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 2zqp_1_Y DATA FIRST_RESID 1 DATA SEQUENCE MVKAFWSALQ IPELRQRVLF TLLVLAAYRL GAFIPTPGVD LDKIQEFLRT DATA SEQUENCE AQGGVFGIIN LFSGGNFERF SIFALGIMPY ITAAIIMQIL VTVVPALEKL DATA SEQUENCE SKEGEEGRRI INQYTRIGGI ALGAFQGFFL ATAFLGAEGG RFLLPGWSPG DATA SEQUENCE PFFWFVVVVT QVAGIALLLW MAERITEYGI GNGTSLIIFA GIVVEWLPQI DATA SEQUENCE LRTIGLIRTG EVNLVAFLFF LAFIVLAFAG MAAVQQAERR IPVQYARXXX DATA SEQUENCE XXXXYGGQAT YIPIKLNAAG VIPIIFAAAI LQIPIFLAAP FQDNPVLQGI DATA SEQUENCE ANFFNPTRPS GLFIEVLLVI LFTYVYTAVQ FDPKRIAESL REYGGFIPGI DATA SEQUENCE RPGEPTVKFL EHIVSRLTLW GALFLGLVTL LPQIIQNLTG IHSIAFSGIG DATA SEQUENCE LLIVVGVALD TLRQVESQLM LR 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 0.000 176.173 176.300 -0.211 0.000 1.140 1 M CA 0.000 55.210 55.300 -0.151 0.000 0.988 1 M CB 0.000 32.518 32.600 -0.137 0.000 1.302 2 V N 0.328 120.049 119.914 -0.322 0.000 2.672 2 V HA 0.150 4.286 4.120 0.026 0.000 0.242 2 V C 1.971 177.339 176.094 -1.210 0.000 1.059 2 V CA 1.964 63.916 62.300 -0.580 0.000 1.081 2 V CB 0.657 32.206 31.823 -0.456 0.000 0.752 2 V HN 0.518 nan 8.190 nan 0.000 0.472 3 K N 0.347 120.264 120.400 -0.805 0.000 2.243 3 K HA 0.262 4.598 4.320 0.026 0.000 0.201 3 K C 1.895 178.342 176.600 -0.255 0.000 1.051 3 K CA 1.336 57.256 56.287 -0.612 0.000 0.970 3 K CB -0.161 32.198 32.500 -0.235 0.000 0.755 3 K HN 0.501 nan 8.250 nan 0.000 0.465 4 A N 0.129 122.825 122.820 -0.208 0.000 1.898 4 A HA -0.040 4.295 4.320 0.026 0.000 0.214 4 A C 1.973 179.543 177.584 -0.022 0.000 1.183 4 A CA 1.030 53.021 52.037 -0.077 0.000 0.622 4 A CB -0.822 18.141 19.000 -0.062 0.000 0.824 4 A HN 0.477 nan 8.150 nan 0.000 0.444 5 F N -0.067 119.779 119.950 -0.174 0.000 2.192 5 F HA -0.226 4.317 4.527 0.026 0.000 0.301 5 F C 1.776 177.640 175.800 0.106 0.000 1.079 5 F CA 1.430 59.386 58.000 -0.074 0.000 1.303 5 F CB -0.342 38.581 39.000 -0.127 0.000 1.024 5 F HN 0.368 nan 8.300 nan 0.000 0.494 6 W N 0.679 121.729 121.300 -0.417 0.000 2.379 6 W HA -0.032 4.643 4.660 0.025 0.000 0.307 6 W C 2.736 179.088 176.519 -0.277 0.000 1.200 6 W CA 1.314 58.388 57.345 -0.452 0.000 1.297 6 W CB -1.716 27.616 29.460 -0.214 0.000 1.140 6 W HN 0.008 nan 8.180 nan 0.000 0.507 7 S N 0.042 115.781 115.700 0.066 0.000 2.522 7 S HA 0.123 4.609 4.470 0.026 0.000 0.227 7 S C 1.907 176.497 174.600 -0.017 0.000 0.986 7 S CA 0.761 58.972 58.200 0.019 0.000 0.929 7 S CB -0.237 62.979 63.200 0.028 0.000 0.769 7 S HN 0.195 nan 8.310 nan 0.000 0.529 8 A N 0.953 123.754 122.820 -0.032 0.000 2.016 8 A HA 0.172 4.507 4.320 0.026 0.000 0.217 8 A C 1.862 179.418 177.584 -0.046 0.000 1.162 8 A CA 0.571 52.596 52.037 -0.020 0.000 0.662 8 A CB -0.341 18.675 19.000 0.028 0.000 0.812 8 A HN 0.427 nan 8.150 nan 0.000 0.450 9 L N -0.530 120.623 121.223 -0.116 0.000 2.395 9 L HA 0.036 4.392 4.340 0.026 0.000 0.218 9 L C 1.864 178.688 176.870 -0.076 0.000 1.130 9 L CA 1.373 56.140 54.840 -0.122 0.000 0.826 9 L CB -0.322 41.594 42.059 -0.239 0.000 0.941 9 L HN 0.516 nan 8.230 nan 0.000 0.451 10 Q N -0.386 119.379 119.800 -0.058 0.000 2.329 10 Q HA 0.075 4.430 4.340 0.026 0.000 0.208 10 Q C -0.612 175.370 176.000 -0.030 0.000 0.934 10 Q CA -0.035 55.745 55.803 -0.040 0.000 0.951 10 Q CB 0.213 28.935 28.738 -0.027 0.000 1.017 10 Q HN 0.293 nan 8.270 nan 0.000 0.490 11 I N 1.584 122.136 120.570 -0.030 0.000 2.428 11 I HA 0.248 4.433 4.170 0.026 0.000 0.279 11 I C -2.153 173.948 176.117 -0.026 0.000 1.040 11 I CA -2.629 58.656 61.300 -0.025 0.000 1.171 11 I CB 1.190 39.178 38.000 -0.021 0.000 1.312 11 I HN -0.128 nan 8.210 nan 0.000 0.470 12 P HA -0.037 nan 4.420 nan 0.000 0.261 12 P C 0.956 178.237 177.300 -0.031 0.000 1.297 12 P CA 0.961 64.045 63.100 -0.025 0.000 0.757 12 P CB 0.358 32.045 31.700 -0.022 0.000 1.149 13 E N -1.305 118.873 120.200 -0.036 0.000 2.354 13 E HA 0.003 4.368 4.350 0.026 0.000 0.203 13 E C 1.551 178.121 176.600 -0.049 0.000 0.841 13 E CA -0.151 56.219 56.400 -0.051 0.000 1.046 13 E CB -0.249 29.417 29.700 -0.056 0.000 1.040 13 E HN -0.080 nan 8.360 nan 0.000 0.504 14 L N 2.314 123.517 121.223 -0.034 0.000 2.027 14 L HA -0.070 4.286 4.340 0.026 0.000 0.206 14 L C 2.436 179.301 176.870 -0.008 0.000 1.074 14 L CA 1.851 56.678 54.840 -0.021 0.000 0.745 14 L CB -0.903 41.149 42.059 -0.011 0.000 0.898 14 L HN 0.122 nan 8.230 nan 0.000 0.433 15 R N -0.650 119.842 120.500 -0.013 0.000 2.080 15 R HA -0.252 4.104 4.340 0.026 0.000 0.236 15 R C 2.282 178.582 176.300 0.000 0.000 1.137 15 R CA 2.103 58.198 56.100 -0.009 0.000 0.943 15 R CB -0.523 29.763 30.300 -0.023 0.000 0.846 15 R HN 0.571 nan 8.270 nan 0.000 0.431 16 Q N 0.393 120.185 119.800 -0.012 0.000 2.045 16 Q HA -0.233 4.123 4.340 0.026 0.000 0.206 16 Q C 2.188 178.191 176.000 0.005 0.000 0.991 16 Q CA 2.089 57.886 55.803 -0.009 0.000 0.851 16 Q CB -0.085 28.631 28.738 -0.037 0.000 0.911 16 Q HN 0.431 nan 8.270 nan 0.000 0.418 17 R N -0.474 120.014 120.500 -0.020 0.000 2.152 17 R HA -0.096 4.260 4.340 0.026 0.000 0.232 17 R C 2.162 178.489 176.300 0.046 0.000 1.117 17 R CA 1.291 57.382 56.100 -0.016 0.000 0.981 17 R CB -0.092 30.170 30.300 -0.062 0.000 0.870 17 R HN 0.214 nan 8.270 nan 0.000 0.451 18 V N 0.860 120.803 119.914 0.047 0.000 3.305 18 V HA -0.134 4.002 4.120 0.026 0.000 0.269 18 V C 1.701 177.841 176.094 0.075 0.000 1.157 18 V CA 1.010 63.351 62.300 0.068 0.000 1.157 18 V CB -0.320 31.555 31.823 0.086 0.000 0.772 18 V HN 0.144 nan 8.190 nan 0.000 0.498 19 L N -1.271 119.998 121.223 0.077 0.000 2.130 19 L HA 0.135 4.490 4.340 0.026 0.000 0.200 19 L C 2.073 178.996 176.870 0.089 0.000 1.075 19 L CA 1.526 56.408 54.840 0.071 0.000 0.768 19 L CB -0.942 41.152 42.059 0.058 0.000 0.933 19 L HN 0.289 nan 8.230 nan 0.000 0.451 20 F N 0.368 120.308 119.950 -0.016 0.000 2.184 20 F HA -0.315 4.227 4.527 0.025 0.000 0.301 20 F C 2.404 178.188 175.800 -0.027 0.000 1.076 20 F CA 1.916 59.903 58.000 -0.022 0.000 1.295 20 F CB -0.326 38.655 39.000 -0.033 0.000 1.026 20 F HN 0.045 nan 8.300 nan 0.000 0.494 21 T N 0.982 115.616 114.554 0.134 0.000 2.684 21 T HA -0.199 4.167 4.350 0.026 0.000 0.267 21 T C 2.063 176.757 174.700 -0.010 0.000 1.036 21 T CA 1.811 63.941 62.100 0.050 0.000 1.148 21 T CB -0.405 68.503 68.868 0.066 0.000 0.863 21 T HN 0.238 nan 8.240 nan 0.000 0.436 22 L N 0.515 121.741 121.223 0.005 0.000 2.042 22 L HA -0.080 4.276 4.340 0.026 0.000 0.210 22 L C 2.481 179.316 176.870 -0.059 0.000 1.076 22 L CA 1.066 55.906 54.840 0.001 0.000 0.749 22 L CB -0.598 41.469 42.059 0.015 0.000 0.893 22 L HN 0.255 nan 8.230 nan 0.000 0.432 23 L N -0.671 120.457 121.223 -0.159 0.000 2.013 23 L HA -0.254 4.101 4.340 0.026 0.000 0.212 23 L C 2.480 179.206 176.870 -0.240 0.000 1.073 23 L CA 1.279 55.969 54.840 -0.251 0.000 0.753 23 L CB -0.070 41.702 42.059 -0.479 0.000 0.890 23 L HN 0.010 nan 8.230 nan 0.000 0.432 24 V N -0.179 119.561 119.914 -0.291 0.000 2.270 24 V HA -0.310 3.825 4.120 0.026 0.000 0.245 24 V C 2.410 178.533 176.094 0.048 0.000 1.043 24 V CA 1.780 63.981 62.300 -0.164 0.000 1.014 24 V CB -0.355 31.339 31.823 -0.215 0.000 0.645 24 V HN 0.376 nan 8.190 nan 0.000 0.447 25 L N -0.059 121.216 121.223 0.087 0.000 2.030 25 L HA -0.342 4.013 4.340 0.026 0.000 0.222 25 L C 2.693 179.676 176.870 0.188 0.000 1.082 25 L CA 2.087 57.089 54.840 0.270 0.000 0.785 25 L CB -0.855 41.304 42.059 0.168 0.000 0.895 25 L HN 0.432 nan 8.230 nan 0.000 0.439 26 A N -0.233 122.628 122.820 0.068 0.000 1.842 26 A HA -0.266 4.070 4.320 0.026 0.000 0.217 26 A C 2.471 180.081 177.584 0.044 0.000 1.206 26 A CA 2.208 54.258 52.037 0.020 0.000 0.630 26 A CB -1.167 17.824 19.000 -0.015 0.000 0.839 26 A HN 0.461 nan 8.150 nan 0.000 0.447 27 A N -1.745 121.107 122.820 0.053 0.000 2.042 27 A HA -0.168 4.167 4.320 0.026 0.000 0.222 27 A C 2.081 179.804 177.584 0.232 0.000 1.167 27 A CA 2.108 54.198 52.037 0.089 0.000 0.649 27 A CB -0.771 18.265 19.000 0.060 0.000 0.809 27 A HN 1.031 nan 8.150 nan 0.000 0.457 28 Y N 0.037 120.436 120.300 0.165 0.000 2.231 28 Y HA 0.051 4.616 4.550 0.025 0.000 0.294 28 Y C 2.204 178.363 175.900 0.433 0.000 1.120 28 Y CA 1.592 59.907 58.100 0.357 0.000 1.141 28 Y CB -0.540 37.991 38.460 0.119 0.000 1.022 28 Y HN 0.212 nan 8.280 nan 0.000 0.523 29 R N 0.701 121.080 120.500 -0.202 0.000 2.189 29 R HA -0.087 4.268 4.340 0.026 0.000 0.223 29 R C 2.081 178.411 176.300 0.050 0.000 1.092 29 R CA 1.322 57.309 56.100 -0.188 0.000 0.989 29 R CB -0.762 29.448 30.300 -0.149 0.000 0.876 29 R HN 0.585 nan 8.270 nan 0.000 0.457 30 L N -0.683 120.559 121.223 0.032 0.000 1.988 30 L HA 0.108 4.463 4.340 0.026 0.000 0.207 30 L C 2.136 178.991 176.870 -0.026 0.000 1.071 30 L CA 2.322 57.156 54.840 -0.011 0.000 0.744 30 L CB -1.132 40.911 42.059 -0.026 0.000 0.893 30 L HN 0.216 nan 8.230 nan 0.000 0.433 31 G N -0.848 107.865 108.800 -0.144 0.000 2.499 31 G HA2 -0.256 3.720 3.960 0.026 0.000 0.221 31 G HA3 -0.256 3.720 3.960 0.026 0.000 0.221 31 G C 1.396 175.866 174.900 -0.716 0.000 1.109 31 G CA 0.610 45.237 45.100 -0.788 0.000 0.749 31 G HN 0.670 nan 8.290 nan 0.000 0.568 32 A N -0.868 121.918 122.820 -0.057 0.000 2.255 32 A HA 0.461 4.796 4.320 0.026 0.000 0.206 32 A C 1.341 178.955 177.584 0.050 0.000 1.193 32 A CA 0.356 52.468 52.037 0.125 0.000 0.794 32 A CB -0.272 18.820 19.000 0.153 0.000 0.794 32 A HN 0.302 nan 8.150 nan 0.000 0.481 33 F N -1.268 118.601 119.950 -0.134 0.000 2.767 33 F HA 0.386 4.928 4.527 0.026 0.000 0.323 33 F C 0.340 176.080 175.800 -0.099 0.000 1.091 33 F CA -0.527 57.420 58.000 -0.088 0.000 1.192 33 F CB 0.502 39.459 39.000 -0.071 0.000 1.056 33 F HN -0.013 nan 8.300 nan 0.000 0.571 34 I N 3.942 124.497 120.570 -0.026 0.000 2.308 34 I HA 0.178 4.364 4.170 0.026 0.000 0.293 34 I C -1.860 174.204 176.117 -0.088 0.000 1.078 34 I CA -1.930 59.331 61.300 -0.065 0.000 1.292 34 I CB 0.197 38.115 38.000 -0.137 0.000 1.423 34 I HN -0.204 nan 8.210 nan 0.000 0.493 35 P HA 0.001 nan 4.420 nan 0.000 0.278 35 P C -0.250 177.019 177.300 -0.051 0.000 1.268 35 P CA -0.084 62.997 63.100 -0.031 0.000 0.813 35 P CB 0.309 32.008 31.700 -0.002 0.000 1.180 36 T N 0.696 115.248 114.554 -0.004 0.000 2.779 36 T HA 0.294 4.659 4.350 0.026 0.000 0.280 36 T C -1.865 172.816 174.700 -0.033 0.000 0.987 36 T CA -1.208 60.888 62.100 -0.007 0.000 0.966 36 T CB 0.776 69.721 68.868 0.128 0.000 0.933 36 T HN 0.230 nan 8.240 nan 0.000 0.442 37 P HA 0.011 nan 4.420 nan 0.000 0.229 37 P C 1.054 178.155 177.300 -0.333 0.000 1.147 37 P CA 0.724 63.766 63.100 -0.098 0.000 0.766 37 P CB 0.029 31.705 31.700 -0.040 0.000 0.775 38 G N -3.017 105.574 108.800 -0.349 0.000 2.529 38 G HA2 0.047 4.022 3.960 0.026 0.000 0.174 38 G HA3 0.047 4.022 3.960 0.026 0.000 0.174 38 G C -0.160 174.497 174.900 -0.406 0.000 1.373 38 G CA 0.001 44.668 45.100 -0.720 0.000 0.820 38 G HN 0.042 nan 8.290 nan 0.000 0.962 39 V N 2.777 122.676 119.914 -0.025 0.000 2.470 39 V HA 0.160 4.295 4.120 0.026 0.000 0.276 39 V C 0.087 176.132 176.094 -0.082 0.000 1.040 39 V CA -0.642 61.628 62.300 -0.050 0.000 1.008 39 V CB 1.353 33.241 31.823 0.107 0.000 0.990 39 V HN 0.258 nan 8.190 nan 0.000 0.477 40 D N 4.426 124.759 120.400 -0.111 0.000 2.501 40 D HA -0.082 4.573 4.640 0.026 0.000 0.268 40 D C 1.073 177.365 176.300 -0.015 0.000 1.361 40 D CA 0.103 54.067 54.000 -0.059 0.000 1.258 40 D CB 0.336 41.097 40.800 -0.065 0.000 1.136 40 D HN 0.512 nan 8.370 nan 0.000 0.528 41 L N 3.740 124.964 121.223 0.001 0.000 2.064 41 L HA -0.279 4.077 4.340 0.026 0.000 0.216 41 L C 1.369 178.257 176.870 0.029 0.000 1.077 41 L CA 1.988 56.845 54.840 0.029 0.000 0.766 41 L CB -0.317 41.756 42.059 0.023 0.000 0.890 41 L HN 0.238 nan 8.230 nan 0.000 0.435 42 D N -0.527 119.881 120.400 0.014 0.000 2.354 42 D HA -0.152 4.503 4.640 0.026 0.000 0.216 42 D C 1.307 177.612 176.300 0.008 0.000 0.970 42 D CA 1.231 55.238 54.000 0.012 0.000 0.905 42 D CB -0.045 40.757 40.800 0.003 0.000 0.903 42 D HN 0.416 nan 8.370 nan 0.000 0.508 43 K N -0.644 119.760 120.400 0.007 0.000 2.676 43 K HA 0.222 4.557 4.320 0.026 0.000 0.205 43 K C 0.614 177.291 176.600 0.129 0.000 1.084 43 K CA -0.109 56.174 56.287 -0.007 0.000 1.057 43 K CB 0.964 33.406 32.500 -0.096 0.000 0.791 43 K HN 0.001 nan 8.250 nan 0.000 0.484 44 I N 0.604 121.277 120.570 0.171 0.000 2.899 44 I HA -0.077 4.109 4.170 0.026 0.000 0.257 44 I C 1.693 177.984 176.117 0.290 0.000 1.115 44 I CA 0.952 62.394 61.300 0.236 0.000 1.451 44 I CB 0.351 38.337 38.000 -0.024 0.000 1.251 44 I HN 0.114 nan 8.210 nan 0.000 0.456 45 Q N 0.676 120.591 119.800 0.193 0.000 1.554 45 Q HA -0.310 4.045 4.340 0.026 0.000 0.504 45 Q C 1.816 177.987 176.000 0.285 0.000 0.993 45 Q CA 1.980 57.904 55.803 0.201 0.000 0.887 45 Q CB -0.896 27.919 28.738 0.128 0.000 0.943 45 Q HN 0.486 nan 8.270 nan 0.000 0.379 46 E N 0.507 120.833 120.200 0.210 0.000 2.476 46 E HA -0.237 4.129 4.350 0.026 0.000 0.206 46 E C 1.453 178.196 176.600 0.238 0.000 1.079 46 E CA 0.553 57.064 56.400 0.184 0.000 0.891 46 E CB -0.176 29.592 29.700 0.112 0.000 0.821 46 E HN 0.432 nan 8.360 nan 0.000 0.572 47 F N 0.414 120.513 119.950 0.250 0.000 2.163 47 F HA -0.055 4.488 4.527 0.026 0.000 0.297 47 F C 1.715 177.720 175.800 0.342 0.000 1.094 47 F CA 0.945 59.148 58.000 0.338 0.000 1.290 47 F CB -0.005 39.385 39.000 0.651 0.000 1.017 47 F HN -0.018 nan 8.300 nan 0.000 0.483 48 L N 0.413 122.029 121.223 0.655 0.000 2.551 48 L HA 0.042 4.397 4.340 0.026 0.000 0.228 48 L C 1.171 178.227 176.870 0.310 0.000 1.153 48 L CA 0.506 55.671 54.840 0.541 0.000 0.851 48 L CB -0.565 41.795 42.059 0.502 0.000 0.959 48 L HN -0.011 nan 8.230 nan 0.000 0.451 49 R N 0.841 121.465 120.500 0.207 0.000 3.351 49 R HA 0.159 4.515 4.340 0.026 0.000 0.296 49 R C -0.020 176.318 176.300 0.063 0.000 1.427 49 R CA 0.023 56.203 56.100 0.134 0.000 1.257 49 R CB -0.001 30.371 30.300 0.120 0.000 1.378 49 R HN 0.277 nan 8.270 nan 0.000 0.610 50 T N -4.898 109.665 114.554 0.015 0.000 2.883 50 T HA 0.397 4.762 4.350 0.026 0.000 0.301 50 T C 0.327 174.990 174.700 -0.061 0.000 1.158 50 T CA -0.837 61.231 62.100 -0.053 0.000 1.007 50 T CB 2.005 70.774 68.868 -0.166 0.000 1.186 50 T HN 0.016 nan 8.240 nan 0.000 0.499 51 A N 0.700 123.488 122.820 -0.053 0.000 2.305 51 A HA 0.322 4.658 4.320 0.026 0.000 0.236 51 A C 0.988 178.519 177.584 -0.090 0.000 1.392 51 A CA 0.377 52.389 52.037 -0.043 0.000 1.205 51 A CB -1.041 17.947 19.000 -0.020 0.000 0.881 51 A HN 0.816 nan 8.150 nan 0.000 0.558 52 Q N -2.925 116.774 119.800 -0.169 0.000 2.038 52 Q HA 0.153 4.508 4.340 0.026 0.000 0.202 52 Q C 1.460 177.209 176.000 -0.418 0.000 0.690 52 Q CA 0.622 56.268 55.803 -0.261 0.000 0.834 52 Q CB 0.260 28.820 28.738 -0.296 0.000 1.250 52 Q HN 0.441 nan 8.270 nan 0.000 0.430 53 G N -0.327 108.225 108.800 -0.414 0.000 2.815 53 G HA2 0.215 4.190 3.960 0.026 0.000 0.215 53 G HA3 0.215 4.190 3.960 0.026 0.000 0.215 53 G C 1.010 176.018 174.900 0.180 0.000 1.054 53 G CA 0.409 45.443 45.100 -0.110 0.000 0.832 53 G HN 0.314 nan 8.290 nan 0.000 0.557 54 G N 1.234 110.063 108.800 0.049 0.000 2.848 54 G HA2 0.073 4.048 3.960 0.026 0.000 0.208 54 G HA3 0.073 4.048 3.960 0.026 0.000 0.208 54 G C 1.724 176.666 174.900 0.071 0.000 1.152 54 G CA 1.295 46.461 45.100 0.109 0.000 0.789 54 G HN 0.622 nan 8.290 nan 0.000 0.531 55 V N -2.813 117.081 119.914 -0.034 0.000 2.626 55 V HA 0.048 4.184 4.120 0.026 0.000 0.252 55 V C 2.212 178.271 176.094 -0.058 0.000 1.067 55 V CA 0.910 63.164 62.300 -0.078 0.000 1.081 55 V CB -0.997 30.716 31.823 -0.184 0.000 0.686 55 V HN 0.270 nan 8.190 nan 0.000 0.468 56 F N 2.433 122.403 119.950 0.033 0.000 2.664 56 F HA 0.145 4.686 4.527 0.024 0.000 0.297 56 F C 2.498 178.292 175.800 -0.010 0.000 1.164 56 F CA 0.628 58.633 58.000 0.009 0.000 1.472 56 F CB -0.704 38.374 39.000 0.130 0.000 1.108 56 F HN 0.310 nan 8.300 nan 0.000 0.596 57 G N 0.687 109.602 108.800 0.191 0.000 2.550 57 G HA2 -0.343 3.632 3.960 0.026 0.000 0.222 57 G HA3 -0.343 3.632 3.960 0.026 0.000 0.222 57 G C 1.579 176.567 174.900 0.146 0.000 1.113 57 G CA 1.280 46.473 45.100 0.156 0.000 0.748 57 G HN 0.415 nan 8.290 nan 0.000 0.585 58 I N -0.169 120.474 120.570 0.121 0.000 2.480 58 I HA 0.128 4.313 4.170 0.026 0.000 0.251 58 I C 2.318 178.500 176.117 0.107 0.000 1.124 58 I CA 0.328 61.711 61.300 0.138 0.000 1.444 58 I CB -0.030 37.995 38.000 0.040 0.000 1.098 58 I HN 0.180 nan 8.210 nan 0.000 0.428 59 I N 0.505 121.036 120.570 -0.064 0.000 2.252 59 I HA -0.259 3.926 4.170 0.026 0.000 0.245 59 I C 2.159 178.260 176.117 -0.026 0.000 1.102 59 I CA 1.539 62.710 61.300 -0.215 0.000 1.385 59 I CB -0.600 37.008 38.000 -0.653 0.000 1.064 59 I HN 0.254 nan 8.210 nan 0.000 0.414 60 N N 0.426 119.156 118.700 0.051 0.000 2.036 60 N HA -0.256 4.500 4.740 0.026 0.000 0.195 60 N C 1.785 177.415 175.510 0.199 0.000 1.037 60 N CA 2.095 55.290 53.050 0.241 0.000 0.855 60 N CB -0.523 38.125 38.487 0.269 0.000 1.033 60 N HN 0.404 nan 8.380 nan 0.000 0.423 61 L N -0.213 121.129 121.223 0.197 0.000 1.933 61 L HA -0.113 4.243 4.340 0.026 0.000 0.220 61 L C 1.902 178.850 176.870 0.130 0.000 1.078 61 L CA 1.829 56.758 54.840 0.149 0.000 0.773 61 L CB -1.277 40.877 42.059 0.158 0.000 0.890 61 L HN 0.158 nan 8.230 nan 0.000 0.434 62 F N 0.102 120.057 119.950 0.008 0.000 2.161 62 F HA -0.214 4.329 4.527 0.026 0.000 0.300 62 F C 2.824 178.632 175.800 0.013 0.000 1.089 62 F CA 1.440 59.436 58.000 -0.007 0.000 1.282 62 F CB -1.437 37.539 39.000 -0.039 0.000 1.010 62 F HN 0.342 nan 8.300 nan 0.000 0.485 63 S N -0.630 115.207 115.700 0.228 0.000 2.368 63 S HA 0.144 4.630 4.470 0.026 0.000 0.225 63 S C 1.673 176.379 174.600 0.176 0.000 1.030 63 S CA 0.847 59.155 58.200 0.179 0.000 0.999 63 S CB -0.711 62.612 63.200 0.206 0.000 0.844 63 S HN 0.641 nan 8.310 nan 0.000 0.459 64 G N -0.368 108.520 108.800 0.148 0.000 2.462 64 G HA2 0.423 4.398 3.960 0.026 0.000 0.124 64 G HA3 0.423 4.398 3.960 0.026 0.000 0.124 64 G C 0.811 175.755 174.900 0.074 0.000 1.062 64 G CA 0.206 45.363 45.100 0.095 0.000 0.764 64 G HN 1.570 nan 8.290 nan 0.000 0.485 65 G N -0.113 108.743 108.800 0.094 0.000 2.257 65 G HA2 -0.414 3.561 3.960 0.026 0.000 0.267 65 G HA3 -0.414 3.561 3.960 0.026 0.000 0.267 65 G C 1.284 176.235 174.900 0.084 0.000 0.984 65 G CA 1.159 46.304 45.100 0.076 0.000 0.626 65 G HN 0.820 nan 8.290 nan 0.000 0.540 66 N N -0.594 118.175 118.700 0.117 0.000 2.289 66 N HA -0.059 4.696 4.740 0.026 0.000 0.184 66 N C 1.805 177.405 175.510 0.149 0.000 1.016 66 N CA 1.402 54.520 53.050 0.112 0.000 0.872 66 N CB -0.179 38.427 38.487 0.199 0.000 0.973 66 N HN 0.574 nan 8.380 nan 0.000 0.433 67 F N 2.213 122.219 119.950 0.094 0.000 2.187 67 F HA -0.037 4.505 4.527 0.025 0.000 0.295 67 F C 2.545 178.453 175.800 0.179 0.000 1.091 67 F CA 1.012 59.098 58.000 0.143 0.000 1.308 67 F CB -0.079 39.000 39.000 0.131 0.000 1.030 67 F HN -0.031 nan 8.300 nan 0.000 0.487 68 E N 1.030 121.380 120.200 0.250 0.000 2.017 68 E HA -0.275 4.091 4.350 0.026 0.000 0.193 68 E C 2.298 178.943 176.600 0.075 0.000 0.997 68 E CA 1.760 58.262 56.400 0.171 0.000 0.804 68 E CB -0.241 29.572 29.700 0.188 0.000 0.757 68 E HN 0.521 nan 8.360 nan 0.000 0.448 69 R N -0.516 120.015 120.500 0.052 0.000 2.285 69 R HA -0.108 4.248 4.340 0.026 0.000 0.213 69 R C 0.539 176.886 176.300 0.078 0.000 1.068 69 R CA 0.770 56.885 56.100 0.026 0.000 1.004 69 R CB -0.619 29.648 30.300 -0.055 0.000 0.873 69 R HN 0.195 nan 8.270 nan 0.000 0.467 70 F N 2.408 122.253 119.950 -0.175 0.000 3.040 70 F HA -0.281 4.261 4.527 0.025 0.000 0.298 70 F C 0.277 175.997 175.800 -0.133 0.000 0.948 70 F CA 0.486 58.343 58.000 -0.238 0.000 1.022 70 F CB -1.721 37.113 39.000 -0.276 0.000 1.023 70 F HN 0.366 nan 8.300 nan 0.000 0.742 71 S N 0.844 116.443 115.700 -0.168 0.000 2.598 71 S HA 0.306 4.791 4.470 0.026 0.000 0.256 71 S C 1.861 176.293 174.600 -0.279 0.000 1.350 71 S CA -0.293 57.796 58.200 -0.186 0.000 0.984 71 S CB 0.658 63.788 63.200 -0.116 0.000 0.930 71 S HN 0.793 nan 8.310 nan 0.000 0.577 72 I N -2.536 117.878 120.570 -0.259 0.000 2.614 72 I HA 0.075 4.261 4.170 0.026 0.000 0.258 72 I C 1.318 177.425 176.117 -0.017 0.000 1.189 72 I CA 1.249 62.415 61.300 -0.224 0.000 1.462 72 I CB -0.594 37.265 38.000 -0.235 0.000 1.092 72 I HN 0.572 nan 8.210 nan 0.000 0.442 73 F N 1.215 121.136 119.950 -0.049 0.000 2.664 73 F HA 0.410 4.952 4.527 0.025 0.000 0.301 73 F C 2.481 178.282 175.800 0.003 0.000 1.126 73 F CA -0.301 57.705 58.000 0.010 0.000 1.373 73 F CB 0.053 39.103 39.000 0.084 0.000 1.042 73 F HN 0.125 nan 8.300 nan 0.000 0.535 74 A N 1.215 124.069 122.820 0.055 0.000 1.869 74 A HA -0.241 4.094 4.320 0.026 0.000 0.218 74 A C 2.040 179.791 177.584 0.278 0.000 1.203 74 A CA 1.726 53.785 52.037 0.036 0.000 0.638 74 A CB -0.921 17.810 19.000 -0.449 0.000 0.831 74 A HN 0.471 nan 8.150 nan 0.000 0.450 75 L N -1.412 119.924 121.223 0.189 0.000 2.376 75 L HA 0.158 4.514 4.340 0.026 0.000 0.219 75 L C 1.848 178.785 176.870 0.111 0.000 1.133 75 L CA 0.447 55.396 54.840 0.182 0.000 0.816 75 L CB -1.020 41.109 42.059 0.117 0.000 0.933 75 L HN 0.804 nan 8.230 nan 0.000 0.449 76 G N 1.099 109.982 108.800 0.137 0.000 2.523 76 G HA2 -0.396 3.579 3.960 0.026 0.000 0.271 76 G HA3 -0.396 3.579 3.960 0.026 0.000 0.271 76 G C 0.153 175.051 174.900 -0.004 0.000 1.146 76 G CA 0.299 45.448 45.100 0.082 0.000 0.961 76 G HN 0.199 nan 8.290 nan 0.000 0.549 77 I N 1.207 121.756 120.570 -0.036 0.000 3.569 77 I HA 0.410 4.596 4.170 0.026 0.000 0.334 77 I C 1.902 178.010 176.117 -0.015 0.000 1.570 77 I CA -0.035 61.230 61.300 -0.058 0.000 1.082 77 I CB 0.102 38.023 38.000 -0.133 0.000 1.323 77 I HN 0.473 nan 8.210 nan 0.000 0.489 78 M N 1.469 121.061 119.600 -0.013 0.000 2.074 78 M HA 0.110 4.606 4.480 0.026 0.000 0.259 78 M C -0.744 175.556 176.300 0.000 0.000 1.079 78 M CA 1.399 56.673 55.300 -0.043 0.000 1.119 78 M CB -2.635 29.902 32.600 -0.105 0.000 1.297 78 M HN 0.040 nan 8.290 nan 0.000 0.416 79 P HA -0.103 nan 4.420 nan 0.000 0.311 79 P C 0.042 177.418 177.300 0.127 0.000 1.543 79 P CA 1.021 64.159 63.100 0.063 0.000 0.766 79 P CB -0.984 30.765 31.700 0.083 0.000 1.711 80 Y N -1.022 119.265 120.300 -0.022 0.000 2.448 80 Y HA 0.185 4.750 4.550 0.026 0.000 0.257 80 Y C 1.438 177.315 175.900 -0.038 0.000 1.089 80 Y CA 0.110 58.202 58.100 -0.013 0.000 1.245 80 Y CB 0.637 39.090 38.460 -0.012 0.000 1.282 80 Y HN -0.192 nan 8.280 nan 0.000 0.529 81 I N -0.830 119.747 120.570 0.011 0.000 3.526 81 I HA 0.049 4.234 4.170 0.026 0.000 0.294 81 I C 1.374 177.410 176.117 -0.135 0.000 1.229 81 I CA 0.786 62.022 61.300 -0.105 0.000 1.408 81 I CB -1.123 36.788 38.000 -0.149 0.000 1.127 81 I HN 0.082 nan 8.210 nan 0.000 0.439 82 T N 1.480 115.978 114.554 -0.093 0.000 3.148 82 T HA 0.186 4.551 4.350 0.026 0.000 0.253 82 T C 1.509 176.184 174.700 -0.042 0.000 1.134 82 T CA 0.798 62.860 62.100 -0.064 0.000 1.051 82 T CB 0.077 68.908 68.868 -0.061 0.000 0.959 82 T HN 0.359 nan 8.240 nan 0.000 0.525 83 A N 0.257 123.030 122.820 -0.079 0.000 2.430 83 A HA 0.754 5.090 4.320 0.026 0.000 0.243 83 A C 1.938 179.452 177.584 -0.117 0.000 1.254 83 A CA 0.266 52.246 52.037 -0.094 0.000 0.914 83 A CB -0.081 18.842 19.000 -0.128 0.000 0.998 83 A HN 0.396 nan 8.150 nan 0.000 0.515 84 A N -0.767 122.007 122.820 -0.076 0.000 2.303 84 A HA 0.404 4.740 4.320 0.026 0.000 0.217 84 A C 1.603 179.362 177.584 0.291 0.000 1.205 84 A CA 0.618 52.675 52.037 0.033 0.000 0.875 84 A CB -0.206 18.763 19.000 -0.052 0.000 0.910 84 A HN 0.509 nan 8.150 nan 0.000 0.501 85 I N -1.260 119.450 120.570 0.234 0.000 2.947 85 I HA 0.087 4.273 4.170 0.026 0.000 0.263 85 I C 1.889 178.079 176.117 0.121 0.000 1.130 85 I CA 0.513 61.964 61.300 0.252 0.000 1.448 85 I CB 0.128 38.295 38.000 0.278 0.000 1.222 85 I HN 0.225 nan 8.210 nan 0.000 0.453 86 I N 0.807 121.419 120.570 0.071 0.000 2.315 86 I HA -0.322 3.864 4.170 0.026 0.000 0.251 86 I C 2.459 178.593 176.117 0.029 0.000 1.125 86 I CA 1.187 62.508 61.300 0.035 0.000 1.392 86 I CB -0.199 37.808 38.000 0.011 0.000 1.065 86 I HN 0.412 nan 8.210 nan 0.000 0.424 87 M N -0.094 119.526 119.600 0.034 0.000 2.248 87 M HA -0.137 4.359 4.480 0.026 0.000 0.265 87 M C 2.138 178.473 176.300 0.059 0.000 1.079 87 M CA 1.649 56.968 55.300 0.032 0.000 1.150 87 M CB -0.513 32.095 32.600 0.014 0.000 1.366 87 M HN 0.239 nan 8.290 nan 0.000 0.433 88 Q N -0.199 119.656 119.800 0.092 0.000 2.439 88 Q HA -0.087 4.268 4.340 0.026 0.000 0.211 88 Q C 1.752 177.784 176.000 0.053 0.000 0.978 88 Q CA 0.948 56.803 55.803 0.086 0.000 0.897 88 Q CB 0.011 28.797 28.738 0.080 0.000 0.956 88 Q HN 0.558 nan 8.270 nan 0.000 0.483 89 I N -0.619 119.979 120.570 0.047 0.000 2.703 89 I HA -0.147 4.038 4.170 0.026 0.000 0.259 89 I C 1.471 177.599 176.117 0.018 0.000 1.151 89 I CA 0.546 61.862 61.300 0.026 0.000 1.470 89 I CB 0.194 38.209 38.000 0.024 0.000 1.112 89 I HN 0.083 nan 8.210 nan 0.000 0.437 90 L N 0.234 121.469 121.223 0.020 0.000 2.645 90 L HA 0.086 4.441 4.340 0.026 0.000 0.234 90 L C 1.618 178.500 176.870 0.020 0.000 1.165 90 L CA -0.034 54.812 54.840 0.010 0.000 0.944 90 L CB 0.430 42.488 42.059 -0.002 0.000 1.149 90 L HN 0.074 nan 8.230 nan 0.000 0.446 91 V N -1.444 118.490 119.914 0.034 0.000 3.212 91 V HA -0.055 4.080 4.120 0.026 0.000 0.244 91 V C 1.976 178.103 176.094 0.054 0.000 1.151 91 V CA 1.525 63.855 62.300 0.050 0.000 1.119 91 V CB 0.869 32.735 31.823 0.072 0.000 0.838 91 V HN 0.455 nan 8.190 nan 0.000 0.470 92 T N -1.431 113.146 114.554 0.039 0.000 3.023 92 T HA 0.060 4.425 4.350 0.026 0.000 0.249 92 T C 1.666 176.382 174.700 0.025 0.000 1.050 92 T CA 0.746 62.869 62.100 0.038 0.000 1.088 92 T CB 0.663 69.537 68.868 0.010 0.000 0.946 92 T HN 0.181 nan 8.240 nan 0.000 0.480 93 V N 1.599 121.521 119.914 0.014 0.000 2.951 93 V HA 0.083 4.218 4.120 0.026 0.000 0.255 93 V C 0.836 176.934 176.094 0.007 0.000 1.088 93 V CA 0.771 63.075 62.300 0.007 0.000 1.109 93 V CB -0.014 31.809 31.823 -0.000 0.000 0.724 93 V HN 0.261 nan 8.190 nan 0.000 0.471 94 V N 2.782 122.702 119.914 0.011 0.000 2.217 94 V HA 0.272 4.407 4.120 0.026 0.000 0.264 94 V C -2.314 173.790 176.094 0.017 0.000 1.107 94 V CA -1.303 61.002 62.300 0.007 0.000 0.913 94 V CB 0.668 32.490 31.823 -0.002 0.000 1.153 94 V HN 0.372 nan 8.190 nan 0.000 0.469 95 P HA 0.394 nan 4.420 nan 0.000 0.220 95 P C 0.468 177.774 177.300 0.010 0.000 1.806 95 P CA 0.306 63.421 63.100 0.025 0.000 0.976 95 P CB 0.656 32.371 31.700 0.025 0.000 1.952 96 A N -0.074 122.751 122.820 0.009 0.000 2.604 96 A HA 0.053 4.388 4.320 0.026 0.000 0.157 96 A C 1.191 178.779 177.584 0.007 0.000 1.680 96 A CA 0.077 52.114 52.037 0.000 0.000 1.227 96 A CB -0.700 18.299 19.000 -0.002 0.000 1.493 96 A HN 0.225 nan 8.150 nan 0.000 0.453 97 L N 0.988 122.221 121.223 0.016 0.000 2.141 97 L HA 0.037 4.393 4.340 0.026 0.000 0.209 97 L C 2.056 178.947 176.870 0.035 0.000 1.094 97 L CA 2.452 57.307 54.840 0.026 0.000 0.763 97 L CB -0.341 41.735 42.059 0.029 0.000 0.908 97 L HN 0.613 nan 8.230 nan 0.000 0.437 98 E N -0.625 119.596 120.200 0.034 0.000 2.072 98 E HA -0.250 4.116 4.350 0.026 0.000 0.190 98 E C 2.152 178.745 176.600 -0.012 0.000 0.982 98 E CA 0.820 57.236 56.400 0.026 0.000 0.803 98 E CB 0.062 29.785 29.700 0.038 0.000 0.755 98 E HN 0.374 nan 8.360 nan 0.000 0.453 99 K N 0.256 120.640 120.400 -0.027 0.000 2.152 99 K HA -0.182 4.153 4.320 0.026 0.000 0.206 99 K C 2.237 178.829 176.600 -0.014 0.000 1.048 99 K CA 0.794 57.058 56.287 -0.038 0.000 0.933 99 K CB -0.021 32.458 32.500 -0.036 0.000 0.721 99 K HN 0.078 nan 8.250 nan 0.000 0.447 100 L N 0.212 121.437 121.223 0.004 0.000 2.023 100 L HA -0.115 4.240 4.340 0.026 0.000 0.205 100 L C 2.361 179.246 176.870 0.024 0.000 1.073 100 L CA 1.693 56.544 54.840 0.018 0.000 0.745 100 L CB -0.767 41.310 42.059 0.031 0.000 0.900 100 L HN 0.075 nan 8.230 nan 0.000 0.435 101 S N -0.662 115.056 115.700 0.030 0.000 2.419 101 S HA -0.200 4.285 4.470 0.026 0.000 0.233 101 S C 1.874 176.490 174.600 0.027 0.000 1.016 101 S CA 1.596 59.821 58.200 0.040 0.000 0.974 101 S CB -0.191 63.044 63.200 0.057 0.000 0.786 101 S HN 0.632 nan 8.310 nan 0.000 0.492 102 K N 0.126 120.529 120.400 0.004 0.000 2.367 102 K HA 0.255 4.590 4.320 0.026 0.000 0.195 102 K C 0.955 177.545 176.600 -0.016 0.000 1.060 102 K CA 0.022 56.303 56.287 -0.011 0.000 1.022 102 K CB -0.097 32.376 32.500 -0.045 0.000 0.894 102 K HN 0.214 nan 8.250 nan 0.000 0.540 103 E N 2.031 122.222 120.200 -0.014 0.000 2.346 103 E HA 0.130 4.495 4.350 0.026 0.000 0.317 103 E C -0.535 176.065 176.600 0.000 0.000 1.404 103 E CA 0.127 56.520 56.400 -0.012 0.000 1.534 103 E CB -0.524 29.168 29.700 -0.013 0.000 1.309 103 E HN 0.516 nan 8.360 nan 0.000 