 301 N CA -0.073 52.911 53.050 -0.110 0.000 0.897 301 N CB 0.672 39.092 38.487 -0.110 0.000 1.092 301 N HN 0.433 nan 8.380 nan 0.000 0.516 302 Y N 1.388 121.435 120.300 -0.421 0.000 2.307 302 Y HA 0.398 4.949 4.550 0.001 0.000 0.324 302 Y C 1.285 177.062 175.900 -0.205 0.000 1.238 302 Y CA 0.561 58.368 58.100 -0.488 0.000 1.280 302 Y CB 1.050 38.875 38.460 -1.057 0.000 1.248 302 Y HN 0.258 nan 8.280 nan 0.000 0.508 303 G N 2.532 110.938 108.800 -0.656 0.000 2.225 303 G HA2 -0.197 3.764 3.960 0.001 0.000 0.264 303 G HA3 -0.197 3.764 3.960 0.001 0.000 0.264 303 G C -0.239 174.529 174.900 -0.219 0.000 1.060 303 G CA 0.502 45.355 45.100 -0.412 0.000 0.833 303 G HN 0.810 nan 8.290 nan 0.000 0.498 304 S N -2.074 113.500 115.700 -0.210 0.000 2.595 304 S HA 0.753 5.223 4.470 0.001 0.000 0.281 304 S C 1.363 175.897 174.600 -0.111 0.000 1.117 304 S CA 0.570 58.694 58.200 -0.126 0.000 0.873 304 S CB 1.483 64.625 63.200 -0.098 0.000 1.108 304 S HN 1.202 nan 8.310 nan 0.000 0.477 305 G N 0.932 109.687 108.800 -0.075 0.000 2.539 305 G HA2 0.060 4.021 3.960 0.001 0.000 0.215 305 G HA3 0.060 4.021 3.960 0.001 0.000 0.215 305 G C 0.380 175.247 174.900 -0.054 0.000 1.141 305 G CA 0.001 45.065 45.100 -0.060 0.000 0.806 305 G HN 0.736 nan 8.290 nan 0.000 0.533 306 D N 0.651 121.019 120.400 -0.053 0.000 2.583 306 D HA 0.033 4.674 4.640 0.001 0.000 0.232 306 D C 1.302 177.571 176.300 -0.052 0.000 1.128 306 D CA 0.170 54.142 54.000 -0.046 0.000 0.859 306 D CB 1.169 41.943 40.800 -0.044 0.000 1.169 306 D HN 0.026 nan 8.370 nan 0.000 0.481 307 S N 2.814 118.488 115.700 -0.043 0.000 2.387 307 S HA -0.159 4.312 4.470 0.001 0.000 0.226 307 S C 1.571 176.144 174.600 -0.046 0.000 1.026 307 S CA 1.002 59.176 58.200 -0.044 0.000 0.972 307 S CB -0.007 63.173 63.200 -0.033 0.000 0.814 307 S HN 0.672 nan 8.310 nan 0.000 0.477 308 E N 1.260 121.435 120.200 -0.041 0.000 2.268 308 E HA -0.081 4.270 4.350 0.001 0.000 0.195 308 E C 1.672 178.241 176.600 -0.052 0.000 0.995 308 E CA 0.709 57.086 56.400 -0.040 0.000 0.836 308 E CB -0.150 29.531 29.700 -0.031 0.000 0.763 308 E HN 0.389 nan 8.360 nan 0.000 0.491 309 K N 0.889 121.254 120.400 -0.059 0.000 2.076 309 K HA -0.016 4.305 4.320 0.001 0.000 0.204 309 K C 2.231 178.773 176.600 -0.098 0.000 1.051 309 K CA 0.904 57.146 56.287 -0.075 0.000 0.949 309 K CB 0.085 32.539 32.500 -0.076 0.000 0.726 309 K HN -0.026 nan 8.250 nan 0.000 0.443 310 V N 1.598 121.456 119.914 -0.093 0.000 2.307 310 V HA -0.244 3.876 4.120 0.001 0.000 0.245 310 V C 2.373 178.402 176.094 -0.109 0.000 1.045 310 V CA 2.029 64.266 62.300 -0.104 0.000 1.024 310 V CB -0.662 31.110 31.823 -0.086 0.000 0.651 310 V HN 0.332 nan 8.190 