0.499 104 G N 2.051 110.853 108.800 0.004 0.000 2.692 104 G HA2 -0.258 3.718 3.960 0.026 0.000 0.686 104 G HA3 -0.258 3.718 3.960 0.026 0.000 0.686 104 G C 0.290 175.201 174.900 0.019 0.000 1.243 104 G CA -0.131 44.976 45.100 0.011 0.000 0.782 104 G HN 0.496 nan 8.290 nan 0.000 0.625 105 E N -0.349 119.864 120.200 0.023 0.000 2.418 105 E HA -0.012 4.353 4.350 0.026 0.000 0.197 105 E C 1.182 177.804 176.600 0.036 0.000 1.026 105 E CA 1.223 57.642 56.400 0.032 0.000 0.862 105 E CB 0.137 29.856 29.700 0.031 0.000 0.799 105 E HN 0.667 nan 8.360 nan 0.000 0.518 106 E N 0.610 120.828 120.200 0.031 0.000 2.320 106 E HA 0.079 4.444 4.350 0.026 0.000 0.189 106 E C 0.532 177.155 176.600 0.038 0.000 1.100 106 E CA 0.134 56.554 56.400 0.033 0.000 1.009 106 E CB 0.643 30.358 29.700 0.026 0.000 1.145 106 E HN 0.469 nan 8.360 nan 0.000 0.454 107 G N 0.548 109.374 108.800 0.042 0.000 3.829 107 G HA2 0.025 4.001 3.960 0.026 0.000 0.279 107 G HA3 0.025 4.001 3.960 0.026 0.000 0.279 107 G C 1.037 175.974 174.900 0.062 0.000 1.008 107 G CA -0.295 44.834 45.100 0.048 0.000 0.840 107 G HN 0.041 nan 8.290 nan 0.000 0.474 108 R N -0.056 120.485 120.500 0.067 0.000 2.487 108 R HA 0.299 4.654 4.340 0.026 0.000 0.272 108 R C 2.033 178.389 176.300 0.093 0.000 0.928 108 R CA -0.247 55.903 56.100 0.083 0.000 1.077 108 R CB 0.083 30.431 30.300 0.079 0.000 1.265 108 R HN 0.220 nan 8.270 nan 0.000 0.537 109 R N 0.875 121.422 120.500 0.079 0.000 2.061 109 R HA -0.062 4.294 4.340 0.026 0.000 0.230 109 R C 1.879 178.231 176.300 0.086 0.000 1.140 109 R CA 1.565 57.710 56.100 0.075 0.000 0.940 109 R CB -0.361 29.970 30.300 0.052 0.000 0.839 109 R HN 0.179 nan 8.270 nan 0.000 0.429 110 I N 1.044 121.672 120.570 0.096 0.000 2.113 110 I HA -0.393 3.792 4.170 0.026 0.000 0.242 110 I C 2.422 178.682 176.117 0.238 0.000 1.057 110 I CA 1.735 63.127 61.300 0.152 0.000 1.314 110 I CB -0.273 37.849 38.000 0.203 0.000 1.022 110 I HN 0.336 nan 8.210 nan 0.000 0.408 111 I N 0.660 121.344 120.570 0.189 0.000 2.068 111 I HA -0.401 3.784 4.170 0.026 0.000 0.238 111 I C 2.219 178.441 176.117 0.174 0.000 1.046 111 I CA 1.810 63.212 61.300 0.170 0.000 1.306 111 I CB -0.687 37.385 38.000 0.120 0.000 1.023 111 I HN 0.343 nan 8.210 nan 0.000 0.399 112 N N 0.409 119.209 118.700 0.166 0.000 2.137 112 N HA -0.208 4.548 4.740 0.026 0.000 0.190 112 N C 1.817 177.459 175.510 0.220 0.000 1.017 112 N CA 1.220 54.401 53.050 0.219 0.000 0.859 112 N CB -0.337 38.261 38.487 0.185 0.000 1.002 112 N HN 0.423 nan 8.380 nan 0.000 0.428 113 Q N -0.587 119.290 119.800 0.128 0.000 2.137 113 Q HA 0.032 4.388 4.340 0.026 0.000 0.198 113 Q C 1.738 177.741 176.000 0.004 0.000 0.960 113 Q CA 0.851 56.676 55.803 0.038 0.000 0.847 113 Q CB -0.410 28.286 28.738 -0.070 0.000 0.915 113 Q HN 0.512 nan 8.270 nan 0.000 0.448 114 Y N 1.053 121.397 120.300 0.074 0.000 2.314 114 Y HA -0.109 4.456 4.550 0.025 0.000 0.293 114 Y C 2.437 178.366 175.900 0.047 0.000 1.129 114 Y CA 1.452 59.584 58.100 0.054 0.000 1.201 114 Y CB -0.311 38.170 38.460 0.036 0.000 0.999 114 Y HN 0.094 nan 8.280 nan 0.000 0.541 115 T N -0.636 114.027 114.554 0.182 0.000 2.915 115 T HA -0.145 4.220 4.350 0.026 0.000 0.269 115 T C 1.968 176.751 174.700 0.138 0.000 1.071 115 T CA 1.126 63.230 62.100 0.006 0.000 1.132 115 T CB -0.071 68.666 68.868 -0.218 0.000 0.878 115 T HN 0.268 nan 8.240 nan 0.000 0.479 116 R N 0.170 120.859 120.500 0.315 0.000 2.080 116 R HA 0.185 4.540 4.340 0.026 0.000 0.222 116 R C 2.373 178.786 176.300 0.187 0.000 1.107 116 R CA 0.758 57.066 56.100 0.346 0.000 0.980 116 R CB -0.206 30.229 30.300 0.225 0.000 0.879 116 R HN 0.376 nan 8.270 nan 0.000 0.439 117 I N -0.433 120.209 120.570 0.121 0.000 2.315 117 I HA -0.124 4.062 4.170 0.026 0.000 0.248 117 I C 2.421 178.603 176.117 0.109 0.000 1.117 117 I CA 1.289 62.639 61.300 0.084 0.000 1.404 117 I CB -0.497 37.531 38.000 0.046 0.000 1.071 117 I HN 0.295 nan 8.210 nan 0.000 0.419 118 G N 0.717 109.598 108.800 0.135 0.000 2.418 118 G HA2 -0.191 3.785 3.960 0.026 0.000 0.217 118 G HA3 -0.191 3.785 3.960 0.026 0.000 0.217 118 G C 1.719 176.696 174.900 0.128 0.000 1.158 118 G CA 0.767 45.945 45.100 0.129 0.000 0.771 118 G HN 0.500 nan 8.290 nan 0.000 0.545 119 G N 0.332 109.221 108.800 0.149 0.000 2.625 119 G HA2 0.010 3.985 3.960 0.026 0.000 0.214 119 G HA3 0.010 3.985 3.960 0.026 0.000 0.214 119 G C 1.534 176.527 174.900 0.156 0.000 1.132 119 G CA 0.498 45.719 45.100 0.202 0.000 0.782 119 G HN 0.487 nan 8.290 nan 0.000 0.538 120 I N 0.146 120.783 120.570 0.112 0.000 2.927 120 I HA 0.128 4.313 4.170 0.026 0.000 0.268 120 I C 3.003 179.134 176.117 0.023 0.000 1.153 120 I CA 0.602 61.936 61.300 0.058 0.000 1.459 120 I CB 0.071 38.091 38.000 0.033 0.000 1.149 120 I HN 0.152 nan 8.210 nan 0.000 0.443 121 A N 1.503 124.351 122.820 0.047 0.000 1.873 121 A HA -0.085 4.250 4.320 0.026 0.000 0.215 121 A C 2.281 179.917 177.584 0.087 0.000 1.186 121 A CA 1.152 53.191 52.037 0.003 0.000 0.616 121 A CB -0.780 18.305 19.000 0.142 0.000 0.823 121 A HN 0.301 nan 8.150 nan 0.000 0.442 122 L N -0.549 120.825 121.223 0.252 0.000 2.013 122 L HA -0.182 4.173 4.340 0.026 0.000 0.212 122 L C 2.632 179.641 176.870 0.233 0.000 1.073 122 L CA 1.365 56.402 54.840 0.329 0.000 0.753 122 L CB -0.929 41.242 42.059 0.188 0.000 0.890 122 L HN 0.506 nan 8.230 nan 0.000 0.432 123 G N -1.125 107.750 108.800 0.126 0.000 2.776 123 G HA2 0.073 4.048 3.960 0.026 0.000 0.209 123 G HA3 0.073 4.048 3.960 0.026 0.000 0.209 123 G C 1.387 176.314 174.900 0.044 0.000 1.145 123 G CA 0.627 45.782 45.100 0.092 0.000 0.791 123 G HN 0.467 nan 8.290 nan 0.000 0.530 124 A N -0.582 122.209 122.820 -0.048 0.000 2.252 124 A HA 0.540 4.876 4.320 0.026 0.000 0.213 124 A C 1.568 179.039 177.584 -0.188 0.000 1.188 124 A CA 0.106 52.044 52.037 -0.166 0.000 0.863 124 A CB 0.038 18.845 19.000 -0.321 0.000 0.893 124 A HN 0.219 nan 8.150 nan 0.000 0.495 125 F N -0.815 119.217 119.950 0.136 0.000 2.437 125 F HA 0.140 4.680 4.527 0.022 0.000 0.288 125 F C 2.303 178.285 175.800 0.303 0.000 1.085 125 F CA 1.021 59.140 58.000 0.197 0.000 1.430 125 F CB -0.261 38.798 39.000 0.098 0.000 1.120 125 F HN 0.239 nan 8.300 nan 0.000 0.556 126 Q N 0.111 120.166 119.800 0.425 0.000 2.436 126 Q HA -0.026 4.330 4.340 0.026 0.000 0.209 126 Q C 2.121 178.369 176.000 0.413 0.000 0.965 126 Q CA 1.177 57.232 55.803 0.419 0.000 0.910 126 Q CB -0.180 28.733 28.738 0.290 0.000 0.980 126 Q HN 0.464 nan 8.270 nan 0.000 0.491 127 G N -0.503 108.487 108.800 0.317 0.000 2.545 127 G HA2 -0.180 3.795 3.960 0.026 0.000 0.212 127 G HA3 -0.180 3.795 3.960 0.026 0.000 0.212 127 G C 0.940 175.960 174.900 0.200 0.000 1.144 127 G CA -0.217 45.029 45.100 0.244 0.000 0.813 127 G HN 0.462 nan 8.290 nan 0.000 0.531 128 F N 0.294 120.318 119.950 0.124 0.000 2.494 128 F HA 0.158 4.698 4.527 0.020 0.000 0.298 128 F C 1.608 177.501 175.800 0.155 0.000 1.106 128 F CA 0.879 58.933 58.000 0.091 0.000 1.452 128 F CB 0.056 39.145 39.000 0.150 0.000 1.085 128 F HN 0.173 nan 8.300 nan 0.000 0.569 129 F N -1.409 118.547 119.950 0.009 0.000 2.514 129 F HA 0.073 4.615 4.527 0.024 0.000 0.281 129 F C 1.727 177.464 175.800 -0.104 0.000 1.060 129 F CA -0.004 57.953 58.000 -0.072 0.000 1.397 129 F CB -0.174 38.895 39.000 0.115 0.000 1.129 129 F HN -0.137 nan 8.300 nan 0.000 0.620 130 L N 0.790 121.959 121.223 -0.090 0.000 2.353 130 L HA -0.007 4.348 4.340 0.026 0.000 0.220 130 L C 2.063 178.791 176.870 -0.238 0.000 1.133 130 L CA 1.621 56.374 54.840 -0.145 0.000 0.798 130 L CB -0.802 41.327 42.059 0.118 0.000 0.922 130 L HN 0.249 nan 8.230 nan 0.000 0.445 131 A N -2.059 120.571 122.820 -0.317 0.000 1.871 131 A HA -0.067 4.268 4.320 0.026 0.000 0.211 131 A C 2.135 179.378 177.584 -0.568 0.000 1.207 131 A CA 1.414 53.186 52.037 -0.441 0.000 0.620 131 A CB -0.853 17.812 19.000 -0.558 0.000 0.860 131 A HN 0.375 nan 8.150 nan 0.000 0.450 132 T N 0.003 114.140 114.554 -0.694 0.000 2.946 132 T HA 0.112 4.477 4.350 0.026 0.000 0.271 132 T C 1.497 175.982 174.700 -0.359 0.000 1.104 132 T CA 1.576 63.292 62.100 -0.640 0.000 1.114 132 T CB -0.072 68.447 68.868 -0.583 0.000 0.867 132 T HN 0.613 nan 8.240 nan 0.000 0.513 133 A N -1.142 121.443 122.820 -0.391 0.000 2.141 133 A HA 0.523 4.858 4.320 0.026 0.000 0.196 133 A C 1.375 178.843 177.584 -0.194 0.000 1.502 133 A CA -0.394 51.460 52.037 -0.305 0.000 1.075 133 A CB -0.118 18.575 19.000 -0.512 0.000 1.217 133 A HN 0.431 nan 8.150 nan 0.000 0.477 134 F N 0.520 120.207 119.950 -0.439 0.000 2.304 134 F HA 0.239 4.781 4.527 0.024 0.000 0.267 134 F C 1.729 177.246 175.800 -0.472 0.000 1.062 134 F CA 0.704 58.428 58.000 -0.460 0.000 1.112 134 F CB -0.070 38.612 39.000 -0.530 0.000 1.118 134 F HN 0.054 nan 8.300 nan 0.000 0.575 135 L N 0.762 121.300 121.223 -1.141 0.000 1.994 135 L HA -0.085 4.271 4.340 0.026 0.000 0.208 135 L C 2.733 179.440 176.870 -0.271 0.000 1.071 135 L CA 1.501 55.691 54.840 -1.084 0.000 0.745 135 L CB -1.587 39.975 42.059 -0.828 0.000 0.892 135 L HN 0.491 nan 8.230 nan 0.000 0.431 136 G N -0.318 108.426 108.800 -0.093 0.000 2.464 136 G HA2 -0.233 3.742 3.960 0.026 0.000 0.214 136 G HA3 -0.233 3.742 3.960 0.026 0.000 0.214 136 G C 1.774 176.741 174.900 0.112 0.000 1.218 136 G CA 0.805 46.004 45.100 0.165 0.000 0.794 136 G HN 0.440 nan 8.290 nan 0.000 0.542 137 A N 0.769 123.621 122.820 0.053 0.000 2.042 137 A HA -0.119 4.216 4.320 0.026 0.000 0.222 137 A C 2.187 179.811 177.584 0.065 0.000 1.167 137 A CA 2.118 54.195 52.037 0.067 0.000 0.649 137 A CB -0.320 18.698 19.000 0.031 0.000 0.809 137 A HN 0.416 nan 8.150 nan 0.000 0.457 138 E N -1.143 119.090 120.200 0.055 0.000 2.152 138 E HA 0.227 4.592 4.350 0.026 0.000 0.192 138 E C 1.368 177.984 176.600 0.026 0.000 0.983 138 E CA 0.860 57.290 56.400 0.049 0.000 0.818 138 E CB -0.224 29.513 29.700 0.062 0.000 0.758 138 E HN 0.757 nan 8.360 nan 0.000 0.467 139 G N -0.081 108.739 108.800 0.032 0.000 2.317 139 G HA2 -0.143 3.833 3.960 0.026 0.000 0.196 139 G HA3 -0.143 3.833 3.960 0.026 0.000 0.196 139 G C 0.344 175.234 174.900 -0.016 0.000 1.255 139 G CA -0.329 44.779 45.100 0.013 0.000 1.243 139 G HN 0.268 nan 8.290 nan 0.000 0.535 140 G N 0.346 109.118 108.800 -0.045 0.000 3.530 140 G HA2 0.429 4.405 3.960 0.026 0.000 0.269 140 G HA3 0.429 4.405 3.960 0.026 0.000 0.269 140 G C 1.014 175.846 174.900 -0.114 0.000 1.314 140 G CA 1.101 46.152 45.100 -0.080 0.000 1.441 140 G HN 0.679 nan 8.290 nan 0.000 0.595 141 R N -0.306 120.113 120.500 -0.135 0.000 2.055 141 R HA 0.032 4.387 4.340 0.026 0.000 0.228 141 R C 1.063 177.117 176.300 -0.411 0.000 1.143 141 R CA 1.100 57.025 56.100 -0.292 0.000 0.945 141 R CB -0.136 29.934 30.300 -0.383 0.000 0.841 141 R HN 0.381 nan 8.270 nan 0.000 0.429 142 F N 0.641 120.433 119.950 -0.263 0.000 2.765 142 F HA 0.276 4.819 4.527 0.026 0.000 0.302 142 F C 0.265 175.902 175.800 -0.272 0.000 1.111 142 F CA -0.145 57.681 58.000 -0.290 0.000 1.359 142 F CB 0.357 39.080 39.000 -0.461 0.000 1.097 142 F HN -0.067 nan 8.300 nan 0.000 0.577 143 L N -0.197 120.945 121.223 -0.136 0.000 2.304 143 L HA 0.467 4.822 4.340 0.026 0.000 0.268 143 L C 0.023 176.779 176.870 -0.190 0.000 1.010 143 L CA -1.268 53.415 54.840 -0.262 0.000 0.813 143 L CB 1.178 42.998 42.059 -0.397 0.000 1.315 143 L HN -0.224 nan 8.230 nan 0.000 0.445 144 L N 1.589 122.678 121.223 -0.223 0.000 2.452 144 L HA 0.254 4.609 4.340 0.026 0.000 0.267 144 L C -1.911 174.969 176.870 0.017 0.000 1.188 144 L CA -1.617 53.180 54.840 -0.072 0.000 0.821 144 L CB 0.117 42.155 42.059 -0.035 0.000 1.102 144 L HN 0.352 nan 8.230 nan 0.000 0.470 145 P HA 0.105 nan 4.420 nan 0.000 0.271 145 P C 0.584 177.937 177.300 0.089 0.000 1.216 145 P CA 0.510 63.638 63.100 0.046 0.000 0.776 145 P CB 1.301 33.015 31.700 0.024 0.000 0.881 146 G N 1.555 110.377 108.800 0.036 0.000 2.900 146 G HA2 -0.246 3.729 3.960 0.026 0.000 0.223 146 G HA3 -0.246 3.729 3.960 0.026 0.000 0.223 146 G C -0.126 174.765 174.900 -0.015 0.000 1.293 146 G CA -0.127 44.964 45.100 -0.016 0.000 0.792 146 G HN 0.472 nan 8.290 nan 0.000 0.527 147 W N 2.069 123.325 121.300 -0.073 0.000 2.364 147 W HA 0.449 5.123 4.660 0.024 0.000 0.343 147 W C 1.146 177.614 176.519 -0.086 0.000 1.237 147 W CA 1.175 58.480 57.345 -0.068 0.000 1.319 147 W CB 0.402 29.800 29.460 -0.103 0.000 1.179 147 W HN 0.358 nan 8.180 nan 0.000 0.578 148 S N 4.143 119.983 115.700 0.233 0.000 2.457 148 S HA 0.304 4.789 4.470 0.026 0.000 0.289 148 S C -1.250 173.396 174.600 0.077 0.000 1.163 148 S CA -1.665 56.592 58.200 0.094 0.000 1.078 148 S CB 0.870 64.099 63.200 0.048 0.000 0.987 148 S HN 0.273 nan 8.310 nan 0.000 0.482 149 P HA 0.137 nan 4.420 nan 0.000 0.259 149 P C 0.632 177.777 177.300 -0.259 0.000 1.307 149 P CA 0.186 63.309 63.100 0.037 0.000 0.768 149 P CB -0.414 31.323 31.700 0.063 0.000 1.199 150 G N 1.467 109.926 108.800 -0.569 0.000 2.940 150 G HA2 0.311 4.286 3.960 0.026 0.000 0.164 150 G HA3 0.311 4.286 3.960 0.026 0.000 0.164 150 G C -1.697 172.438 174.900 -1.274 0.000 1.326 150 G CA -0.981 43.357 45.100 -1.270 0.000 1.020 150 G HN -0.147 nan 8.290 nan 0.000 0.586 151 P HA -0.057 nan 4.420 nan 0.000 0.217 151 P C 1.415 178.744 177.300 0.048 0.000 1.150 151 P CA 1.073 64.051 63.100 -0.203 0.000 0.832 151 P CB 0.084 31.671 31.700 -0.188 0.000 0.787 152 F N -0.990 119.027 119.950 0.110 0.000 2.163 152 F HA -0.054 4.491 4.527 0.029 0.000 0.297 152 F C 2.424 178.560 175.800 0.561 0.000 1.094 152 F CA 1.092 59.271 58.000 0.297 0.000 1.290 152 F CB -1.152 37.945 39.000 0.162 0.000 1.017 152 F HN -0.193 nan 8.300 nan 0.000 0.483 153 F N -0.393 119.927 119.950 0.615 0.000 2.113 153 F HA -0.196 4.346 4.527 0.025 0.000 0.297 153 F C 1.793 177.827 175.800 0.390 0.000 1.103 153 F CA 1.349 59.645 58.000 0.493 0.000 1.248 153 F CB -0.830 38.372 39.000 0.336 0.000 0.999 153 F HN -0.077 nan 8.300 nan 0.000 0.475 154 W N -0.402 120.895 121.300 -0.006 0.000 2.359 154 W HA -0.211 4.461 4.660 0.019 0.000 0.275 154 W C 2.191 178.702 176.519 -0.014 0.000 1.217 154 W CA 0.854 58.120 57.345 -0.133 0.000 1.196 154 W CB -1.693 27.794 29.460 0.045 0.000 1.129 154 W HN 0.173 nan 8.180 nan 0.000 0.566 155 F N -0.972 119.071 119.950 0.156 0.000 2.619 155 F HA 0.112 4.655 4.527 0.028 0.000 0.293 155 F C 1.928 177.782 175.800 0.091 0.000 1.119 155 F CA 0.495 58.558 58.000 0.104 0.000 1.445 155 F CB -0.484 38.557 39.000 0.069 0.000 1.119 155 F HN -0.310 nan 8.300 nan 0.000 0.573 156 V N -0.353 119.579 119.914 0.030 0.000 3.461 156 V HA -0.057 4.079 4.120 0.026 0.000 0.267 156 V C 1.465 177.424 176.094 -0.226 0.000 1.186 156 V CA 1.220 63.479 62.300 -0.068 0.000 1.154 156 V CB -0.069 31.856 31.823 0.171 0.000 0.802 156 V HN 0.197 nan 8.190 nan 0.000 0.474 157 V N -1.764 117.966 119.914 -0.306 0.000 3.085 157 V HA 0.027 4.162 4.120 0.026 0.000 0.245 157 V C 2.261 178.241 176.094 -0.190 0.000 1.114 157 V CA 1.070 63.199 62.300 -0.286 0.000 1.108 157 V CB 0.641 32.208 31.823 -0.426 0.000 0.798 157 V HN 0.318 nan 8.190 nan 0.000 0.471 158 V N 1.557 121.372 119.914 -0.166 0.000 2.332 158 V HA -0.211 3.924 4.120 0.026 0.000 0.248 158 V C 2.518 178.517 176.094 -0.158 0.000 1.055 158 V CA 2.453 64.688 62.300 -0.108 0.000 1.038 158 V CB -0.311 31.503 31.823 -0.015 0.000 0.651 158 V HN 0.591 nan 8.190 nan 0.000 0.450 159 V N -3.355 116.402 119.914 -0.262 0.000 3.306 159 V HA -0.049 4.086 4.120 0.026 0.000 0.264 159 V C 2.032 178.029 176.094 -0.161 0.000 1.149 159 V CA 1.655 63.821 62.300 -0.223 0.000 1.143 159 V CB -0.864 30.776 31.823 -0.304 0.000 0.767 159 V HN 0.512 nan 8.190 nan 0.000 0.476 160 T N 0.581 115.034 114.554 -0.168 0.000 2.904 160 T HA -0.059 4.306 4.350 0.026 0.000 0.267 160 T C 1.694 176.307 174.700 -0.145 0.000 1.059 160 T CA 1.577 63.584 62.100 -0.154 0.000 1.137 160 T CB -0.180 68.583 68.868 -0.176 0.000 0.879 160 T HN 0.543 nan 8.240 nan 0.000 0.467 161 Q N -0.192 119.530 119.800 -0.131 0.000 2.217 161 Q HA 0.315 4.670 4.340 0.026 0.000 0.217 161 Q C 1.752 177.732 176.000 -0.034 0.000 0.844 161 Q CA 0.153 55.901 55.803 -0.092 0.000 0.957 161 Q CB 0.507 29.176 28.738 -0.115 0.000 1.127 161 Q HN 0.349 nan 8.270 nan 0.000 0.503 162 V N 0.294 120.178 119.914 -0.049 0.000 3.590 162 V HA 0.188 4.324 4.120 0.026 0.000 0.265 162 V C 1.348 177.425 176.094 -0.028 0.000 1.239 162 V CA 1.231 63.511 62.300 -0.034 0.000 1.117 162 V CB 0.481 32.272 31.823 -0.053 0.000 0.818 162 V HN 0.218 nan 8.190 nan 0.000 0.451 163 A N -0.646 122.153 122.820 -0.035 0.000 2.503 163 A HA 0.569 4.905 4.320 0.026 0.000 0.263 163 A C 1.704 179.305 177.584 0.027 0.000 1.258 163 A CA 0.690 52.715 52.037 -0.019 0.000 0.936 163 A CB 0.096 19.068 19.000 -0.047 0.000 1.070 163 A HN 0.436 nan 8.150 nan 0.000 0.522 164 G N -0.838 107.985 108.800 0.038 0.000 2.739 164 G HA2 0.165 4.140 3.960 0.026 0.000 0.200 164 G HA3 0.165 4.140 3.960 0.026 0.000 0.200 164 G C 1.180 176.214 174.900 0.223 0.000 1.069 164 G CA 0.557 45.718 45.100 0.101 0.000 0.768 164 G HN 0.317 nan 8.290 nan 0.000 0.565 165 I N 0.980 121.623 120.570 0.122 0.000 3.035 165 I HA 0.218 4.403 4.170 0.026 0.000 0.271 165 I C 2.641 178.812 176.117 0.090 0.000 1.190 165 I CA 0.915 62.280 61.300 0.107 0.000 1.472 165 I CB 0.267 38.308 38.000 0.069 0.000 1.116 165 I HN 0.171 nan 8.210 nan 0.000 0.443 166 A N 0.728 123.597 122.820 0.082 0.000 2.014 166 A HA -0.169 4.167 4.320 0.026 0.000 0.218 166 A C 2.112 179.782 177.584 0.142 0.000 1.163 166 A CA 1.030 53.108 52.037 0.069 0.000 0.652 166 A CB -0.509 18.499 19.000 0.013 0.000 0.808 166 A HN 0.437 nan 8.150 nan 0.000 0.449 167 L N -1.145 120.203 121.223 0.208 0.000 2.023 167 L HA -0.047 4.308 4.340 0.026 0.000 0.205 167 L C 2.242 179.309 176.870 0.329 0.000 1.073 167 L CA 1.320 56.374 54.840 0.357 0.000 0.745 167 L CB -0.350 41.948 42.059 0.398 0.000 0.900 167 L HN 0.327 nan 8.230 nan 0.000 0.435 168 L N -1.103 120.233 121.223 0.188 0.000 2.141 168 L HA -0.154 4.202 4.340 0.026 0.000 0.209 168 L C 2.241 179.036 176.870 -0.124 0.000 1.094 168 L CA 1.478 56.219 54.840 -0.165 0.000 0.763 168 L CB -0.764 40.996 42.059 -0.499 0.000 0.908 168 L HN 0.321 nan 8.230 nan 0.000 0.437 169 L N -1.423 119.781 121.223 -0.032 0.000 1.970 169 L HA -0.253 4.102 4.340 0.026 0.000 0.212 169 L C 2.301 179.179 176.870 0.015 0.000 1.071 169 L CA 2.104 56.907 54.840 -0.063 0.000 0.751 169 L CB -0.978 41.068 42.059 -0.022 0.000 0.889 169 L HN 0.475 nan 8.230 nan 0.000 0.432 170 W N 0.324 121.577 121.300 -0.079 0.000 2.321 170 W HA -0.276 4.400 4.660 0.026 0.000 0.306 170 W C 2.378 178.877 176.519 -0.034 0.000 1.217 170 W CA 2.161 59.481 57.345 -0.041 0.000 1.257 170 W CB -0.460 29.000 29.460 0.000 0.000 1.145 170 W HN 0.199 nan 8.180 nan 0.000 0.509 171 M N -0.027 119.523 119.600 -0.083 0.000 2.260 171 M HA -0.236 4.260 4.480 0.026 0.000 0.261 171 M C 2.120 178.286 176.300 -0.223 0.000 1.066 171 M CA 1.921 57.072 55.300 -0.248 0.000 1.082 171 M CB -0.692 31.783 32.600 -0.207 0.000 1.388 171 M HN 0.155 nan 8.290 nan 0.000 0.419 172 A N -0.578 122.135 122.820 -0.178 0.000 1.935 172 A HA -0.043 4.292 4.320 0.026 0.000 0.214 172 A C 1.899 179.418 177.584 -0.109 0.000 1.178 172 A CA 0.853 52.797 52.037 -0.155 0.000 0.640 172 A CB -0.252 18.639 19.000 -0.182 0.000 0.825 172 A HN 0.330 nan 8.150 nan 0.000 0.447 173 E N -0.542 119.610 120.200 -0.080 0.000 2.511 173 E HA -0.023 4.342 4.350 0.026 0.000 0.196 173 E C 1.115 177.701 176.600 -0.024 0.000 1.066 173 E CA 0.281 56.674 56.400 -0.012 0.000 0.871 173 E CB 0.148 29.908 29.700 0.100 0.000 0.863 173 E HN 0.329 nan 8.360 nan 0.000 0.520 174 R N -0.809 119.616 120.500 -0.125 0.000 2.435 174 R HA 0.263 4.618 4.340 0.026 0.000 0.221 174 R C 2.091 178.423 176.300 0.053 0.000 0.885 174 R CA -0.040 56.006 56.100 -0.090 0.000 1.018 174 R CB 0.103 30.210 30.300 -0.321 0.000 1.259 174 R HN 0.150 nan 8.270 nan 0.000 0.597 175 I N 0.619 121.224 120.570 0.057 0.000 2.333 175 I HA -0.145 4.041 4.170 0.026 0.000 0.246 175 I C 1.594 177.712 176.117 0.002 0.000 1.106 175 I CA 1.380 62.751 61.300 0.119 0.000 1.411 175 I CB -0.321 37.720 38.000 0.067 0.000 1.082 175 I HN -0.013 nan 8.210 nan 0.000 0.420 176 T N 0.065 114.605 114.554 -0.023 0.000 2.915 176 T HA -0.168 4.198 4.350 0.026 0.000 0.269 176 T C 1.805 176.493 174.700 -0.020 0.000 1.071 176 T CA 1.118 63.202 62.100 -0.027 0.000 1.132 176 T CB -0.145 68.706 68.868 -0.028 0.000 0.878 176 T HN 0.362 nan 8.240 nan 0.000 0.479 177 E N 0.042 120.236 120.200 -0.009 0.000 2.033 177 E HA -0.074 4.292 4.350 0.026 0.000 0.189 177 E C 1.219 177.854 176.600 0.058 0.000 0.979 177 E CA 1.054 57.467 56.400 0.022 0.000 0.802 177 E CB 0.001 29.720 29.700 0.032 0.000 0.763 177 E HN 0.546 nan 8.360 nan 0.000 0.449 178 Y N -0.512 119.652 120.300 -0.226 0.000 2.448 178 Y HA 0.343 4.908 4.550 0.026 0.000 0.257 178 Y C 0.888 176.517 175.900 -0.451 0.000 1.089 178 Y CA 0.316 58.220 58.100 -0.326 0.000 1.245 178 Y CB 0.764 38.999 38.460 -0.375 0.000 1.282 178 Y HN 0.059 nan 8.280 nan 0.000 0.529 179 G N 0.806 109.337 108.800 -0.449 0.000 2.714 179 G HA2 0.323 4.298 3.960 0.026 0.000 0.197 179 G HA3 0.323 4.298 3.960 0.026 0.000 0.197 179 G C -0.045 174.755 174.900 -0.167 0.000 1.449 179 G CA -0.326 44.576 45.100 -0.330 0.000 1.065 179 G HN 0.160 nan 8.290 nan 0.000 0.575 180 I N -1.171 119.368 120.570 -0.053 0.000 2.886 180 I HA 0.600 4.785 4.170 0.026 0.000 0.299 180 I C 1.390 177.486 176.117 -0.034 0.000 1.044 180 I CA -0.251 61.022 61.300 -0.044 0.000 1.310 180 I CB 0.164 38.156 38.000 -0.014 0.000 1.441 180 I HN 0.939 nan 8.210 nan 0.000 0.578 181 G N 3.421 112.198 108.800 -0.038 0.000 2.529 181 G HA2 -0.306 3.670 3.960 0.026 0.000 0.491 181 G HA3 -0.306 3.670 3.960 0.026 0.000 0.491 181 G C -0.098 174.781 174.900 -0.034 0.000 1.387 181 G CA 0.305 45.385 45.100 -0.034 0.000 0.928 181 G HN 0.856 nan 8.290 nan 0.000 0.515 182 N N 1.528 120.204 118.700 -0.040 0.000 2.546 182 N HA 0.396 5.151 4.740 0.026 0.000 0.238 182 N C 1.348 176.819 175.510 -0.064 0.000 0.984 182 N CA 0.556 53.579 53.050 -0.046 0.000 0.935 182 N CB 0.918 39.383 38.487 -0.038 0.000 1.122 182 N HN 0.815 nan 8.380 nan 0.000 0.510 183 G N 1.508 110.263 108.800 -0.075 0.000 2.503 183 G HA2 -0.316 3.660 3.960 0.026 0.000 0.221 183 G HA3 -0.316 3.660 3.960 0.026 0.000 0.221 183 G C 1.078 175.891 174.900 -0.145 0.000 1.131 183 G CA 1.601 46.634 45.100 -0.111 0.000 0.756 183 G HN 0.605 nan 8.290 nan 0.000 0.572 184 T N -1.502 112.975 114.554 -0.129 0.000 2.914 184 T HA 0.168 4.534 4.350 0.026 0.000 0.412 184 T C 1.746 176.389 174.700 -0.095 0.000 1.085 184 T CA 1.790 63.815 62.100 -0.124 0.000 1.115 184 T CB -0.198 68.615 68.868 -0.093 0.000 1.248 184 T HN 0.968 nan 8.240 nan 0.000 0.513 185 S N 0.426 116.083 115.700 -0.071 0.000 4.149 185 S HA -0.366 4.119 4.470 0.026 0.000 0.536 185 S C 1.420 176.014 174.600 -0.010 0.000 1.562 185 S CA 1.658 59.829 58.200 -0.049 0.000 3.928 185 S CB -2.186 60.974 63.200 -0.067 0.000 1.486 185 S HN 1.302 nan 8.310 nan 0.000 0.455 186 L N 1.896 123.102 121.223 -0.029 0.000 2.058 186 L HA -0.204 4.151 4.340 0.026 0.000 0.226 186 L C 2.029 178.932 176.870 0.055 0.000 1.089 186 L CA 2.628 57.492 54.840 0.040 0.000 0.799 186 L CB -0.477 41.566 42.059 -0.027 0.000 0.900 186 L HN 0.626 nan 8.230 nan 0.000 0.442 187 I N -0.575 119.926 120.570 -0.114 0.000 2.830 187 I HA -0.169 4.017 4.170 0.026 0.000 0.263 187 I C 2.269 178.324 176.117 -0.103 0.000 1.230 187 I CA 1.178 62.306 61.300 -0.287 0.000 1.480 187 I CB -0.939 36.777 38.000 -0.473 0.000 1.095 187 I HN 0.411 nan 8.210 nan 0.000 0.455 188 I N -0.879 119.682 120.570 -0.014 0.000 2.494 188 I HA -0.170 4.015 4.170 0.026 0.000 0.250 188 I C 2.493 178.613 176.117 0.004 0.000 1.112 188 I CA 0.697 62.011 61.300 0.022 0.000 1.438 188 I CB -0.655 37.374 38.000 0.048 0.000 1.111 188 I HN 0.016 nan 8.210 nan 0.000 0.431 189 F N 2.831 122.719 119.950 -0.103 0.000 2.171 189 F HA -0.111 4.432 4.527 0.025 0.000 0.300 189 F C 2.403 178.148 175.800 -0.093 0.000 1.090 189 F CA 1.296 59.217 58.000 -0.132 0.000 1.293 189 F CB -0.273 38.657 39.000 -0.117 0.000 1.013 189 F HN -0.019 nan 8.300 nan 0.000 0.486 190 A N 0.568 123.202 122.820 -0.311 0.000 1.969 190 A HA 0.033 4.368 4.320 0.026 0.000 0.218 190 A C 2.410 179.896 177.584 -0.163 0.000 1.169 190 A CA 1.324 53.183 52.037 -0.296 0.000 0.635 190 A CB -1.778 17.306 19.000 0.140 0.000 0.810 190 A HN 0.533 nan 8.150 nan 0.000 0.445 191 G N -0.159 108.616 108.800 -0.042 0.000 2.484 191 G HA2 -0.016 3.959 3.960 0.026 0.000 0.218 191 G HA3 -0.016 3.959 3.960 0.026 0.000 0.218 191 G C 1.357 176.190 174.900 -0.110 0.000 1.130 191 G CA 1.078 46.169 45.100 -0.014 0.000 0.784 191 G HN 0.532 nan 8.290 nan 0.000 0.543 192 I N 0.789 121.215 120.570 -0.239 0.000 2.494 192 I HA -0.017 4.169 4.170 0.026 0.000 0.250 192 I C 2.787 178.773 176.117 -0.218 0.000 1.112 192 I CA 0.605 61.746 61.300 -0.265 0.000 1.438 192 I CB -0.366 37.371 38.000 -0.439 0.000 1.111 192 I HN 0.070 nan 8.210 nan 0.000 0.431 193 V N -1.431 118.264 119.914 -0.365 0.000 2.515 193 V HA -0.125 4.010 4.120 0.026 0.000 0.250 193 V C 2.202 178.255 176.094 -0.069 0.000 1.058 193 V CA 1.413 63.552 62.300 -0.269 0.000 1.064 193 V CB -0.754 30.787 31.823 -0.470 0.000 0.675 193 V HN 0.332 nan 8.190 nan 0.000 0.461 194 V N 0.257 120.121 119.914 -0.083 0.000 3.217 194 V HA -0.006 4.130 4.120 0.026 0.000 0.264 194 V C 2.371 178.484 176.094 0.032 0.000 1.135 194 V CA 2.023 64.316 62.300 -0.012 0.000 1.142 194 V CB 0.010 31.813 31.823 -0.034 0.000 0.754 194 V HN 0.747 nan 8.190 nan 0.000 0.484 195 E N -1.978 118.242 120.200 0.034 0.000 2.460 195 E HA -0.049 4.317 4.350 0.026 0.000 0.200 195 E C 0.912 177.545 176.600 0.054 0.000 1.011 195 E CA -0.098 56.331 56.400 0.049 0.000 0.912 195 E CB 0.182 29.900 29.700 0.031 0.000 0.953 195 E HN 0.729 nan 8.360 nan 0.000 0.494 196 W N 0.689 121.872 121.300 -0.195 0.000 3.364 196 W HA 0.194 4.869 4.660 0.025 0.000 0.397 196 W C 0.780 177.383 176.519 0.140 0.000 1.107 196 W CA -0.143 57.067 57.345 -0.224 0.000 1.892 196 W CB 0.280 29.554 29.460 -0.309 0.000 1.027 196 W HN 0.173 nan 8.180 nan 0.000 0.761 197 L N 1.449 122.839 121.223 0.279 0.000 3.087 197 L HA 0.379 4.734 4.340 0.026 0.000 0.169 197 L C -0.799 176.197 176.870 0.211 0.000 1.276 197 L CA 0.332 55.316 54.840 0.239 0.000 0.865 197 L CB -0.900 41.252 42.059 0.156 0.000 1.368 197 L HN -0.340 nan 8.230 nan 0.000 0.548 198 P HA -0.143 nan 4.420 nan 0.000 0.223 198 P C 1.067 178.430 177.300 0.105 0.000 1.151 198 P CA 1.280 64.451 63.100 0.118 0.000 0.787 198 P CB -0.062 31.692 31.700 0.090 0.000 0.788 199 Q N -0.200 119.678 119.800 0.129 0.000 2.181 199 Q HA -0.137 4.218 4.340 0.026 0.000 0.205 199 Q C 2.310 178.340 176.000 0.050 0.000 0.980 199 Q CA 1.182 57.028 55.803 0.071 0.000 0.862 199 Q CB -0.651 28.147 28.738 0.100 0.000 0.905 199 Q HN 0.335 nan 8.270 nan 0.000 0.429 200 I N 0.368 121.049 120.570 0.185 0.000 2.127 200 I HA -0.294 3.892 4.170 0.026 0.000 0.241 200 I C 2.170 178.368 176.117 0.136 0.000 1.075 200 I CA 1.191 62.659 61.300 0.280 0.000 1.334 200 I CB -0.143 38.081 38.000 0.373 0.000 1.040 200 I HN 0.174 nan 8.210 nan 0.000 0.405 201 L N 0.189 121.476 121.223 0.106 0.000 2.558 201 L HA 0.009 4.364 4.340 0.026 0.000 0.225 201 L C 2.488 179.363 176.870 0.009 0.000 1.128 201 L CA 0.462 55.338 54.840 0.061 0.000 0.868 201 L CB -0.245 41.858 42.059 0.074 0.000 1.006 201 L HN 0.093 nan 8.230 nan 0.000 0.454 202 R N -0.868 119.625 120.500 -0.011 0.000 2.062 202 R HA -0.153 4.203 4.340 0.026 0.000 0.231 202 R C 1.969 178.199 176.300 -0.118 0.000 1.136 202 R CA 2.105 58.174 56.100 -0.052 0.000 0.948 202 R CB -0.323 29.944 30.300 -0.055 0.000 0.845 202 R HN 0.272 nan 8.270 nan 0.000 0.430 203 T N 1.234 115.665 114.554 -0.204 0.000 2.737 203 T HA -0.161 4.205 4.350 0.026 0.000 0.269 203 T C 1.824 176.331 174.700 -0.321 0.000 1.040 203 T CA 1.676 63.529 62.100 -0.412 0.000 1.142 203 T CB -0.201 68.109 68.868 -0.929 0.000 0.861 203 T HN 0.226 nan 8.240 nan 0.000 0.456 204 I N 1.183 121.653 120.570 -0.166 0.000 2.202 204 I HA -0.029 4.157 4.170 0.026 0.000 0.242 204 I C 2.921 179.004 176.117 -0.058 0.000 1.091 204 I CA 1.287 62.545 61.300 -0.071 0.000 1.368 204 I CB -0.674 37.338 38.000 0.019 0.000 1.058 204 I HN 0.302 nan 8.210 nan 0.000 0.410 205 G N 0.702 109.472 108.800 -0.050 0.000 2.559 205 G HA2 -0.049 3.927 3.960 0.026 0.000 0.216 205 G HA3 -0.049 3.927 3.960 0.026 0.000 0.216 205 G C 1.609 176.474 174.900 -0.059 0.000 1.126 205 G CA 0.264 45.340 45.100 -0.040 0.000 0.778 205 G HN 0.246 nan 8.290 nan 0.000 0.543 206 L N -0.212 120.954 121.223 -0.096 0.000 2.145 206 L HA 0.212 4.567 4.340 0.026 0.000 0.201 206 L C 2.488 