nan 0.000 0.449 311 A N -0.020 122.750 122.820 -0.082 0.000 1.873 311 A HA -0.293 4.028 4.320 0.001 0.000 0.218 311 A C 2.400 179.929 177.584 -0.092 0.000 1.193 311 A CA 2.826 54.820 52.037 -0.071 0.000 0.629 311 A CB -1.260 17.712 19.000 -0.046 0.000 0.826 311 A HN 0.507 nan 8.150 nan 0.000 0.447 312 T N -0.144 114.354 114.554 -0.093 0.000 2.653 312 T HA -0.185 4.166 4.350 0.001 0.000 0.268 312 T C 1.850 176.441 174.700 -0.181 0.000 1.035 312 T CA 1.890 63.928 62.100 -0.104 0.000 1.154 312 T CB -0.619 68.197 68.868 -0.087 0.000 0.862 312 T HN 0.201 nan 8.240 nan 0.000 0.441 313 V N 1.003 120.770 119.914 -0.246 0.000 2.427 313 V HA -0.136 3.985 4.120 0.001 0.000 0.248 313 V C 2.582 178.279 176.094 -0.661 0.000 1.051 313 V CA 1.591 63.615 62.300 -0.461 0.000 1.048 313 V CB -0.631 30.972 31.823 -0.366 0.000 0.666 313 V HN 0.338 nan 8.190 nan 0.000 0.456 314 R N -0.035 120.251 120.500 -0.356 0.000 2.070 314 R HA -0.167 4.174 4.340 0.001 0.000 0.232 314 R C 2.642 178.903 176.300 -0.066 0.000 1.138 314 R CA 1.817 57.792 56.100 -0.209 0.000 0.936 314 R CB -0.344 29.892 30.300 -0.107 0.000 0.839 314 R HN 0.363 nan 8.270 nan 0.000 0.429 315 R N 0.775 121.240 120.500 -0.059 0.000 2.115 315 R HA -0.197 4.144 4.340 0.001 0.000 0.239 315 R C 2.346 178.645 176.300 -0.001 0.000 1.133 315 R CA 2.012 58.113 56.100 0.003 0.000 0.935 315 R CB -0.679 29.610 30.300 -0.017 0.000 0.853 315 R HN 0.294 nan 8.270 nan 0.000 0.433 316 L N 0.044 121.200 121.223 -0.112 0.000 2.137 316 L HA -0.270 4.071 4.340 0.001 0.000 0.213 316 L C 2.529 179.369 176.870 -0.050 0.000 1.085 316 L CA 1.355 56.123 54.840 -0.121 0.000 0.760 316 L CB -0.609 41.272 42.059 -0.296 0.000 0.893 316 L HN 0.288 nan 8.230 nan 0.000 0.434 317 Y N 0.423 120.634 120.300 -0.148 0.000 2.114 317 Y HA -0.237 4.314 4.550 0.001 0.000 0.284 317 Y C 2.606 178.582 175.900 0.126 0.000 1.143 317 Y CA 1.089 59.170 58.100 -0.031 0.000 1.135 317 Y CB -0.797 37.719 38.460 0.093 0.000 0.980 317 Y HN 0.240 nan 8.280 nan 0.000 0.499 318 E N -0.014 120.392 120.200 0.343 0.000 2.038 318 E HA -0.228 4.122 4.350 0.001 0.000 0.195 318 E C 2.121 178.795 176.600 0.124 0.000 1.000 318 E CA 1.445 57.956 56.400 0.187 0.000 0.803 318 E CB -0.233 29.564 29.700 0.161 0.000 0.750 318 E HN 0.504 nan 8.360 nan 0.000 0.448 319 E N 0.089 120.362 120.200 0.122 0.000 2.114 319 E HA -0.242 4.109 4.350 0.001 0.000 0.199 319 E C 1.820 178.491 176.600 0.118 0.000 1.008 319 E CA 1.099 57.559 56.400 0.102 0.000 0.810 319 E CB -0.131 29.628 29.700 0.100 0.000 0.739 319 E HN 0.245 nan 8.360 nan 0.000 0.456 320 A N 1.038 123.968 122.820 0.184 0.000 2.238 320 A HA -0.059 4.261 4.320 0.001 0.000 0.208 320 A C 0.369 178.020 177.584 0.111 0.000 1.177 320 A CA 0.699 52.846 52.037 0.183 0.000 0.804 320 A CB -0.060 19.164 19.000 0.373 0.000 0.823 320 A HN 0.348 nan 8.150 nan 0.000 0.482 321 D N -1.296 119.161 120.400 0.095 0.000 2.927 321 D HA -0.161 4.480 4.640 0.001 0.000 0.236 321 D C 0.350 176.686 176.300 0.059 0.000 1.163 321 D CA 0.619 54.651 54.000 0.054 0.000 0.801 321 D CB -1.429 39.393 40.800 0.037 0.000 0.975 321 D HN 0.425 nan 8.370 nan 0.000 0.413 322 L N 0.839 122.104 121.223 0.070 0.000 2.341 322 L HA -0.028 4.312 4.340 0.001 0.000 0.214 322 L C 2.362 179.339 176.870 0.180 0.000 1.115 322 L CA 0.417 55.307 54.840 0.083 0.000 0.820 322 L CB -0.228 41.853 42.059 0.037 0.000 0.944 322 L HN 0.274 nan 8.230 nan 0.000 0.452 323 Q N 0.405 120.248 119.800 0.071 0.000 2.364 323 Q HA -0.105 4.236 4.340 0.001 0.000 0.209 323 Q C 2.065 178.165 176.000 0.167 0.000 0.977 323 Q CA 1.430 57.273 55.803 0.067 0.000 0.885 323 Q CB -0.215 28.457 28.738 -0.110 0.000 0.941 323 Q HN 0.448 nan 8.270 nan 0.000 0.464 324 G N -0.805 108.076 108.800 0.136 0.000 2.492 324 G HA2 -0.146 3.815 3.960 0.001 0.000 0.214 324 G HA3 -0.146 3.815 3.960 0.001 0.000 0.214 324 G C 0.768 175.773 174.900 0.176 0.000 1.147 324 G CA 0.524 45.701 45.100 0.128 0.000 0.809 324 G HN 0.309 nan 8.290 nan 0.000 0.533 325 D N -0.514 120.018 120.400 0.220 0.000 2.117 325 D HA -0.098 4.543 4.640 0.001 0.000 0.198 325 D C 1.830 178.383 176.300 0.420 0.000 0.982 325 D CA 0.593 54.754 54.000 0.269 0.000 0.828 325 D CB -0.258 40.669 40.800 0.212 0.000 0.967 325 D HN 0.326 nan 8.370 nan 0.000 0.464 326 Y N 1.536 122.089 120.300 0.420 0.000 2.053 326 Y HA -0.300 4.251 4.550 0.001 0.000 0.277 326 Y C 2.204 178.218 175.900 0.189 0.000 1.159 326 Y CA 1.383 59.631 58.100 0.248 0.000 1.125 326 Y CB -0.633 37.892 38.460 0.107 0.000 0.969 326 Y HN -0.168 nan 8.280 nan 0.000 0.492 327 V N 0.679 120.693 119.914 0.167 0.000 2.324 327 V HA -0.414 3.706 4.120 0.001 0.000 0.250 327 V C 2.677 178.771 176.094 -0.002 0.000 1.060 327 V CA 2.106 64.442 62.300 0.060 0.000 1.042 327 V CB -1.706 30.192 31.823 0.124 0.000 0.650 327 V HN 0.632 nan 8.190 nan 0.000 0.450 328 A N -1.204 121.653 122.820 0.062 0.000 1.933 328 A HA -0.264 4.057 4.320 0.001 0.000 0.218 328 A C 2.145 179.753 177.584 0.041 0.000 1.175 328 A CA 2.089 54.159 52.037 0.055 0.000 0.628 328 A CB -0.697 18.357 19.000 0.089 0.000 0.814 328 A HN 0.690 nan 8.150 nan 0.000 0.444 329 Y N 0.511 120.767 120.300 -0.073 0.000 2.220 329 Y HA -0.127 4.424 4.550 0.001 0.000 0.291 329 Y C 2.240 178.037 175.900 -0.171 0.000 1.129 329 Y CA 1.969 60.005 58.100 -0.106 0.000 1.161 329 Y CB -0.430 37.947 38.460 -0.139 0.000 0.997 329 Y HN 