179.293 176.870 -0.109 0.000 1.075 206 L CA 0.379 55.152 54.840 -0.111 0.000 0.773 206 L CB -0.368 41.597 42.059 -0.156 0.000 0.936 206 L HN 0.095 nan 8.230 nan 0.000 0.451 207 I N -0.157 120.333 120.570 -0.133 0.000 3.102 207 I HA -0.226 3.960 4.170 0.026 0.000 0.278 207 I C 2.585 178.674 176.117 -0.048 0.000 1.316 207 I CA 0.940 62.186 61.300 -0.090 0.000 1.425 207 I CB -0.345 37.605 38.000 -0.083 0.000 1.073 207 I HN 0.250 nan 8.210 nan 0.000 0.503 208 R N 0.179 120.650 120.500 -0.048 0.000 2.087 208 R HA -0.027 4.329 4.340 0.026 0.000 0.213 208 R C 2.466 178.747 176.300 -0.032 0.000 1.137 208 R CA 1.597 57.679 56.100 -0.030 0.000 1.022 208 R CB -0.254 30.033 30.300 -0.022 0.000 0.920 208 R HN 0.385 nan 8.270 nan 0.000 0.451 209 T N -2.490 112.040 114.554 -0.041 0.000 2.915 209 T HA 0.042 4.407 4.350 0.026 0.000 0.269 209 T C 1.450 176.128 174.700 -0.037 0.000 1.071 209 T CA 1.272 63.350 62.100 -0.036 0.000 1.132 209 T CB 0.264 69.108 68.868 -0.040 0.000 0.878 209 T HN 0.469 nan 8.240 nan 0.000 0.479 210 G N 0.742 109.515 108.800 -0.045 0.000 2.813 210 G HA2 -0.123 3.852 3.960 0.026 0.000 0.194 210 G HA3 -0.123 3.852 3.960 0.026 0.000 0.194 210 G C -0.241 174.623 174.900 -0.060 0.000 1.010 210 G CA -0.503 44.571 45.100 -0.043 0.000 0.771 210 G HN 0.533 nan 8.290 nan 0.000 0.485 211 E N 1.729 121.882 120.200 -0.077 0.000 2.383 211 E HA 0.402 4.767 4.350 0.026 0.000 0.257 211 E C 1.342 177.856 176.600 -0.144 0.000 1.079 211 E CA 0.467 56.804 56.400 -0.105 0.000 0.934 211 E CB 1.723 31.357 29.700 -0.111 0.000 0.978 211 E HN 0.481 nan 8.360 nan 0.000 0.462 212 V N 3.905 123.740 119.914 -0.131 0.000 0.693 212 V HA -0.441 3.694 4.120 0.026 0.000 0.092 212 V C -0.289 175.747 176.094 -0.096 0.000 0.769 212 V CA 2.329 64.555 62.300 -0.122 0.000 3.096 212 V CB -0.352 31.366 31.823 -0.174 0.000 0.185 212 V HN 1.161 nan 8.190 nan 0.000 0.064 213 N N -3.507 115.145 118.700 -0.080 0.000 3.355 213 N HA 0.418 5.174 4.740 0.026 0.000 0.238 213 N C -0.249 175.304 175.510 0.072 0.000 1.466 213 N CA -0.234 52.810 53.050 -0.009 0.000 0.882 213 N CB 0.689 39.186 38.487 0.017 0.000 1.406 213 N HN 0.389 nan 8.380 nan 0.000 0.500 214 L N -0.025 121.249 121.223 0.086 0.000 2.046 214 L HA -0.076 4.279 4.340 0.026 0.000 0.208 214 L C 1.554 178.502 176.870 0.131 0.000 1.077 214 L CA 1.163 56.081 54.840 0.130 0.000 0.747 214 L CB -0.265 41.839 42.059 0.075 0.000 0.896 214 L HN 0.512 nan 8.230 nan 0.000 0.432 215 V N -0.656 119.316 119.914 0.097 0.000 2.788 215 V HA -0.082 4.054 4.120 0.026 0.000 0.251 215 V C 2.475 178.689 176.094 0.200 0.000 1.068 215 V CA 1.346 63.696 62.300 0.083 0.000 1.090 215 V CB -0.403 31.472 31.823 0.087 0.000 0.710 215 V HN 0.426 nan 8.190 nan 0.000 0.467 216 A N -1.286 121.663 122.820 0.214 0.000 2.067 216 A HA -0.005 4.331 4.320 0.026 0.000 0.217 216 A C 1.770 179.564 177.584 0.349 0.000 1.156 216 A CA 0.930 53.117 52.037 0.249 0.000 0.683 216 A CB -0.401 18.681 19.000 0.136 0.000 0.808 216 A HN 0.460 nan 8.150 nan 0.000 0.455 217 F N -0.878 119.125 119.950 0.088 0.000 2.639 217 F HA 0.334 4.876 4.527 0.025 0.000 0.300 217 F C 1.159 177.018 175.800 0.099 0.000 1.109 217 F CA -0.647 57.425 58.000 0.120 0.000 1.335 217 F CB 0.371 39.409 39.000 0.063 0.000 1.014 217 F HN 0.201 nan 8.300 nan 0.000 0.537 218 L N -1.437 119.847 121.223 0.102 0.000 2.347 218 L HA 0.217 4.573 4.340 0.026 0.000 0.196 218 L C 1.807 178.625 176.870 -0.087 0.000 1.072 218 L CA 1.590 56.380 54.840 -0.083 0.000 0.817 218 L CB -0.818 41.110 42.059 -0.217 0.000 1.029 218 L HN -0.000 nan 8.230 nan 0.000 0.478 219 F N -1.077 118.916 119.950 0.073 0.000 2.234 219 F HA -0.191 4.351 4.527 0.026 0.000 0.299 219 F C 2.204 178.045 175.800 0.069 0.000 1.087 219 F CA 1.439 59.473 58.000 0.057 0.000 1.340 219 F CB -0.237 38.783 39.000 0.034 0.000 1.031 219 F HN 0.225 nan 8.300 nan 0.000 0.500 220 F N 0.312 120.337 119.950 0.124 0.000 2.259 220 F HA -0.065 4.477 4.527 0.026 0.000 0.298 220 F C 1.444 177.289 175.800 0.075 0.000 1.088 220 F CA 1.504 59.533 58.000 0.048 0.000 1.358 220 F CB -0.284 38.719 39.000 0.005 0.000 1.040 220 F HN -0.139 nan 8.300 nan 0.000 0.505 221 L N -0.718 120.347 121.223 -0.263 0.000 2.515 221 L HA 0.293 4.649 4.340 0.026 0.000 0.223 221 L C 2.480 179.243 176.870 -0.179 0.000 1.079 221 L CA 0.664 55.278 54.840 -0.377 0.000 0.857 221 L CB -0.614 41.228 42.059 -0.362 0.000 1.050 221 L HN 0.098 nan 8.230 nan 0.000 0.476 222 A N -0.213 122.567 122.820 -0.066 0.000 2.066 222 A HA -0.184 4.151 4.320 0.026 0.000 0.218 222 A C 2.042 179.655 177.584 0.048 0.000 1.157 222 A CA 0.960 52.989 52.037 -0.014 0.000 0.670 222 A CB -0.544 18.457 19.000 0.001 0.000 0.804 222 A HN 0.337 nan 8.150 nan 0.000 0.453 223 F N 0.875 120.763 119.950 -0.103 0.000 2.134 223 F HA -0.136 4.406 4.527 0.025 0.000 0.299 223 F C 1.981 177.657 175.800 -0.207 0.000 1.097 223 F CA 1.346 59.283 58.000 -0.105 0.000 1.264 223 F CB -0.214 38.739 39.000 -0.078 0.000 1.001 223 F HN 0.183 nan 8.300 nan 0.000 0.479 224 I N -0.850 119.586 120.570 -0.223 0.000 2.454 224 I HA -0.262 3.923 4.170 0.026 0.000 0.254 224 I C 1.957 177.662 176.117 -0.686 0.000 1.156 224 I CA 0.873 61.893 61.300 -0.467 0.000 1.433 224 I CB -0.553 37.205 38.000 -0.404 0.000 1.082 224 I HN -0.025 nan 8.210 nan 0.000 0.432 225 V N 0.357 120.053 119.914 -0.363 0.000 2.878 225 V HA -0.137 3.998 4.120 0.026 0.000 0.250 225 V C 2.135 178.148 176.094 -0.135 0.000 1.075 225 V CA 0.741 62.924 62.300 -0.196 0.000 1.096 225 V CB -0.204 31.597 31.823 -0.036 0.000 0.724 225 V HN 0.342 nan 8.190 nan 0.000 0.467 226 L N 1.021 122.143 121.223 -0.168 0.000 2.376 226 L HA 0.127 4.483 4.340 0.026 0.000 0.219 226 L C 2.186 178.940 176.870 -0.193 0.000 1.133 226 L CA 1.881 56.636 54.840 -0.142 0.000 0.816 226 L CB -0.642 41.332 42.059 -0.142 0.000 0.933 226 L HN 0.187 nan 8.230 nan 0.000 0.449 227 A N -1.254 121.369 122.820 -0.327 0.000 1.935 227 A HA 0.004 4.340 4.320 0.026 0.000 0.214 227 A C 1.857 179.389 177.584 -0.087 0.000 1.178 227 A CA 0.885 52.750 52.037 -0.287 0.000 0.640 227 A CB -0.662 18.069 19.000 -0.448 0.000 0.825 227 A HN 0.377 nan 8.150 nan 0.000 0.447 228 F N 0.297 120.207 119.950 -0.067 0.000 2.163 228 F HA 0.072 4.614 4.527 0.025 0.000 0.297 228 F C 2.544 178.317 175.800 -0.044 0.000 1.094 228 F CA 0.476 58.442 58.000 -0.056 0.000 1.290 228 F CB -0.875 38.089 39.000 -0.059 0.000 1.017 228 F HN 0.230 nan 8.300 nan 0.000 0.483 229 A N -0.747 122.160 122.820 0.144 0.000 2.278 229 A HA 0.450 4.786 4.320 0.026 0.000 0.212 229 A C 2.105 179.713 177.584 0.039 0.000 1.213 229 A CA 0.938 53.018 52.037 0.072 0.000 0.840 229 A CB -1.094 17.938 19.000 0.053 0.000 0.866 229 A HN 0.397 nan 8.150 nan 0.000 0.489 230 G N -1.340 107.494 108.800 0.057 0.000 2.868 230 G HA2 0.124 4.100 3.960 0.026 0.000 0.201 230 G HA3 0.124 4.100 3.960 0.026 0.000 0.201 230 G C 1.307 176.198 174.900 -0.014 0.000 1.130 230 G CA 0.660 45.785 45.100 0.042 0.000 0.777 230 G HN 0.267 nan 8.290 nan 0.000 0.680 231 M N 1.393 121.047 119.600 0.090 0.000 2.195 231 M HA -0.012 4.484 4.480 0.026 0.000 0.260 231 M C 2.565 178.854 176.300 -0.018 0.000 1.066 231 M CA 1.986 57.325 55.300 0.065 0.000 1.089 231 M CB -0.001 32.697 32.600 0.164 0.000 1.377 231 M HN 0.310 nan 8.290 nan 0.000 0.411 232 A N -0.248 122.569 122.820 -0.006 0.000 1.841 232 A HA -0.003 4.333 4.320 0.026 0.000 0.214 232 A C 2.308 179.859 177.584 -0.055 0.000 1.195 232 A CA 1.751 53.770 52.037 -0.030 0.000 0.611 232 A CB -1.430 17.554 19.000 -0.026 0.000 0.835 232 A HN 0.586 nan 8.150 nan 0.000 0.443 233 A N -0.568 122.216 122.820 -0.060 0.000 1.958 233 A HA -0.114 4.222 4.320 0.026 0.000 0.221 233 A C 2.232 179.758 177.584 -0.097 0.000 1.178 233 A CA 2.115 54.109 52.037 -0.072 0.000 0.642 233 A CB -1.073 17.884 19.000 -0.071 0.000 0.816 233 A HN 0.454 nan 8.150 nan 0.000 0.453 234 V N -0.107 119.722 119.914 -0.141 0.000 2.343 234 V HA -0.232 3.903 4.120 0.026 0.000 0.247 234 V C 2.593 178.620 176.094 -0.111 0.000 1.051 234 V CA 1.993 64.183 62.300 -0.184 0.000 1.036 234 V CB -0.644 30.967 31.823 -0.354 0.000 0.654 234 V HN 0.574 nan 8.190 nan 0.000 0.451 235 Q N -0.450 119.304 119.800 -0.078 0.000 2.297 235 Q HA -0.082 4.273 4.340 0.026 0.000 0.204 235 Q C 1.582 177.556 176.000 -0.042 0.000 0.962 235 Q CA 0.889 56.664 55.803 -0.047 0.000 0.879 235 Q CB -0.105 28.612 28.738 -0.035 0.000 0.947 235 Q HN 0.603 nan 8.270 nan 0.000 0.462 236 Q N -0.963 118.807 119.800 -0.049 0.000 2.155 236 Q HA 0.381 4.736 4.340 0.026 0.000 0.220 236 Q C -0.049 175.927 176.000 -0.040 0.000 0.819 236 Q CA -0.181 55.599 55.803 -0.039 0.000 1.032 236 Q CB 0.702 29.416 28.738 -0.039 0.000 1.151 236 Q HN 0.150 nan 8.270 nan 0.000 0.487 237 A N 2.062 124.851 122.820 -0.051 0.000 2.280 237 A HA 0.544 4.879 4.320 0.026 0.000 0.268 237 A C 0.354 177.918 177.584 -0.033 0.000 1.111 237 A CA 0.015 52.022 52.037 -0.051 0.000 0.814 237 A CB 0.513 19.470 19.000 -0.072 0.000 1.093 237 A HN 0.293 nan 8.150 nan 0.000 0.498 238 E N -0.974 119.209 120.200 -0.028 0.000 2.381 238 E HA 0.257 4.622 4.350 0.026 0.000 0.281 238 E C -1.239 175.353 176.600 -0.015 0.000 1.151 238 E CA -0.837 55.553 56.400 -0.016 0.000 0.904 238 E CB 0.593 30.293 29.700 -0.000 0.000 1.234 238 E HN 0.665 nan 8.360 nan 0.000 0.427 239 R N 1.847 122.341 120.500 -0.010 0.000 2.215 239 R HA 0.383 4.739 4.340 0.026 0.000 0.336 239 R C -0.628 175.674 176.300 0.003 0.000 0.996 239 R CA -0.459 55.635 56.100 -0.010 0.000 0.847 239 R CB 0.903 31.194 30.300 -0.014 0.000 1.127 239 R HN 0.420 nan 8.270 nan 0.000 0.465 240 R N 4.386 124.883 120.500 -0.004 0.000 2.308 240 R HA 0.343 4.698 4.340 0.026 0.000 0.305 240 R C -0.570 175.732 176.300 0.004 0.000 1.053 240 R CA -0.423 55.678 56.100 0.002 0.000 0.957 240 R CB 0.933 31.195 30.300 -0.065 0.000 1.022 240 R HN 0.478 nan 8.270 nan 0.000 0.461 241 I N 3.844 124.441 120.570 0.045 0.000 2.608 241 I HA 0.342 4.528 4.170 0.026 0.000 0.295 241 I C -2.144 174.023 176.117 0.083 0.000 1.049 241 I CA -2.441 58.900 61.300 0.069 0.000 1.063 241 I CB 1.749 39.811 38.000 0.104 0.000 1.248 241 I HN 0.409 nan 8.210 nan 0.000 0.424 242 P HA 0.453 nan 4.420 nan 0.000 0.279 242 P C -0.817 176.543 177.300 0.101 0.000 1.239 242 P CA -0.377 62.772 63.100 0.081 0.000 0.789 242 P CB 1.019 32.757 31.700 0.063 0.000 0.933 243 V N -0.346 119.626 119.914 0.095 0.000 3.105 243 V HA 0.701 4.836 4.120 0.026 0.000 0.311 243 V C -0.807 175.304 176.094 0.028 0.000 1.287 243 V CA -0.693 61.643 62.300 0.060 0.000 1.066 243 V CB 1.752 33.600 31.823 0.041 0.000 1.105 243 V HN 0.568 nan 8.190 nan 0.000 0.462 244 Q N -1.133 118.580 119.800 -0.145 0.000 2.707 244 Q HA 0.600 4.956 4.340 0.026 0.000 0.307 244 Q C -2.303 173.242 176.000 -0.758 0.000 0.934 244 Q CA -0.695 55.008 55.803 -0.166 0.000 0.753 244 Q CB 3.236 32.036 28.738 0.103 0.000 1.478 244 Q HN 0.836 nan 8.270 nan 0.000 0.458 245 Y N -1.086 118.916 120.300 -0.496 0.000 2.609 245 Y HA 0.781 5.347 4.550 0.026 0.000 0.342 245 Y C -0.503 175.468 175.900 0.119 0.000 1.058 245 Y CA -0.619 57.247 58.100 -0.390 0.000 1.055 245 Y CB 2.523 40.867 38.460 -0.193 0.000 1.292 245 Y HN 0.717 nan 8.280 nan 0.000 0.476 246 A N 1.697 124.758 122.820 0.402 0.000 2.486 246 A HA 0.734 5.070 4.320 0.026 0.000 0.289 246 A C -0.786 176.940 177.584 0.238 0.000 1.176 246 A CA -0.968 51.264 52.037 0.324 0.000 0.757 246 A CB 1.565 20.756 19.000 0.319 0.000 1.337 246 A HN 0.840 nan 8.150 nan 0.000 0.423 256 G N -0.302 108.436 108.800 -0.102 0.000 3.341 256 G HA2 0.654 4.629 3.960 0.026 0.000 0.177 256 G HA3 0.654 4.629 3.960 0.026 0.000 0.177 256 G C 0.740 175.518 174.900 -0.204 0.000 1.236 256 G CA 0.065 45.094 45.100 -0.118 0.000 0.888 256 G HN 0.894 nan 8.290 nan 0.000 0.644 257 G N -0.772 107.912 108.800 -0.194 0.000 2.539 257 G HA2 -0.137 3.838 3.960 0.026 0.000 0.256 257 G HA3 -0.137 3.838 3.960 0.026 0.000 0.256 257 G C -0.138 174.642 174.900 -0.200 0.000 1.233 257 G CA 0.417 45.389 45.100 -0.214 0.000 0.936 257 G HN 0.902 nan 8.290 nan 0.000 0.571 258 Q N -0.201 119.470 119.800 -0.215 0.000 2.266 258 Q HA 0.690 5.045 4.340 0.026 0.000 0.261 258 Q C 0.474 176.284 176.000 -0.317 0.000 0.985 258 Q CA -0.357 55.317 55.803 -0.215 0.000 0.873 258 Q CB 2.046 30.688 28.738 -0.160 0.000 1.306 258 Q HN 1.439 nan 8.270 nan 0.000 0.447 259 A N 0.892 123.518 122.820 -0.323 0.000 2.600 259 A HA 0.123 4.459 4.320 0.026 0.000 0.252 259 A C 0.787 178.228 177.584 -0.238 0.000 1.200 259 A CA 0.077 51.856 52.037 -0.430 0.000 0.981 259 A CB 0.337 19.082 19.000 -0.425 0.000 1.207 259 A HN 0.770 nan 8.150 nan 0.000 0.577 260 T N -1.058 113.364 114.554 -0.219 0.000 2.680 260 T HA 0.347 4.712 4.350 0.026 0.000 0.314 260 T C 0.464 175.070 174.700 -0.156 0.000 1.045 260 T CA 0.025 61.965 62.100 -0.267 0.000 1.025 260 T CB -0.172 68.440 68.868 -0.426 0.000 1.000 260 T HN 0.534 nan 8.240 nan 0.000 0.535 261 Y N -0.297 119.993 120.300 -0.016 0.000 2.426 261 Y HA 0.561 5.126 4.550 0.026 0.000 0.344 261 Y C 0.365 176.270 175.900 0.007 0.000 1.256 261 Y CA -1.703 56.399 58.100 0.003 0.000 1.451 261 Y CB 0.200 38.663 38.460 0.005 0.000 1.342 261 Y HN 0.374 nan 8.280 nan 0.000 0.600 262 I N 2.831 123.519 120.570 0.197 0.000 2.493 262 I HA 0.308 4.494 4.170 0.026 0.000 0.279 262 I C -2.888 173.297 176.117 0.113 0.000 1.045 262 I CA -2.083 59.286 61.300 0.115 0.000 1.106 262 I CB 0.802 38.854 38.000 0.087 0.000 1.216 262 I HN 0.480 nan 8.210 nan 0.000 0.459 263 P HA 0.601 nan 4.420 nan 0.000 0.290 263 P C -0.572 176.749 177.300 0.036 0.000 1.275 263 P CA -0.536 62.605 63.100 0.069 0.000 0.841 263 P CB 2.054 33.802 31.700 0.080 0.000 1.042 264 I N 1.902 122.481 120.570 0.015 0.000 2.433 264 I HA 0.277 4.462 4.170 0.026 0.000 0.292 264 I C 0.675 176.784 176.117 -0.013 0.000 1.001 264 I CA -1.127 60.171 61.300 -0.003 0.000 1.119 264 I CB 1.573 39.562 38.000 -0.018 0.000 1.289 264 I HN 0.067 nan 8.210 nan 0.000 0.438 265 K N 4.978 125.368 120.400 -0.015 0.000 2.451 265 K HA 0.016 4.352 4.320 0.026 0.000 0.280 265 K C 0.913 177.495 176.600 -0.030 0.000 1.020 265 K CA -0.072 56.203 56.287 -0.020 0.000 1.008 265 K CB 1.084 33.575 32.500 -0.016 0.000 0.917 265 K HN 0.490 nan 8.250 nan 0.000 0.478 266 L N 3.553 124.758 121.223 -0.030 0.000 2.011 266 L HA -0.273 4.082 4.340 0.026 0.000 0.225 266 L C 0.190 177.042 176.870 -0.031 0.000 1.084 266 L CA 2.068 56.892 54.840 -0.028 0.000 0.791 266 L CB -0.189 41.852 42.059 -0.030 0.000 0.898 266 L HN 0.625 nan 8.230 nan 0.000 0.440 267 N N -2.173 116.512 118.700 -0.025 0.000 2.410 267 N HA 0.514 5.269 4.740 0.026 0.000 0.287 267 N C 0.151 175.659 175.510 -0.003 0.000 1.044 267 N CA 0.320 53.365 53.050 -0.009 0.000 0.881 267 N CB 1.975 40.470 38.487 0.014 0.000 1.405 267 N HN 0.253 nan 8.380 nan 0.000 0.490 268 A N 1.672 124.495 122.820 0.005 0.000 2.030 268 A HA 0.552 4.887 4.320 0.026 0.000 0.215 268 A C 0.425 178.029 177.584 0.032 0.000 1.164 268 A CA 0.909 52.953 52.037 0.012 0.000 0.697 268 A CB 0.150 19.155 19.000 0.008 0.000 0.827 268 A HN 0.629 nan 8.150 nan 0.000 0.457 269 A N -1.234 121.620 122.820 0.056 0.000 2.402 269 A HA 0.559 4.894 4.320 0.026 0.000 0.291 269 A C 0.748 178.380 177.584 0.080 0.000 1.051 269 A CA 0.143 52.224 52.037 0.073 0.000 0.716 269 A CB 0.821 19.890 19.000 0.114 0.000 1.223 269 A HN 0.578 nan 8.150 nan 0.000 0.425 270 G N 0.766 109.602 108.800 0.059 0.000 2.777 270 G HA2 0.249 4.225 3.960 0.026 0.000 0.211 270 G HA3 0.249 4.225 3.960 0.026 0.000 0.211 270 G C 0.781 175.719 174.900 0.063 0.000 1.149 270 G CA 1.340 46.481 45.100 0.068 0.000 0.785 270 G HN 0.628 nan 8.290 nan 0.000 0.536 271 V N 1.240 121.185 119.914 0.051 0.000 2.484 271 V HA 0.058 4.194 4.120 0.026 0.000 0.236 271 V C 2.642 178.763 176.094 0.044 0.000 1.062 271 V CA 0.818 63.136 62.300 0.030 0.000 1.081 271 V CB -0.792 31.033 31.823 0.003 0.000 0.751 271 V HN 0.301 nan 8.190 nan 0.000 0.484 272 I N 1.911 122.527 120.570 0.077 0.000 2.113 272 I HA -0.191 3.994 4.170 0.026 0.000 0.242 272 I C -0.040 176.145 176.117 0.114 0.000 1.064 272 I CA 1.957 63.321 61.300 0.107 0.000 1.320 272 I CB -2.137 35.937 38.000 0.122 0.000 1.028 272 I HN 0.354 nan 8.210 nan 0.000 0.406 273 P HA -0.090 nan 4.420 nan 0.000 0.226 273 P C 1.664 179.012 177.300 0.080 0.000 1.153 273 P CA 1.370 64.591 63.100 0.200 0.000 0.777 273 P CB -0.010 31.858 31.700 0.280 0.000 0.794 274 I N -0.300 120.296 120.570 0.044 0.000 3.035 274 I HA -0.036 4.149 4.170 0.026 0.000 0.271 274 I C 2.504 178.590 176.117 -0.052 0.000 1.190 274 I CA 0.330 61.637 61.300 0.012 0.000 1.472 274 I CB -1.096 36.930 38.000 0.043 0.000 1.116 274 I HN -0.039 nan 8.210 nan 0.000 0.443 275 I N -1.402 119.119 120.570 -0.082 0.000 2.162 275 I HA -0.165 4.021 4.170 0.026 0.000 0.238 275 I C 2.467 178.405 176.117 -0.300 0.000 1.076 275 I CA 1.567 62.773 61.300 -0.155 0.000 1.353 275 I CB -1.111 36.767 38.000 -0.203 0.000 1.063 275 I HN -0.158 nan 8.210 nan 0.000 0.408 276 F N 1.944 121.628 119.950 -0.443 0.000 2.236 276 F HA -0.186 4.356 4.527 0.025 0.000 0.302 276 F C 2.715 177.974 175.800 -0.901 0.000 1.073 276 F CA 1.683 59.267 58.000 -0.694 0.000 1.336 276 F CB -0.658 37.762 39.000 -0.966 0.000 1.040 276 F HN 0.185 nan 8.300 nan 0.000 0.507 277 A N -0.159 122.279 122.820 -0.636 0.000 1.898 277 A HA -0.005 4.331 4.320 0.026 0.000 0.216 277 A C 2.420 179.892 177.584 -0.188 0.000 1.181 277 A CA 1.425 53.226 52.037 -0.393 0.000 0.620 277 A CB -1.247 17.662 19.000 -0.150 0.000 0.819 277 A HN 0.282 nan 8.150 nan 0.000 0.442 278 A N -0.023 122.707 122.820 -0.150 0.000 1.978 278 A HA 0.131 4.466 4.320 0.026 0.000 0.220 278 A C 2.446 179.892 177.584 -0.230 0.000 1.170 278 A CA 2.110 54.068 52.037 -0.131 0.000 0.636 278 A CB -0.946 18.025 19.000 -0.049 0.000 0.810 278 A HN 0.979 nan 8.150 nan 0.000 0.448 279 A N 0.385 123.054 122.820 -0.251 0.000 1.835 279 A HA -0.115 4.221 4.320 0.026 0.000 0.215 279 A C 2.032 179.523 177.584 -0.155 0.000 1.199 279 A CA 1.582 53.483 52.037 -0.228 0.000 0.615 279 A CB -0.763 18.107 19.000 -0.216 0.000 0.838 279 A HN 0.488 nan 8.150 nan 0.000 0.444 280 I N -0.591 119.918 120.570 -0.103 0.000 2.530 280 I HA -0.209 3.976 4.170 0.026 0.000 0.257 280 I C 2.117 178.170 176.117 -0.107 0.000 1.179 280 I CA 0.688 61.962 61.300 -0.044 0.000 1.440 280 I CB -0.323 37.719 38.000 0.070 0.000 1.087 280 I HN 0.243 nan 8.210 nan 0.000 0.440 281 L N 0.393 121.539 121.223 -0.128 0.000 2.362 281 L HA -0.165 4.190 4.340 0.026 0.000 0.219 281 L C 2.328 179.090 176.870 -0.180 0.000 1.134 281 L CA 1.584 56.330 54.840 -0.157 0.000 0.807 281 L CB -0.602 41.400 42.059 -0.095 0.000 0.927 281 L HN 0.292 nan 8.230 nan 0.000 0.447 282 Q N -1.049 118.652 119.800 -0.165 0.000 2.063 282 Q HA -0.096 4.259 4.340 0.026 0.000 0.194 282 Q C 2.171 178.135 176.000 -0.061 0.000 0.974 282 Q CA 0.672 56.394 55.803 -0.135 0.000 0.827 282 Q CB 0.057 28.676 28.738 -0.199 0.000 0.902 282 Q HN 0.290 nan 8.270 nan 0.000 0.462 283 I N 1.778 122.315 120.570 -0.056 0.000 2.143 283 I HA -0.261 3.924 4.170 0.026 0.000 0.245 283 I C -0.635 175.497 176.117 0.025 0.000 1.068 283 I CA 1.666 62.969 61.300 0.005 0.000 1.326 283 I CB -2.004 35.991 38.000 -0.009 0.000 1.028 283 I HN 0.294 nan 8.210 nan 0.000 0.412 284 P HA -0.010 nan 4.420 nan 0.000 0.233 284 P C 1.874 179.194 177.300 0.033 0.000 1.167 284 P CA 1.055 64.132 63.100 -0.039 0.000 0.770 284 P CB 0.059 31.642 31.700 -0.194 0.000 0.837 285 I N -2.668 117.922 120.570 0.033 0.000 2.429 285 I HA -0.073 4.112 4.170 0.026 0.000 0.247 285 I C 1.946 178.142 176.117 0.132 0.000 1.099 285 I CA 0.985 62.347 61.300 0.104 0.000 1.422 285 I CB -0.505 37.551 38.000 0.094 0.000 1.112 285 I HN -0.201 nan 8.210 nan 0.000 0.430 286 F N 0.993 120.953 119.950 0.018 0.000 2.661 286 F HA 0.050 4.592 4.527 0.025 0.000 0.298 286 F C 2.066 177.956 175.800 0.150 0.000 1.137 286 F CA 0.786 58.826 58.000 0.066 0.000 1.454 286 F CB 0.190 39.231 39.000 0.069 0.000 1.103 286 F HN -0.060 nan 8.300 nan 0.000 0.577 287 L N -1.057 120.300 121.223 0.223 0.000 2.240 287 L HA -0.013 4.342 4.340 0.026 0.000 0.211 287 L C 2.190 179.258 176.870 0.329 0.000 1.106 287 L CA 1.032 56.006 54.840 0.223 0.000 0.793 287 L CB -0.225 41.926 42.059 0.153 0.000 0.927 287 L HN 0.139 nan 8.230 nan 0.000 0.446 288 A N -1.476 121.490 122.820 0.242 0.000 2.288 288 A HA 0.326 4.661 4.320 0.026 0.000 0.216 288 A C 2.185 179.896 177.584 0.211 0.000 1.199 288 A CA 0.656 52.884 52.037 0.319 0.000 0.891 288 A CB -0.065 19.052 19.000 0.194 0.000 0.923 288 A HN 0.269 nan 8.150 nan 0.000 0.500 289 A N 1.124 123.914 122.820 -0.050 0.000 1.969 289 A HA 0.060 4.396 4.320 0.026 0.000 0.218 289 A C -0.645 176.680 177.584 -0.431 0.000 1.169 289 A CA 1.549 53.391 52.037 -0.325 0.000 0.635 289 A CB -1.170 17.456 19.000 -0.623 0.000 0.810 289 A HN 0.410 nan 8.150 nan 0.000 0.445 290 P HA 0.213 nan 4.420 nan 0.000 0.253 290 P C -0.667 176.233 177.300 -0.666 0.000 1.459 290 P CA 0.158 62.885 63.100 -0.622 0.000 0.908 290 P CB -0.479 30.698 31.700 -0.870 0.000 1.470 291 F N 0.399 120.324 119.950 -0.041 0.000 2.371 291 F HA 0.279 4.819 4.527 0.023 0.000 0.343 291 F C 1.391 177.201 175.800 0.017 0.000 1.150 291 F CA -0.559 57.449 58.000 0.013 0.000 1.220 291 F CB 0.872 39.893 39.000 0.035 0.000 1.475 291 F HN -0.240 nan 8.300 nan 0.000 0.521 292 Q N 0.401 120.293 119.800 0.153 0.000 2.515 292 Q HA -0.082 4.274 4.340 0.026 0.000 0.212 292 Q C 0.626 176.701 176.000 0.125 0.000 0.970 292 Q CA 0.900 56.782 55.803 0.133 0.000 0.941 292 Q CB 0.237 29.084 28.738 0.180 0.000 0.998 292 Q HN 0.624 nan 8.270 nan 0.000 0.518 293 D N -0.041 120.444 120.400 0.142 0.000 2.716 293 D HA 0.010 4.666 4.640 0.026 0.000 0.273 293 D C 0.269 176.619 176.300 0.082 0.000 1.024 293 D CA 0.006 54.071 54.000 0.108 0.000 0.944 293 D CB 0.310 41.178 40.800 0.112 0.000 1.186 293 D HN 0.186 nan 8.370 nan 0.000 0.485 294 N N 2.014 120.766 118.700 0.087 0.000 2.438 294 N HA 0.009 4.764 4.740 0.026 0.000 0.267 294 N C -1.857 173.673 175.510 0.034 0.000 1.222 294 N CA -1.180 51.891 53.050 0.036 0.000 0.930 294 N CB 2.063 40.541 38.487 -0.015 0.000 1.083 294 N HN -0.093 nan 8.380 nan 0.000 0.476 295 P HA -0.104 nan 4.420 nan 0.000 0.220 295 P C 1.230 178.533 177.300 0.005 0.000 1.148 295 P CA 0.594 63.702 63.100 0.013 0.000 0.803 295 P CB 0.401 32.104 31.700 0.005 0.000 0.782 296 V N -0.641 119.268 119.914 -0.007 0.000 2.346 296 V HA -0.168 3.967 4.120 0.026 0.000 0.244 296 V C 2.378 178.473 176.094 0.001 0.000 1.037 296 V CA 1.416 63.705 62.300 -0.018 0.000 1.029 296 V CB -1.245 30.557 31.823 -0.035 0.000 0.663 296 V HN 0.026 nan 8.190 nan 0.000 0.454 297 L N -0.126 121.102 121.223 0.009 0.000 2.191 297 L HA -0.177 4.179 4.340 0.026 0.000 0.212 297 L C 2.501 179.420 176.870 0.080 0.000 1.103 297 L CA 1.173 56.045 54.840 0.053 0.000 0.769 297 L CB -0.451 41.645 42.059 0.063 0.000 0.908 297 L HN 0.330 nan 8.230 nan 0.000 0.438 298 Q N -0.638 119.198 119.800 0.060 0.000 2.451 298 Q HA 0.043 4.398 4.340 0.026 0.000 0.206 298 Q C 2.029 178.054 176.000 0.042 0.000 0.947 298 Q CA 0.969 56.799 55.803 0.046 0.000 0.937 298 Q CB 0.117 28.878 28.738 0.038 0.000 1.025 298 Q HN 0.511 nan 8.270 nan 0.000 0.511 299 G N 0.393 109.215 108.800 0.037 0.000 2.447 299 G HA2 -0.069 3.907 3.960 0.026 0.000 0.211 299 G HA3 -0.069 3.907 3.960 0.026 0.000 0.211 299 G C 1.418 176.363 174.900 0.075 0.000 1.184 299 G CA -0.160 44.959 45.100 0.032 0.000 0.813 299 G HN 0.284 nan 8.290 nan 0.000 0.540 300 I N 1.635 122.251 120.570 0.077 0.000 2.850 300 I HA -0.108 4.077 4.170 0.026 0.000 0.266 300 I C 2.857 179.143 176.117 0.283 0.000 1.257 300 I CA 0.695 62.100 61.300 0.174 0.000 1.465 300 I CB 0.140 38.240 38.000 0.166 0.000 1.091 300 I HN 0.269 nan 8.210 nan 0.000 0.467 301 A N 0.037 122.965 122.820 0.179 0.000 2.044 301 A HA 0.010 4.345 4.320 0.026 0.000 0.213 301 A C 1.986 179.651 177.584 0.135 0.000 1.169 301 A CA 0.586 52.708 52.037 0.142 0.000 0.724 301 A CB -0.126 18.897 19.000 0.039 0.000 0.840 301 A HN 0.310 nan 8.150 nan 0.000 0.463 302 N N -1.454 117.324 118.700 0.130 0.000 2.415 302 N HA 0.045 4.800 4.740 0.026 0.000 0.174 302 N C 1.302 176.897 175.510 0.141 0.000 1.048 302 N CA 0.463 53.578 53.050 0.108 0.000 0.895 302 N CB -0.141 38.388 38.487 0.070 0.000 1.036 302 N HN 0.457 nan 8.380 nan 0.000 0.449 303 F N 1.635 121.587 119.950 0.002 0.000 2.000 303 F HA -0.117 4.425 4.527 0.026 0.000 0.295 303 F C 1.820 177.607 175.800 -0.022 0.000 1.159 303 F CA 1.424 59.381 58.000 -0.071 0.000 1.171 303 F CB -0.689 38.192 39.000 -0.197 0.000 0.971 303 F HN -0.182 nan 8.300 nan 0.000 0.479 304 F N 0.983 121.006 119.950 0.123 0.000 2.346 304 F HA -0.184 4.358 4.527 0.026 0.000 0.301 304 F C 1.029 176.820 175.800 -0.015 0.000 1.070 304 F CA 0.993 58.996 58.000 0.006 0.000 1.407 304 F CB -1.622 37.463 39.000 0.142 0.000 1.072 304 F HN -0.008 nan 8.300 nan 0.000 0.543 305 N N 2.586 121.391 118.700 0.174 0.000 2.182 305 N HA -0.124 4.631 4.740 0.026 0.000 0.283 305 N C -1.682 173.882 175.510 0.090 0.000 1.380 305 N CA -0.510 52.610 53.050 0.117 0.000 0.874 305 N CB 0.467 39.009 38.487 0.093 0.000 1.190 305 N HN 0.047 nan 8.380 nan 0.000 0.494 306 P HA -0.026 nan 4.420 nan 0.000 0.242 306 P C 0.557 177.922 177.300 0.110 0.000 1.197 306 P CA 0.816 63.979 63.100 0.106 0.000 0.765 306 P CB -0.045 31.728 31.700 0.122 0.000 0.936 307 T N -4.211 110.415 114.554 0.120 0.000 3.086 307 T HA 0.208 4.573 4.350 0.026 0.000 0.250 307 T C 0.794 175.623 174.700 0.215 0.000 1.074 307 T CA -0.306 61.893 62.100 0.165 0.000 0.988 307 T CB -0.103 68.831 68.868 0.110 0.000 0.988 307 T HN -0.150 nan 8.240 nan 0.000 0.530 308 R N 1.611 122.175 120.500 0.107 0.000 2.437 308 R HA 0.394 4.750 4.340 0.026 0.000 0.310 308 R C -2.215 174.080 176.300 -0.009 0.000 0.955 308 R CA -3.031 53.094 56.100 0.042 0.000 0.851 308 R CB 1.173 31.480 30.300 0.011 0.000 1.161 308 R HN -0.073 nan 8.270 nan 0.000 0.446 309 P HA -0.273 nan 4.420 nan 0.000 0.223 309 P C 0.792 178.071 177.300 -0.035 0.000 1.153 309 P CA 1.614 64.709 63.100 -0.008 0.000 0.853 309 P CB 0.416 32.098 31.700 -0.031 0.000 0.777 310 S N -1.601 114.004 115.700 -0.158 0.000 2.398 310 S HA 0.090 4.575 4.470 0.026 0.000 0.220 310 S C 2.176 176.530 174.600 -0.409 0.000 1.046 310 S CA 0.929 58.931 58.200 -0.331 0.000 0.953 310 S CB -1.043 61.775 63.200 -0.638 0.000 0.856 310 S HN 0.253 nan 8.310 nan 0.000 0.506 311 G N 2.007 110.529 108.800 -0.463 0.000 2.442 311 G HA2 -0.198 3.777 3.960 0.026 0.000 0.219 311 G HA3 -0.198 3.777 3.960 0.026 0.000 0.219 311 G C 1.421 176.333 174.900 0.019 0.000 1.141 311 G CA 0.998 45.988 45.100 -0.183 0.000 0.763 311 G HN 0.389 nan 8.290 nan 0.000 0.554 312 L N -0.432 120.808 121.223 0.028 0.000 2.012 312 L HA 0.004 4.359 4.340 0.026 0.000 0.210 312 L C 2.509 179.452 176.870 0.122 0.000 1.073 312 L CA 1.914 56.807 54.840 0.089 0.000 0.748 312 L CB -0.489 41.629 42.059 0.098 0.000 0.891 312 L HN 0.255 nan 8.230 nan 0.000 0.431 313 F N -0.567 119.362 119.950 -0.035 0.000 2.161 313 F HA -0.239 4.303 4.527 0.025 0.000 0.300 313 F C 2.112 177.929 175.800 0.030 0.000 1.089 313 F CA 1.605 59.600 58.000 -0.008 0.000 1.282 313 F CB -0.013 38.966 39.000 -0.035 0.000 1.010 313 F HN 0.073 nan 8.300 nan 0.000 0.485 314 I N -0.079 120.543 120.570 0.087 0.000 2.761 314 I HA -0.191 3.995 4.170 0.026 0.000 0.261 314 I C 2.312 178.480 176.117 0.084 0.000 1.198 314 I CA 0.991 62.357 61.300 0.111 0.000 1.482 314 I CB -0.351 37.850 38.000 0.336 0.000 1.100 314 I HN 0.202 nan 8.210 nan 0.000 0.445 315 E N 0.496 120.742 120.200 0.076 0.000 2.112 315 E HA -0.140 4.226 4.350 0.026 0.000 0.190 315 E C 2.252 178.871 176.600 0.031 0.000 0.979 315 E CA 0.965 57.406 56.400 0.068 0.000 0.814 315 E CB 0.284 30.037 29.700 0.089 0.000 0.762 315 E HN 0.256 nan 8.360 nan 0.000 0.460 316 V N 1.710 121.616 119.914 -0.014 0.000 2.220 316 V HA -0.285 3.850 4.120 0.026 0.000 0.246 316 V C 2.511 178.561 176.094 -0.074 0.000 1.049 316 V CA 1.765 64.034 62.300 -0.052 0.000 1.003 316 V CB -0.752 30.993 31.823 -0.129 0.000 0.634 316 V HN 0.332 nan 8.190 nan 0.000 0.444 317 L N -0.259 120.863 121.223 -0.169 0.000 1.980 317 L HA -0.261 4.095 4.340 0.026 0.000 0.232 317 L C 2.280 179.149 176.870 -0.001 0.000 1.092 317 L CA 2.460 57.224 54.840 -0.126 0.000 0.808 317 L CB -0.891 41.074 42.059 -0.157 0.000 0.908 317 L HN 0.284 nan 8.230 nan 0.000 0.442 318 L N -1.099 120.150 121.223 0.043 0.000 2.127 318 L HA -0.166 4.189 4.340 0.026 0.000 0.211 318 L C 2.387 179.349 176.870 0.155 0.000 1.089 318 L CA 1.665 56.575 54.840 0.117 0.000 0.757 318 L CB -0.676 41.445 42.059 0.104 0.000 0.899 318 L HN 0.239 nan 8.230 nan 0.000 0.434 319 V N -0.784 