0.499 nan 8.280 nan 0.000 0.522 330 E N 0.109 120.048 120.200 -0.436 0.000 2.110 330 E HA -0.208 4.143 4.350 0.001 0.000 0.193 330 E C 2.218 178.681 176.600 -0.229 0.000 0.988 330 E CA 1.195 57.360 56.400 -0.391 0.000 0.804 330 E CB -0.310 29.223 29.700 -0.279 0.000 0.745 330 E HN 0.557 nan 8.360 nan 0.000 0.458 331 A N 1.166 123.904 122.820 -0.136 0.000 1.898 331 A HA -0.031 4.290 4.320 0.001 0.000 0.216 331 A C 2.411 179.903 177.584 -0.153 0.000 1.181 331 A CA 1.604 53.594 52.037 -0.078 0.000 0.620 331 A CB -0.788 18.192 19.000 -0.034 0.000 0.819 331 A HN 0.420 nan 8.150 nan 0.000 0.442 332 A N -0.294 122.416 122.820 -0.184 0.000 1.865 332 A HA -0.080 4.241 4.320 0.001 0.000 0.217 332 A C 2.254 179.669 177.584 -0.282 0.000 1.191 332 A CA 2.124 54.049 52.037 -0.187 0.000 0.623 332 A CB -1.149 17.770 19.000 -0.134 0.000 0.826 332 A HN 0.441 nan 8.150 nan 0.000 0.444 333 V N -0.081 119.569 119.914 -0.439 0.000 2.261 333 V HA -0.256 3.865 4.120 0.001 0.000 0.246 333 V C 3.077 178.852 176.094 -0.531 0.000 1.047 333 V CA 2.021 64.013 62.300 -0.513 0.000 1.015 333 V CB -1.547 29.856 31.823 -0.700 0.000 0.642 333 V HN 0.654 nan 8.190 nan 0.000 0.446 334 A N 0.934 123.508 122.820 -0.409 0.000 1.940 334 A HA -0.338 3.983 4.320 0.001 0.000 0.221 334 A C 2.233 179.559 177.584 -0.430 0.000 1.190 334 A CA 2.531 54.355 52.037 -0.354 0.000 0.647 334 A CB -0.607 18.331 19.000 -0.104 0.000 0.821 334 A HN 0.843 nan 8.150 nan 0.000 0.457 335 E N -1.217 118.796 120.200 -0.312 0.000 2.385 335 E HA -0.104 4.246 4.350 0.001 0.000 0.194 335 E C 1.953 178.384 176.600 -0.282 0.000 1.013 335 E CA 0.775 57.018 56.400 -0.263 0.000 0.866 335 E CB -0.275 29.319 29.700 -0.177 0.000 0.832 335 E HN 0.758 nan 8.360 nan 0.000 0.500 336 Q N 0.677 120.285 119.800 -0.320 0.000 2.137 336 Q HA -0.047 4.294 4.340 0.001 0.000 0.198 336 Q C 2.173 177.956 176.000 -0.362 0.000 0.960 336 Q CA 1.081 56.711 55.803 -0.289 0.000 0.847 336 Q CB 0.352 28.930 28.738 -0.267 0.000 0.915 336 Q HN 0.220 nan 8.270 nan 0.000 0.448 337 V N 1.119 120.704 119.914 -0.549 0.000 2.379 337 V HA -0.240 3.880 4.120 0.001 0.000 0.245 337 V C 2.271 178.036 176.094 -0.549 0.000 1.044 337 V CA 1.883 63.769 62.300 -0.689 0.000 1.036 337 V CB -0.475 30.537 31.823 -1.352 0.000 0.664 337 V HN 0.343 nan 8.190 nan 0.000 0.453 338 K N 0.348 120.447 120.400 -0.502 0.000 2.057 338 K HA -0.240 4.081 4.320 0.001 0.000 0.207 338 K C 2.054 178.510 176.600 -0.239 0.000 1.049 338 K CA 2.006 58.088 56.287 -0.341 0.000 0.931 338 K CB -0.144 32.188 32.500 -0.279 0.000 0.714 338 K HN 0.562 nan 8.250 nan 0.000 0.440 339 E N 0.695 120.761 120.200 -0.223 0.000 2.051 339 E HA -0.187 4.163 4.350 0.001 