119.190 119.914 0.099 0.000 2.548 319 V HA -0.236 3.899 4.120 0.026 0.000 0.249 319 V C 2.298 178.475 176.094 0.138 0.000 1.055 319 V CA 1.588 63.953 62.300 0.108 0.000 1.065 319 V CB -0.138 31.729 31.823 0.074 0.000 0.681 319 V HN 0.364 nan 8.190 nan 0.000 0.462 320 I N -0.656 119.978 120.570 0.107 0.000 2.130 320 I HA -0.228 3.957 4.170 0.026 0.000 0.234 320 I C 2.271 178.477 176.117 0.149 0.000 1.067 320 I CA 1.724 63.090 61.300 0.111 0.000 1.339 320 I CB -0.390 37.644 38.000 0.057 0.000 1.073 320 I HN 0.216 nan 8.210 nan 0.000 0.405 321 L N -0.423 120.867 121.223 0.112 0.000 2.362 321 L HA -0.161 4.194 4.340 0.026 0.000 0.219 321 L C 2.227 179.172 176.870 0.125 0.000 1.134 321 L CA 1.055 55.945 54.840 0.083 0.000 0.807 321 L CB -0.162 41.887 42.059 -0.017 0.000 0.927 321 L HN 0.099 nan 8.230 nan 0.000 0.447 322 F N -0.223 119.774 119.950 0.078 0.000 2.259 322 F HA -0.152 4.390 4.527 0.025 0.000 0.298 322 F C 2.312 178.190 175.800 0.131 0.000 1.088 322 F CA 1.644 59.698 58.000 0.091 0.000 1.358 322 F CB -0.374 38.669 39.000 0.070 0.000 1.040 322 F HN 0.021 nan 8.300 nan 0.000 0.505 323 T N -0.623 114.139 114.554 0.348 0.000 2.622 323 T HA -0.301 4.064 4.350 0.026 0.000 0.266 323 T C 1.627 176.458 174.700 0.220 0.000 1.047 323 T CA 1.976 64.234 62.100 0.263 0.000 1.159 323 T CB -0.939 68.049 68.868 0.199 0.000 0.863 323 T HN 0.325 nan 8.240 nan 0.000 0.422 324 Y N 1.867 122.206 120.300 0.065 0.000 2.081 324 Y HA -0.188 4.377 4.550 0.026 0.000 0.280 324 Y C 2.339 178.219 175.900 -0.033 0.000 1.163 324 Y CA 1.013 59.115 58.100 0.004 0.000 1.135 324 Y CB -0.644 37.802 38.460 -0.024 0.000 0.970 324 Y HN 0.021 nan 8.280 nan 0.000 0.498 325 V N -1.234 118.829 119.914 0.248 0.000 3.129 325 V HA -0.195 3.940 4.120 0.026 0.000 0.259 325 V C 1.632 177.709 176.094 -0.027 0.000 1.116 325 V CA 1.400 63.748 62.300 0.080 0.000 1.127 325 V CB -0.955 30.814 31.823 -0.091 0.000 0.742 325 V HN 0.425 nan 8.190 nan 0.000 0.474 326 Y N 1.324 121.564 120.300 -0.100 0.000 2.475 326 Y HA -0.026 4.540 4.550 0.026 0.000 0.289 326 Y C 2.246 178.120 175.900 -0.043 0.000 1.121 326 Y CA 1.084 59.143 58.100 -0.068 0.000 1.257 326 Y CB 0.049 38.537 38.460 0.047 0.000 1.026 326 Y HN 0.200 nan 8.280 nan 0.000 0.555 327 T N 0.221 114.796 114.554 0.036 0.000 3.361 327 T HA 0.271 4.637 4.350 0.026 0.000 0.251 327 T C 0.632 175.226 174.700 -0.177 0.000 1.131 327 T CA 0.750 62.799 62.100 -0.086 0.000 1.001 327 T CB -0.510 68.290 68.868 -0.112 0.000 1.003 327 T HN 0.314 nan 8.240 nan 0.000 0.558 328 A N 0.489 123.212 122.820 -0.161 0.000 3.165 328 A HA 0.568 4.904 4.320 0.026 0.000 0.212 328 A C 0.880 178.331 177.584 -0.222 0.000 0.935 328 A CA -0.482 51.460 52.037 -0.157 0.000 1.100 328 A CB -0.062 18.919 19.000 -0.031 0.000 1.260 328 A HN 0.313 nan 8.150 nan 0.000 0.532 329 V N -4.356 115.349 119.914 -0.350 0.000 3.442 329 V HA 0.262 4.397 4.120 0.026 0.000 0.205 329 V C 0.535 176.329 176.094 -0.501 0.000 1.320 329 V CA -0.007 62.036 62.300 -0.429 0.000 1.306 329 V CB -0.986 30.522 31.823 -0.525 0.000 1.267 329 V HN 0.298 nan 8.190 nan 0.000 0.538 330 Q N 0.140 119.639 119.800 -0.502 0.000 2.584 330 Q HA 0.258 4.613 4.340 0.026 0.000 0.235 330 Q C -0.324 175.476 176.000 -0.334 0.000 1.079 330 Q CA 0.142 55.715 55.803 -0.383 0.000 0.977 330 Q CB 0.422 29.014 28.738 -0.244 0.000 1.293 330 Q HN 0.620 nan 8.270 nan 0.000 0.553 331 F N 1.015 120.916 119.950 -0.083 0.000 2.913 331 F HA 0.028 4.570 4.527 0.025 0.000 0.293 331 F C 1.069 176.846 175.800 -0.038 0.000 1.223 331 F CA -0.054 57.915 58.000 -0.053 0.000 1.393 331 F CB 0.020 38.998 39.000 -0.035 0.000 1.102 331 F HN 0.396 nan 8.300 nan 0.000 0.524 332 D N 0.976 121.410 120.400 0.057 0.000 2.106 332 D HA -0.072 4.583 4.640 0.026 0.000 0.203 332 D C -0.282 176.042 176.300 0.040 0.000 0.977 332 D CA 1.172 55.197 54.000 0.042 0.000 0.844 332 D CB -1.547 39.255 40.800 0.004 0.000 1.002 332 D HN 0.165 nan 8.370 nan 0.000 0.461 333 P HA -0.158 nan 4.420 nan 0.000 0.216 333 P C 1.428 178.757 177.300 0.048 0.000 1.150 333 P CA 1.508 64.620 63.100 0.020 0.000 0.843 333 P CB 0.036 31.731 31.700 -0.008 0.000 0.787 334 K N -0.490 119.957 120.400 0.078 0.000 2.025 334 K HA -0.161 4.174 4.320 0.026 0.000 0.207 334 K C 2.361 179.012 176.600 0.085 0.000 1.049 334 K CA 0.912 57.262 56.287 0.105 0.000 0.933 334 K CB -0.255 32.366 32.500 0.201 0.000 0.714 334 K HN -0.179 nan 8.250 nan 0.000 0.438 335 R N 1.235 121.792 120.500 0.094 0.000 2.094 335 R HA -0.162 4.194 4.340 0.026 0.000 0.239 335 R C 2.232 178.565 176.300 0.055 0.000 1.137 335 R CA 1.763 57.901 56.100 0.063 0.000 0.943 335 R CB -0.726 29.613 30.300 0.066 0.000 0.850 335 R HN 0.290 nan 8.270 nan 0.000 0.433 336 I N 0.535 121.138 120.570 0.056 0.000 2.127 336 I HA -0.294 3.891 4.170 0.026 0.000 0.241 336 I C 2.579 178.730 176.117 0.057 0.000 1.075 336 I CA 1.622 62.955 61.300 0.055 0.000 1.334 336 I CB -0.519 37.510 38.000 0.048 0.000 1.040 336 I HN 0.194 nan 8.210 nan 0.000 0.405 337 A N -0.161 122.690 122.820 0.051 0.000 2.024 337 A HA -0.281 4.055 4.320 0.026 0.000 0.220 337 A C 2.299 179.903 177.584 0.034 0.000 1.164 337 A CA 2.102 54.166 52.037 0.045 0.000 0.643 337 A CB -0.647 18.378 19.000 0.042 0.000 0.806 337 A HN 0.561 nan 8.150 nan 0.000 0.451 338 E N -0.986 119.233 120.200 0.031 0.000 2.122 338 E HA -0.070 4.295 4.350 0.026 0.000 0.190 338 E C 1.960 178.568 176.600 0.012 0.000 0.977 338 E CA 0.856 57.260 56.400 0.008 0.000 0.820 338 E CB -0.056 29.643 29.700 -0.002 0.000 0.770 338 E HN 0.519 nan 8.360 nan 0.000 0.462 339 S N 0.038 115.776 115.700 0.063 0.000 2.561 339 S HA 0.056 4.542 4.470 0.026 0.000 0.225 339 S C 1.372 176.082 174.600 0.183 0.000 0.977 339 S CA -0.056 58.231 58.200 0.144 0.000 0.926 339 S CB 0.018 63.318 63.200 0.166 0.000 0.769 339 S HN 0.321 nan 8.310 nan 0.000 0.533 340 L N 1.502 122.790 121.223 0.109 0.000 2.611 340 L HA 0.323 4.679 4.340 0.026 0.000 0.229 340 L C 1.623 178.509 176.870 0.026 0.000 1.137 340 L CA 0.590 55.481 54.840 0.086 0.000 0.901 340 L CB -0.281 41.812 42.059 0.058 0.000 1.098 340 L HN 0.422 nan 8.230 nan 0.000 0.456 341 R N -0.787 119.719 120.500 0.010 0.000 2.215 341 R HA -0.027 4.328 4.340 0.026 0.000 0.190 341 R C 1.766 178.002 176.300 -0.107 0.000 0.968 341 R CA 0.721 56.799 56.100 -0.038 0.000 1.122 341 R CB -0.122 30.156 30.300 -0.037 0.000 1.151 341 R HN 0.084 nan 8.270 nan 0.000 0.582 342 E N -0.596 119.460 120.200 -0.239 0.000 2.427 342 E HA -0.069 4.297 4.350 0.026 0.000 0.196 342 E C 0.193 176.449 176.600 -0.573 0.000 1.028 342 E CA 0.983 57.081 56.400 -0.503 0.000 0.864 342 E CB 0.150 29.378 29.700 -0.788 0.000 0.813 342 E HN 0.650 nan 8.360 nan 0.000 0.514 343 Y N -2.139 118.176 120.300 0.025 0.000 2.563 343 Y HA 0.356 4.921 4.550 0.026 0.000 0.250 343 Y C 1.078 177.105 175.900 0.211 0.000 1.126 343 Y CA -0.247 57.903 58.100 0.084 0.000 1.231 343 Y CB 1.956 40.473 38.460 0.095 0.000 1.288 343 Y HN 0.124 nan 8.280 nan 0.000 0.537 344 G N 0.551 109.453 108.800 0.169 0.000 2.141 344 G HA2 -0.128 3.847 3.960 0.026 0.000 0.164 344 G HA3 -0.128 3.847 3.960 0.026 0.000 0.164 344 G C 0.279 174.865 174.900 -0.523 0.000 1.009 344 G CA -0.287 44.831 45.100 0.030 0.000 0.677 344 G HN 0.601 nan 8.290 nan 0.000 0.508 345 G N -0.425 107.862 108.800 -0.855 0.000 2.491 345 G HA2 1.039 5.015 3.960 0.026 0.000 0.327 345 G HA3 1.039 5.015 3.960 0.026 0.000 0.327 345 G C -0.525 174.067 174.900 -0.514 0.000 1.189 345 G CA -0.518 43.670 45.100 -1.520 0.000 0.956 345 G HN 1.412 nan 8.290 nan 0.000 0.491 346 F N -1.893 117.865 119.950 -0.321 0.000 2.725 346 F HA 0.567 5.109 4.527 0.026 0.000 0.309 346 F C -1.119 174.647 175.800 -0.056 0.000 1.132 346 F CA -1.660 56.254 58.000 -0.143 0.000 0.957 346 F CB 0.755 39.670 39.000 -0.140 0.000 1.286 346 F HN 0.425 nan 8.300 nan 0.000 0.440 347 I N 2.827 123.510 120.570 0.189 0.000 2.385 347 I HA 0.419 4.604 4.170 0.026 0.000 0.294 347 I C -2.188 173.989 176.117 0.100 0.000 0.988 347 I CA -2.208 59.166 61.300 0.123 0.000 1.265 347 I CB 1.480 39.529 38.000 0.082 0.000 1.388 347 I HN 0.335 nan 8.210 nan 0.000 0.480 348 P HA -0.019 nan 4.420 nan 0.000 0.257 348 P C 0.876 178.143 177.300 -0.054 0.000 1.189 348 P CA 0.788 63.916 63.100 0.046 0.000 0.780 348 P CB 0.402 32.137 31.700 0.059 0.000 0.772 349 G N 3.472 112.230 108.800 -0.069 0.000 2.234 349 G HA2 -0.231 3.744 3.960 0.026 0.000 0.260 349 G HA3 -0.231 3.744 3.960 0.026 0.000 0.260 349 G C 0.202 174.999 174.900 -0.173 0.000 0.987 349 G CA -0.336 44.695 45.100 -0.114 0.000 0.625 349 G HN 0.491 nan 8.290 nan 0.000 0.532 350 I N 1.935 122.379 120.570 -0.210 0.000 2.365 350 I HA 0.396 4.582 4.170 0.026 0.000 0.291 350 I C 1.101 177.130 176.117 -0.146 0.000 1.004 350 I CA -0.580 60.557 61.300 -0.272 0.000 1.311 350 I CB 0.993 38.755 38.000 -0.398 0.000 1.401 350 I HN 0.167 nan 8.210 nan 0.000 0.491 351 R N 6.836 127.260 120.500 -0.126 0.000 2.532 351 R HA 0.494 4.850 4.340 0.026 0.000 0.272 351 R C -2.360 173.913 176.300 -0.046 0.000 1.032 351 R CA -1.514 54.538 56.100 -0.079 0.000 1.089 351 R CB 0.463 30.721 30.300 -0.071 0.000 1.098 351 R HN 0.365 nan 8.270 nan 0.000 0.526 352 P HA 0.276 nan 4.420 nan 0.000 0.294 352 P C 0.045 177.339 177.300 -0.009 0.000 1.294 352 P CA -0.054 63.040 63.100 -0.010 0.000 0.827 352 P CB 1.867 33.562 31.700 -0.009 0.000 0.992 353 G N 3.001 111.802 108.800 0.002 0.000 1.819 353 G HA2 -0.173 3.802 3.960 0.026 0.000 0.217 353 G HA3 -0.173 3.802 3.960 0.026 0.000 0.217 353 G C 0.724 175.630 174.900 0.010 0.000 1.982 353 G CA -0.111 44.991 45.100 0.002 0.000 1.468 353 G HN 0.460 nan 8.290 nan 0.000 0.474 354 E N 1.032 121.236 120.200 0.007 0.000 2.206 354 E HA 0.104 4.469 4.350 0.026 0.000 0.195 354 E C -1.187 175.428 176.600 0.025 0.000 0.935 354 E CA 0.516 56.925 56.400 0.014 0.000 0.875 354 E CB 0.620 30.325 29.700 0.007 0.000 0.841 354 E HN 0.354 nan 8.360 nan 0.000 0.477 355 P HA 0.080 nan 4.420 nan 0.000 0.255 355 P C 0.256 177.582 177.300 0.043 0.000 1.357 355 P CA 0.766 63.878 63.100 0.019 0.000 0.839 355 P CB 0.130 31.812 31.700 -0.029 0.000 1.356 356 T N -2.500 112.088 114.554 0.057 0.000 3.014 356 T HA 0.071 4.437 4.350 0.026 0.000 0.250 356 T C 1.638 176.406 174.700 0.113 0.000 1.060 356 T CA 0.208 62.368 62.100 0.101 0.000 1.040 356 T CB -0.155 68.752 68.868 0.066 0.000 0.971 356 T HN -0.108 nan 8.240 nan 0.000 0.497 357 V N 1.698 121.660 119.914 0.080 0.000 2.273 357 V HA 0.001 4.136 4.120 0.026 0.000 0.242 357 V C 2.327 178.470 176.094 0.082 0.000 1.035 357 V CA 1.424 63.763 62.300 0.064 0.000 1.013 357 V CB -0.253 31.593 31.823 0.040 0.000 0.652 357 V HN 0.314 nan 8.190 nan 0.000 0.452 358 K N -1.135 119.321 120.400 0.093 0.000 2.486 358 K HA -0.013 4.323 4.320 0.026 0.000 0.194 358 K C 1.771 178.467 176.600 0.159 0.000 1.033 358 K CA 0.680 57.028 56.287 0.102 0.000 1.004 358 K CB -0.040 32.504 32.500 0.073 0.000 0.798 358 K HN 0.414 nan 8.250 nan 0.000 0.495 359 F N 0.697 120.656 119.950 0.015 0.000 2.664 359 F HA 0.073 4.616 4.527 0.026 0.000 0.296 359 F C 1.369 177.204 175.800 0.057 0.000 1.125 359 F CA 0.578 58.591 58.000 0.021 0.000 1.444 359 F CB 0.269 39.273 39.000 0.007 0.000 1.114 359 F HN -0.129 nan 8.300 nan 0.000 0.576 360 L N -0.799 120.471 121.223 0.079 0.000 2.253 360 L HA 0.024 4.379 4.340 0.026 0.000 0.205 360 L C 2.155 179.020 176.870 -0.009 0.000 1.078 360 L CA 0.635 55.471 54.840 -0.007 0.000 0.805 360 L CB -0.510 41.567 42.059 0.029 0.000 0.963 360 L HN -0.023 nan 8.230 nan 0.000 0.459 361 E N -0.440 119.782 120.200 0.036 0.000 2.333 361 E HA -0.272 4.093 4.350 0.026 0.000 0.198 361 E C 1.848 178.483 176.600 0.058 0.000 1.007 361 E CA 0.821 57.244 56.400 0.039 0.000 0.845 361 E CB 0.157 29.891 29.700 0.055 0.000 0.766 361 E HN 0.412 nan 8.360 nan 0.000 0.507 362 H N -0.673 118.362 119.070 -0.058 0.000 2.448 362 H HA 0.093 4.664 4.556 0.026 0.000 0.292 362 H C 1.692 176.957 175.328 -0.105 0.000 1.035 362 H CA 1.175 57.178 56.048 -0.074 0.000 1.349 362 H CB 0.276 29.984 29.762 -0.091 0.000 1.425 362 H HN 0.124 nan 8.280 nan 0.000 0.539 363 I N -0.805 119.707 120.570 -0.096 0.000 2.339 363 I HA -0.133 4.053 4.170 0.026 0.000 0.245 363 I C 1.431 177.456 176.117 -0.153 0.000 1.096 363 I CA 0.603 61.814 61.300 -0.148 0.000 1.408 363 I CB 0.213 38.117 38.000 -0.161 0.000 1.092 363 I HN 0.037 nan 8.210 nan 0.000 0.423 364 V N 0.032 119.852 119.914 -0.158 0.000 3.592 364 V HA -0.041 4.095 4.120 0.026 0.000 0.272 364 V C 1.446 177.376 176.094 -0.272 0.000 1.228 364 V CA 0.988 63.141 62.300 -0.244 0.000 1.173 364 V CB -0.594 31.067 31.823 -0.269 0.000 0.873 364 V HN 0.289 nan 8.190 nan 0.000 0.476 365 S N -0.587 115.030 115.700 -0.138 0.000 2.539 365 S HA 0.264 4.750 4.470 0.026 0.000 0.221 365 S C 1.716 176.231 174.600 -0.141 0.000 0.987 365 S CA -0.212 57.959 58.200 -0.047 0.000 0.929 365 S CB 0.326 63.510 63.200 -0.026 0.000 0.832 365 S HN 0.552 nan 8.310 nan 0.000 0.492 366 R N -0.182 120.211 120.500 -0.179 0.000 2.342 366 R HA 0.400 4.755 4.340 0.026 0.000 0.204 366 R C 1.412 177.654 176.300 -0.098 0.000 0.882 366 R CA 0.134 56.129 56.100 -0.176 0.000 1.041 366 R CB 0.171 30.362 30.300 -0.182 0.000 1.188 366 R HN 0.253 nan 8.270 nan 0.000 0.598 367 L N -0.084 121.084 121.223 -0.091 0.000 2.185 367 L HA 0.078 4.433 4.340 0.026 0.000 0.198 367 L C 0.894 177.743 176.870 -0.035 0.000 1.079 367 L CA 0.988 55.809 54.840 -0.032 0.000 0.780 367 L CB 0.097 42.119 42.059 -0.062 0.000 0.955 367 L HN 0.013 nan 8.230 nan 0.000 0.462 368 T N 0.921 115.399 114.554 -0.126 0.000 3.667 368 T HA 0.109 4.474 4.350 0.026 0.000 0.240 368 T C 0.882 175.607 174.700 0.041 0.000 0.919 368 T CA 0.328 62.373 62.100 -0.091 0.000 0.928 368 T CB -0.063 68.620 68.868 -0.309 0.000 1.151 368 T HN 0.171 nan 8.240 nan 0.000 0.644 369 L N -1.514 119.694 121.223 -0.025 0.000 2.777 369 L HA 0.352 4.707 4.340 0.026 0.000 0.172 369 L C 1.452 178.270 176.870 -0.087 0.000 1.179 369 L CA -0.031 54.737 54.840 -0.121 0.000 0.859 369 L CB 0.204 42.046 42.059 -0.362 0.000 1.269 369 L HN 0.354 nan 8.230 nan 0.000 0.511 370 W N 0.706 122.031 121.300 0.043 0.000 2.363 370 W HA -0.060 4.615 4.660 0.026 0.000 0.296 370 W C 2.182 178.743 176.519 0.071 0.000 1.212 370 W CA 0.718 58.092 57.345 0.049 0.000 1.260 370 W CB -0.808 28.662 29.460 0.017 0.000 1.131 370 W HN 0.336 nan 8.180 nan 