0.000 0.192 339 E C 2.175 178.686 176.600 -0.148 0.000 0.991 339 E CA 1.423 57.726 56.400 -0.162 0.000 0.799 339 E CB -0.113 29.497 29.700 -0.149 0.000 0.748 339 E HN 0.290 nan 8.360 nan 0.000 0.449 340 L N 0.771 121.889 121.223 -0.176 0.000 2.046 340 L HA -0.201 4.140 4.340 0.001 0.000 0.208 340 L C 2.462 179.258 176.870 -0.124 0.000 1.077 340 L CA 0.942 55.696 54.840 -0.144 0.000 0.747 340 L CB -0.304 41.655 42.059 -0.167 0.000 0.896 340 L HN 0.187 nan 8.230 nan 0.000 0.432 341 I N -0.636 119.838 120.570 -0.160 0.000 2.361 341 I HA -0.242 3.929 4.170 0.001 0.000 0.251 341 I C 2.479 178.543 176.117 -0.089 0.000 1.133 341 I CA 0.933 62.155 61.300 -0.130 0.000 1.413 341 I CB -0.238 37.662 38.000 -0.166 0.000 1.073 341 I HN 0.295 nan 8.210 nan 0.000 0.424 342 E N 0.960 121.103 120.200 -0.094 0.000 2.152 342 E HA -0.139 4.212 4.350 0.001 0.000 0.192 342 E C 2.059 178.629 176.600 -0.049 0.000 0.983 342 E CA 0.884 57.243 56.400 -0.068 0.000 0.818 342 E CB -0.024 29.631 29.700 -0.074 0.000 0.758 342 E HN 0.453 nan 8.360 nan 0.000 0.467 343 K N 0.161 120.529 120.400 -0.053 0.000 2.217 343 K HA -0.088 4.232 4.320 0.001 0.000 0.202 343 K C 2.088 178.678 176.600 -0.016 0.000 1.051 343 K CA 0.440 56.705 56.287 -0.036 0.000 0.952 343 K CB -0.008 32.466 32.500 -0.043 0.000 0.736 343 K HN 0.013 nan 8.250 nan 0.000 0.453 344 L N 1.090 122.307 121.223 -0.010 0.000 2.127 344 L HA -0.022 4.319 4.340 0.001 0.000 0.203 344 L C 2.297 179.189 176.870 0.037 0.000 1.080 344 L CA 1.320 56.179 54.840 0.032 0.000 0.768 344 L CB -0.235 41.857 42.059 0.056 0.000 0.924 344 L HN -0.041 nan 8.230 nan 0.000 0.444 345 R N -0.900 119.605 120.500 0.008 0.000 2.159 345 R HA -0.189 4.152 4.340 0.001 0.000 0.237 345 R C 2.122 178.427 176.300 0.008 0.000 1.131 345 R CA 1.393 57.496 56.100 0.007 0.000 0.982 345 R CB -0.253 30.037 30.300 -0.017 0.000 0.868 345 R HN 0.295 nan 8.270 nan 0.000 0.453 346 L N -0.290 120.933 121.223 0.001 0.000 1.990 346 L HA -0.275 4.066 4.340 0.001 0.000 0.213 346 L C 2.204 179.076 176.870 0.005 0.000 1.072 346 L CA 1.802 56.641 54.840 -0.002 0.000 0.755 346 L CB -0.599 41.456 42.059 -0.008 0.000 0.889 346 L HN 0.297 nan 8.230 nan 0.000 0.432 347 C N -2.988 116.318 119.300 0.010 0.000 2.912 347 C HA 0.294 4.755 4.460 0.001 0.000 0.274 347 C C 1.332 176.333 174.990 0.018 0.000 1.248 347 C CA -0.293 58.730 59.018 0.009 0.000 1.694 347 C CB -0.308 27.433 27.740 0.001 0.000 2.024 347 C HN 0.438 nan 8.230 nan 0.000 0.605 348 S N 0.377 116.102 115.700 0.041 0.000 2.386 348 S HA 0.290 4.760 4.470 0.001 0.000 0.152 348 S C -2.221 172.436 174.600 0.096 0.000 1.511 348 S CA -0.461 57.781 58.200 0.070 0.000 1.246 348 S CB 0.570 63.822 63.200 0.088 0.000 1.338 348 S HN 0.101 nan 8.310 nan 0.000 0.409 349 P HA 0.048 nan 4.420 nan 0.000 0.219 349 P C 1.644 178.974 177.300 0.051 0.000 1.150 349 P CA 0.826 63.950 63.100 0.040 0.000 0.814 349 P CB 0.069 31.782 31.700 0.022 0.000 0.787 350 G N -0.930 107.914 108.800 0.072 0.000 2.418 350 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 350 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 350 G C 1.354 176.326 174.900 0.121 0.000 1.158 350 G CA 0.288 45.435 45.100 0.078 0.000 0.771 350 G HN 0.162 nan 8.290 nan 0.000 0.545 351 F N 2.370 122.312 119.950 -0.014 0.000 2.163 351 F HA 0.189 4.717 4.527 0.001 0.000 0.297 351 F C 2.814 178.606 175.800 -0.014 0.000 1.094 351 F CA 0.810 58.801 58.000 -0.015 0.000 1.290 351 F CB -0.459 38.531 39.000 -0.017 0.000 1.017 351 F HN 0.229 nan 8.300 nan 0.000 0.483 352 A N 0.479 123.311 122.820 0.020 0.000 1.892 352 A HA -0.199 4.121 4.320 0.001 0.000 0.218 352 A C 2.460 179.975 177.584 -0.114 0.000 1.188 352 A CA 2.330 54.323 52.037 -0.074 0.000 0.631 352 A CB -1.615 17.377 19.000 -0.012 0.000 0.822 352 A HN 0.487 nan 8.150 nan 0.000 0.447 353 A N 0.200 122.979 122.820 -0.069 0.000 1.858 353 A HA -0.115 4.205 4.320 0.001 0.000 0.216 353 A C 2.552 180.081 177.584 -0.091 0.000 1.190 353 A CA 2.644 54.645 52.037 -0.060 0.000 0.617 353 A CB -1.173 17.809 19.000 -0.030 0.000 0.827 353 A HN 1.148 nan 8.150 nan 0.000 0.443 354 S N -0.400 115.225 115.700 -0.126 0.000 2.399 354 S HA -0.121 4.350 4.470 0.001 0.000 0.231 354 S C 1.707 176.181 174.600 -0.209 0.000 1.022 354 S CA 1.494 59.604 58.200 -0.150 0.000 0.983 354 S CB -0.872 62.242 63.200 -0.144 0.000 0.803 354 S HN 0.249 nan 8.310 nan 0.000 0.480 355 V N 1.923 121.642 119.914 -0.325 0.000 2.427 355 V HA -0.082 4.038 4.120 0.001 0.000 0.248 355 V C 2.773 178.816 176.094 -0.085 0.000 1.051 355 V CA 1.980 64.106 62.300 -0.290 0.000 1.048 355 V CB -0.736 30.843 31.823 -0.408 0.000 0.666 355 V HN 0.578 nan 8.190 nan 0.000 0.456 356 E N -0.195 119.969 120.200 -0.060 0.000 2.208 356 E HA -0.164 4.187 4.350 0.001 0.000 0.193 356 E C 2.190 178.841 176.600 0.085 0.000 0.988 356 E CA 1.397 57.824 56.400 0.045 0.000 0.828 356 E CB 0.057 29.762 29.700 0.009 0.000 0.763 356 E HN 0.598 nan 8.360 nan 0.000 0.478 357 T N 1.343 115.905 114.554 0.013 0.000 2.821 357 T HA -0.137 4.214 4.350 0.001 0.000 0.267 357 T C 1.703 176.411 174.700 0.013 0.000 1.046 357 T CA 0.727 62.828 62.100 0.001 0.000 1.139 357 T CB -0.131 68.717 68.868 -0.034 0.000 0.871 357 T HN 0.113 nan 8.240 nan 0.000 0.454 358 L N 0.828 122.066 121.223 0.024 0.000 2.046 358 L HA 0.050 4.390 4.340 0.001 0.000 0.208 358 L C 2.091 179.066 176.870 0.174 0.000 1.077 358 L CA 1.597 56.469 54.840 0.054 0.000 0.747 358 L CB -0.935 41.152 42.059 0.048 0.000 0.896 358 L HN 0.500 nan 8.230 nan 0.000 0.432 359 W N 0.476 121.795 121.300 0.033 0.000 2.354 359 W HA -0.159 4.502 4.660 0.001 0.000 0.315 359 W C 1.941 178.519 176.519 0.097 0.000 1.206 359 W CA 1.466 58.843 57.345 0.054 0.000 1.290 359 W CB -0.631 28.802 29.460 -0.046 0.000 1.152 359 W HN 0.335 nan 8.180 nan 0.000 0.489 360 G N 1.082 109.812 108.800 -0.117 0.000 2.475 360 G HA2 -0.317 3.643 3.960 0.001 0.000 0.220 360 G HA3 -0.317 3.643 3.960 0.001 0.000 0.220 360 G C 1.538 176.349 174.900 -0.149 0.000 1.125 360 G CA 1.041 46.028 45.100 -0.187 0.000 0.755 360 G HN 0.320 nan 8.290 nan 0.000 0.565 361 K N -0.251 120.098 120.400 -0.084 0.000 2.366 361 K HA 0.040 4.360 4.320 0.001 0.000 0.198 361 K C 2.317 178.900 176.600 -0.028 0.000 1.044 361 K CA 1.138 57.397 56.287 -0.047 0.000 0.973 361 K CB 0.128 32.608 32.500 -0.032 0.000 0.767 361 K HN 0.251 nan 8.250 nan 0.000 0.475 362 T N -0.359 114.152 114.554 -0.072 0.000 2.988 362 T HA -0.057 4.294 4.350 0.001 0.000 0.240 362 T C 0.107 174.743 174.700 -0.107 0.000 1.014 362 T CA -0.084 62.031 62.100 0.025 0.000 1.155 362 T CB -0.274 68.712 68.868 0.196 0.000 0.872 362 T HN 0.105 nan 8.240 nan 0.000 0.440 363 Y N 3.798 123.676 120.300 -0.703 0.000 2.852 363 Y HA -0.024 4.527 4.550 0.001 0.000 0.343 363 Y C 0.744 176.535 175.900 -0.182 0.000 1.280 363 Y CA -0.149 57.585 58.100 -0.611 0.000 1.604 363 Y CB -0.432 37.430 38.460 -0.998 0.000 1.216 363 Y HN 0.195 nan 8.280 nan 0.000 0.541 364 K N 2.872 122.955 120.400 -0.527 0.000 3.035 364 K HA -0.294 4.027 4.320 0.001 0.000 0.262 364 K C -0.070 176.408 176.600 -0.203 0.000 1.024 364 K CA 1.060 57.108 56.287 -0.399 0.000 0.748 364 K CB -1.040 31.122 32.500 -0.565 0.000 1.247 364 K HN 0.840 nan 8.250 nan 0.000 0.482 365 R N -0.045 120.367 120.500 -0.146 0.000 2.641 365 R HA 0.128 4.469 4.340 0.001 0.000 0.269 365 R C 0.710 176.946 176.300 -0.108 0.000 1.074 365 R CA -0.412 55.628 56.100 -0.100 0.000 1.133 365 R CB 0.526 30.792 30.300 -0.057 0.000 1.029 365 R HN 0.043 nan 8.270 nan 0.000 0.488 366 Q N 0.836 120.586 119.800 -0.082 0.000 2.391 366 Q HA 0.140 4.480 4.340 0.001 0.000 0.243 366 Q C -0.296 175.664 176.000 -0.066 0.000 0.874 366 Q CA 0.016 55.772 55.803 -0.078 0.000 0.950 366 Q CB 0.401 29.103 28.738 -0.060 0.000 1.103 366 Q HN 0.562 nan 8.270 nan 0.000 0.544 367 K N 0.000 120.369 120.400 -0.052 0.000 2.780 367 K HA 0.000 4.321 4.320 0.001 0.000 0.191 367 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 367 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 367 K HN 0.000 nan 8.250 nan 0.000 0.543