0.000 0.530 371 G N 0.917 109.864 108.800 0.244 0.000 2.866 371 G HA2 -0.234 3.741 3.960 0.026 0.000 0.207 371 G HA3 -0.234 3.741 3.960 0.026 0.000 0.207 371 G C 1.611 176.640 174.900 0.216 0.000 1.402 371 G CA 1.718 46.918 45.100 0.166 0.000 0.830 371 G HN 0.276 nan 8.290 nan 0.000 0.644 372 A N -0.027 122.897 122.820 0.174 0.000 2.186 372 A HA 0.054 4.389 4.320 0.026 0.000 0.219 372 A C 2.323 180.014 177.584 0.179 0.000 1.159 372 A CA 1.797 53.944 52.037 0.184 0.000 0.680 372 A CB -0.445 18.655 19.000 0.167 0.000 0.787 372 A HN 0.734 nan 8.150 nan 0.000 0.467 373 L N -1.355 119.980 121.223 0.186 0.000 1.971 373 L HA -0.184 4.172 4.340 0.026 0.000 0.215 373 L C 2.162 179.155 176.870 0.205 0.000 1.072 373 L CA 2.752 57.698 54.840 0.177 0.000 0.758 373 L CB -0.803 41.386 42.059 0.216 0.000 0.889 373 L HN 0.349 nan 8.230 nan 0.000 0.433 374 F N 0.144 120.158 119.950 0.107 0.000 2.045 374 F HA -0.324 4.218 4.527 0.026 0.000 0.297 374 F C 2.134 177.974 175.800 0.066 0.000 1.114 374 F CA 2.461 60.510 58.000 0.082 0.000 1.207 374 F CB -0.521 38.521 39.000 0.071 0.000 0.964 374 F HN 0.110 nan 8.300 nan 0.000 0.486 375 L N -0.453 120.905 121.223 0.225 0.000 2.131 375 L HA -0.167 4.189 4.340 0.026 0.000 0.210 375 L C 2.710 179.604 176.870 0.041 0.000 1.092 375 L CA 1.203 56.110 54.840 0.111 0.000 0.759 375 L CB -1.378 40.781 42.059 0.167 0.000 0.903 375 L HN 0.382 nan 8.230 nan 0.000 0.435 376 G N -0.152 108.680 108.800 0.053 0.000 2.404 376 G HA2 -0.243 3.732 3.960 0.026 0.000 0.214 376 G HA3 -0.243 3.732 3.960 0.026 0.000 0.214 376 G C 1.517 176.424 174.900 0.011 0.000 1.189 376 G CA 0.411 45.527 45.100 0.027 0.000 0.789 376 G HN 0.198 nan 8.290 nan 0.000 0.533 377 L N 0.874 122.098 121.223 0.000 0.000 2.131 377 L HA 0.039 4.395 4.340 0.026 0.000 0.210 377 L C 2.812 179.645 176.870 -0.062 0.000 1.092 377 L CA 1.062 55.896 54.840 -0.010 0.000 0.759 377 L CB -0.285 41.764 42.059 -0.015 0.000 0.903 377 L HN 0.066 nan 8.230 nan 0.000 0.435 378 V N -0.457 119.354 119.914 -0.173 0.000 2.568 378 V HA -0.277 3.858 4.120 0.026 0.000 0.253 378 V C 2.273 178.353 176.094 -0.024 0.000 1.072 378 V CA 2.128 64.312 62.300 -0.194 0.000 1.084 378 V CB -0.902 30.767 31.823 -0.256 0.000 0.676 378 V HN 0.738 nan 8.190 nan 0.000 0.469 379 T N -2.194 112.371 114.554 0.018 0.000 3.057 379 T HA 0.063 4.428 4.350 0.026 0.000 0.254 379 T C 1.624 176.383 174.700 0.100 0.000 1.094 379 T CA 0.586 62.726 62.100 0.067 0.000 1.088 379 T CB 0.189 69.092 68.868 0.059 0.000 0.934 379 T HN 0.319 nan 8.240 nan 0.000 0.497 380 L N 0.892 122.174 121.223 0.097 0.000 2.145 380 L HA 0.398 4.753 4.340 0.026 0.000 0.201 380 L C 1.980 178.928 176.870 0.130 0.000 1.075 380 L CA 1.317 56.227 54.840 0.116 0.000 0.773 380 L CB -0.428 41.700 42.059 0.114 0.000 0.936 380 L HN 0.163 nan 8.230 nan 0.000 0.451 381 L N -0.390 120.924 121.223 0.152 0.000 2.240 381 L HA 0.036 4.392 4.340 0.026 0.000 0.211 381 L C -0.595 176.339 176.870 0.107 0.000 1.106 381 L CA 0.319 55.236 54.840 0.129 0.000 0.793 381 L CB -1.880 40.285 42.059 0.177 0.000 0.927 381 L HN 0.219 nan 8.230 nan 0.000 0.446 382 P HA -0.178 nan 4.420 nan 0.000 0.222 382 P C 1.462 178.860 177.300 0.164 0.000 1.147 382 P CA 0.947 64.186 63.100 0.232 0.000 0.790 382 P CB 0.124 32.045 31.700 0.369 0.000 0.780 383 Q N -0.255 119.635 119.800 0.149 0.000 2.187 383 Q HA -0.070 4.285 4.340 0.026 0.000 0.199 383 Q C 1.844 177.897 176.000 0.088 0.000 0.957 383 Q CA 1.361 57.250 55.803 0.143 0.000 0.857 383 Q CB -0.923 27.903 28.738 0.146 0.000 0.929 383 Q HN 0.081 nan 8.270 nan 0.000 0.453 384 I N 0.315 120.918 120.570 0.055 0.000 2.353 384 I HA -0.197 3.988 4.170 0.026 0.000 0.248 384 I C 2.235 178.336 176.117 -0.027 0.000 1.119 384 I CA 0.980 62.284 61.300 0.007 0.000 1.417 384 I CB -1.032 36.966 38.000 -0.003 0.000 1.078 384 I HN 0.275 nan 8.210 nan 0.000 0.421 385 I N 0.644 121.191 120.570 -0.038 0.000 2.163 385 I HA -0.328 3.857 4.170 0.026 0.000 0.243 385 I C 2.149 178.254 176.117 -0.020 0.000 1.085 385 I CA 1.525 62.794 61.300 -0.052 0.000 1.347 385 I CB -0.291 37.697 38.000 -0.020 0.000 1.044 385 I HN 0.329 nan 8.210 nan 0.000 0.408 386 Q N 0.109 119.930 119.800 0.036 0.000 2.466 386 Q HA -0.027 4.328 4.340 0.026 0.000 0.210 386 Q C 0.876 176.904 176.000 0.047 0.000 0.961 386 Q CA 0.389 56.242 55.803 0.084 0.000 0.953 386 Q CB -0.064 28.831 28.738 0.262 0.000 1.011 386 Q HN 0.606 nan 8.270 nan 0.000 0.516 387 N N -1.088 117.611 118.700 -0.002 0.000 2.184 387 N HA 0.158 4.914 4.740 0.026 0.000 0.206 387 N C 0.811 176.289 175.510 -0.053 0.000 1.151 387 N CA 0.030 53.055 53.050 -0.042 0.000 0.878 387 N CB 0.691 39.158 38.487 -0.034 0.000 1.014 387 N HN 0.109 nan 8.380 nan 0.000 0.512 388 L N -0.605 120.585 121.223 -0.055 0.000 2.624 388 L HA 0.180 4.536 4.340 0.026 0.000 0.222 388 L C 1.707 178.540 176.870 -0.062 0.000 1.046 388 L CA 0.471 55.271 54.840 -0.067 0.000 0.872 388 L CB -0.032 41.974 42.059 -0.089 0.000 1.190 388 L HN 0.156 nan 8.230 nan 0.000 0.487 389 T N -2.748 111.769 114.554 -0.063 0.000 2.759 389 T HA 0.286 4.652 4.350 0.026 0.000 0.181 389 T C 1.122 175.773 174.700 -0.082 0.000 0.682 389 T CA 0.560 62.627 62.100 -0.056 0.000 2.176 389 T CB -0.089 68.746 68.868 -0.055 0.000 2.720 389 T HN 0.094 nan 8.240 nan 0.000 0.380 390 G N 0.440 109.156 108.800 -0.141 0.000 4.162 390 G HA2 0.474 4.449 3.960 0.026 0.000 0.252 390 G HA3 0.474 4.449 3.960 0.026 0.000 0.252 390 G C -0.324 174.434 174.900 -0.238 0.000 1.064 390 G CA -0.381 44.620 45.100 -0.166 0.000 0.850 390 G HN 0.781 nan 8.290 nan 0.000 0.454 391 I N -2.325 118.070 120.570 -0.292 0.000 2.692 391 I HA 0.667 4.852 4.170 0.026 0.000 0.293 391 I C -1.339 174.661 176.117 -0.196 0.000 1.200 391 I CA -1.719 59.381 61.300 -0.333 0.000 1.036 391 I CB 2.045 39.665 38.000 -0.634 0.000 1.258 391 I HN 0.001 nan 8.210 nan 0.000 0.421 392 H N 2.770 121.725 119.070 -0.191 0.000 2.917 392 H HA 0.797 5.369 4.556 0.025 0.000 0.279 392 H C -1.587 173.723 175.328 -0.030 0.000 1.211 392 H CA -0.046 55.944 56.048 -0.097 0.000 1.534 392 H CB 1.148 30.871 29.762 -0.065 0.000 1.581 392 H HN 0.708 nan 8.280 nan 0.000 0.510 393 S N 4.943 120.514 115.700 -0.214 0.000 2.547 393 S HA 0.172 4.657 4.470 0.026 0.000 0.281 393 S C 1.694 176.230 174.600 -0.107 0.000 1.118 393 S CA -0.822 57.322 58.200 -0.095 0.000 0.947 393 S CB 0.829 64.074 63.200 0.075 0.000 1.053 393 S HN 0.722 nan 8.310 nan 0.000 0.482 394 I N 0.733 121.244 120.570 -0.097 0.000 2.358 394 I HA -0.285 3.901 4.170 0.026 0.000 0.257 394 I C 1.887 178.014 176.117 0.016 0.000 1.123 394 I CA 1.999 63.285 61.300 -0.023 0.000 1.393 394 I CB -1.080 36.949 38.000 0.050 0.000 1.073 394 I HN 0.608 nan 8.210 nan 0.000 0.437 395 A N 2.311 125.100 122.820 -0.052 0.000 1.851 395 A HA -0.127 4.208 4.320 0.026 0.000 0.216 395 A C 1.703 179.198 177.584 -0.149 0.000 1.195 395 A CA 1.596 53.528 52.037 -0.176 0.000 0.622 395 A CB -1.336 17.320 19.000 -0.572 0.000 0.831 395 A HN 0.511 nan 8.150 nan 0.000 0.444 396 F N 1.468 121.250 119.950 -0.281 0.000 2.697 396 F HA 0.080 4.622 4.527 0.026 0.000 0.297 396 F C 1.958 177.792 175.800 0.056 0.000 1.203 396 F CA 0.496 58.341 58.000 -0.259 0.000 1.421 396 F CB -0.413 38.248 39.000 -0.564 0.000 1.033 396 F HN 0.244 nan 8.300 nan 0.000 0.512 397 S N -0.703 115.118 115.700 0.201 0.000 2.653 397 S HA 0.164 4.650 4.470 0.026 0.000 0.233 397 S C 1.956 176.704 174.600 0.246 0.000 0.970 397 S CA 0.452 58.759 58.200 0.180 0.000 0.947 397 S CB -0.586 62.698 63.200 0.140 0.000 0.771 397 S HN 0.682 nan 8.310 nan 0.000 0.538 398 G N 1.032 110.055 108.800 0.372 0.000 2.179 398 G HA2 -0.306 3.670 3.960 0.026 0.000 0.260 398 G HA3 -0.306 3.670 3.960 0.026 0.000 0.260 398 G C 0.494 175.524 174.900 0.217 0.000 0.977 398 G CA 0.331 45.644 45.100 0.354 0.000 0.641 398 G HN 0.606 nan 8.290 nan 0.000 0.533 399 I N 0.784 121.463 120.570 0.182 0.000 2.584 399 I HA 0.288 4.474 4.170 0.026 0.000 0.255 399 I C 2.304 178.375 176.117 -0.075 0.000 1.145 399 I CA 1.568 62.915 61.300 0.077 0.000 1.462 399 I CB -0.003 38.084 38.000 0.144 0.000 1.102 399 I HN 0.184 nan 8.210 nan 0.000 0.433 400 G N -0.069 108.668 108.800 -0.106 0.000 3.042 400 G HA2 0.008 3.984 3.960 0.026 0.000 0.212 400 G HA3 0.008 3.984 3.960 0.026 0.000 0.212 400 G C 1.107 175.500 174.900 -0.845 0.000 1.166 400 G CA -0.036 44.807 45.100 -0.429 0.000 0.767 400 G HN 0.315 nan 8.290 nan 0.000 0.546 401 L N -0.481 120.327 121.223 -0.691 0.000 2.467 401 L HA 0.468 4.823 4.340 0.026 0.000 0.213 401 L C 2.367 179.073 176.870 -0.273 0.000 1.053 401 L CA 0.516 54.922 54.840 -0.725 0.000 0.847 401 L CB -0.190 41.436 42.059 -0.722 0.000 1.075 401 L HN 0.089 nan 8.230 nan 0.000 0.479 402 L N -0.176 120.953 121.223 -0.157 0.000 2.171 402 L HA -0.302 4.053 4.340 0.026 0.000 0.216 402 L C 1.814 178.659 176.870 -0.042 0.000 1.084 402 L CA 1.315 56.117 54.840 -0.065 0.000 0.771 402 L CB -0.220 41.822 42.059 -0.028 0.000 0.890 402 L HN 0.337 nan 8.230 nan 0.000 0.437 403 I N -3.218 117.319 120.570 -0.055 0.000 3.790 403 I HA -0.044 4.141 4.170 0.026 0.000 0.305 403 I C 2.370 178.554 176.117 0.113 0.000 1.253 403 I CA 0.404 61.704 61.300 -0.000 0.000 1.355 403 I CB -0.860 37.155 38.000 0.025 0.000 1.137 403 I HN -0.064 nan 8.210 nan 0.000 0.435 404 V N 1.920 121.931 119.914 0.163 0.000 2.250 404 V HA -0.323 3.812 4.120 0.026 0.000 0.253 404 V C 2.729 178.951 176.094 0.214 0.000 1.065 404 V CA 2.238 64.731 62.300 0.321 0.000 1.039 404 V CB -0.632 31.167 31.823 -0.039 0.000 0.647 404 V HN 0.186 nan 8.190 nan 0.000 0.446 405 V N 0.460 120.483 119.914 0.181 0.000 2.214 405 V HA -0.213 3.923 4.120 0.026 0.000 0.244 405 V C 2.650 178.720 176.094 -0.040 0.000 1.045 405 V CA 2.410 64.813 62.300 0.172 0.000 0.993 405 V CB -1.773 30.154 31.823 0.172 0.000 0.633 405 V HN 0.599 nan 8.190 nan 0.000 0.449 406 G N -0.286 108.480 108.800 -0.057 0.000 2.599 406 G HA2 -0.291 3.685 3.960 0.026 0.000 0.219 406 G HA3 -0.291 3.685 3.960 0.026 0.000 0.219 406 G C 1.708 176.477 174.900 -0.219 0.000 1.193 406 G CA 1.619 46.655 45.100 -0.107 0.000 0.778 406 G HN 0.320 nan 8.290 nan 0.000 0.589 407 V N 1.604 121.282 119.914 -0.392 0.000 2.255 407 V HA -0.166 3.969 4.120 0.026 0.000 0.247 407 V C 3.392 179.182 176.094 -0.506 0.000 1.051 407 V CA 2.391 64.343 62.300 -0.580 0.000 1.018 407 V CB -1.063 30.041 31.823 -1.199 0.000 0.641 407 V HN 0.563 nan 8.190 nan 0.000 0.445 408 A N -0.244 122.250 122.820 -0.543 0.000 1.884 408 A HA -0.302 4.034 4.320 0.026 0.000 0.219 408 A C 2.189 179.595 177.584 -0.298 0.000 1.197 408 A CA 2.649 54.451 52.037 -0.392 0.000 0.637 408 A CB -0.764 18.023 19.000 -0.355 0.000 0.827 408 A HN 0.548 nan 8.150 nan 0.000 0.450 409 L N -0.322 120.755 121.223 -0.242 0.000 1.943 409 L HA -0.193 4.162 4.340 0.026 0.000 0.215 409 L C 2.086 178.867 176.870 -0.148 0.000 1.074 409 L CA 2.826 57.562 54.840 -0.173 0.000 0.759 409 L CB -0.681 41.306 42.059 -0.120 0.000 0.888 409 L HN 0.421 nan 8.230 nan 0.000 0.433 410 D N -1.194 119.122 120.400 -0.139 0.000 2.221 410 D HA -0.166 4.489 4.640 0.026 0.000 0.204 410 D C 1.840 178.075 176.300 -0.108 0.000 0.982 410 D CA 1.588 55.524 54.000 -0.106 0.000 0.857 410 D CB 0.155 40.899 40.800 -0.093 0.000 0.934 410 D HN 0.568 nan 8.370 nan 0.000 0.475 411 T N 0.651 115.118 114.554 -0.145 0.000 2.668 411 T HA -0.095 4.270 4.350 0.026 0.000 0.262 411 T C 1.936 176.579 174.700 -0.096 0.000 1.045 411 T CA 0.665 62.690 62.100 -0.124 0.000 1.152 411 T CB -0.309 68.462 68.868 -0.162 0.000 0.864 411 T HN 0.159 nan 8.240 nan 0.000 0.419 412 L N 0.704 121.852 121.223 -0.125 0.000 2.693 412 L HA 0.256 4.611 4.340 0.026 0.000 0.242 412 L C 2.271 179.094 176.870 -0.079 0.000 1.157 412 L CA 0.475 55.257 54.840 -0.097 0.000 0.929 412 L CB -0.371 41.597 42.059 -0.151 0.000 1.103 412 L HN 0.086 nan 8.230 nan 0.000 0.430 413 R N -0.957 119.498 120.500 -0.075 0.000 2.453 413 R HA 0.064 4.420 4.340 0.026 0.000 0.233 413 R C 1.743 178.016 176.300 -0.044 0.000 0.895 413 R CA 0.166 56.231 56.100 -0.059 0.000 1.028 413 R CB 0.574 30.836 30.300 -0.063 0.000 1.255 413 R HN 0.198 nan 8.270 nan 0.000 0.571 414 Q N -0.823 118.951 119.800 -0.044 0.000 2.322 414 Q HA 0.159 4.514 4.340 0.026 0.000 0.250 414 Q C 1.394 177.378 176.000 -0.027 0.000 0.853 414 Q CA 0.264 56.047 55.803 -0.033 0.000 0.951 414 Q CB 0.905 29.623 28.738 -0.034 0.000 1.114 414 Q HN 0.036 nan 8.270 nan 0.000 0.523 415 V N 0.875 120.775 119.914 -0.024 0.000 2.295 415 V HA -0.243 3.893 4.120 0.026 0.000 0.246 415 V C 2.040 178.129 176.094 -0.009 0.000 1.049 415 V CA 2.258 64.553 62.300 -0.009 0.000 1.024 415 V CB -0.346 31.486 31.823 0.015 0.000 0.648 415 V HN 0.454 nan 8.190 nan 0.000 0.447 416 E N -0.317 119.875 120.200 -0.014 0.000 2.085 416 E HA -0.241 4.125 4.350 0.026 0.000 0.194 416 E C 2.376 178.964 176.600 -0.020 0.000 0.994 416 E CA 1.510 57.899 56.400 -0.018 0.000 0.801 416 E CB -0.183 29.502 29.700 -0.025 0.000 0.743 416 E HN 0.493 nan 8.360 nan 0.000 0.453 417 S N -0.489 115.197 115.700 -0.022 0.000 2.481 417 S HA -0.094 4.391 4.470 0.026 0.000 0.231 417 S C 1.739 176.326 174.600 -0.020 0.000 0.996 417 S CA 0.723 58.910 58.200 -0.022 0.000 0.942 417 S CB 0.013 63.200 63.200 -0.021 0.000 0.768 417 S HN 0.280 nan 8.310 nan 0.000 0.520 418 Q N -0.296 119.493 119.800 -0.020 0.000 2.212 418 Q HA 0.053 4.409 4.340 0.026 0.000 0.199 418 Q C 1.968 177.956 176.000 -0.020 0.000 0.950 418 Q CA 0.799 56.590 55.803 -0.020 0.000 0.863 418 Q CB -0.107 28.619 28.738 -0.020 0.000 0.944 418 Q HN 0.435 nan 8.270 nan 0.000 0.465 419 L N 0.056 121.268 121.223 -0.018 0.000 2.179 419 L HA 0.015 4.370 4.340 0.026 0.000 0.208 419 L C 1.481 178.339 176.870 -0.019 0.000 1.096 419 L CA 1.353 56.182 54.840 -0.017 0.000 0.779 419 L CB -0.006 42.045 42.059 -0.014 0.000 0.922 419 L HN 0.146 nan 8.230 nan 0.000 0.443 420 M N -0.658 118.929 119.600 -0.021 0.000 2.915 420 M HA 0.018 4.513 4.480 0.026 0.000 0.206 420 M C 0.406 176.692 176.300 -0.023 0.000 1.271 420 M CA 0.337 55.623 55.300 -0.023 0.000 1.122 420 M CB 0.017 32.603 32.600 -0.024 0.000 1.655 420 M HN 0.249 nan 8.290 nan 0.000 0.434 421 L N -1.234 119.976 121.223 -0.022 0.000 3.467 421 L HA 0.303 4.658 4.340 0.026 0.000 0.315 421 L C 0.412 177.269 176.870 -0.021 0.000 1.184 421 L CA 0.329 55.156 54.840 -0.022 0.000 1.124 421 L CB 0.248 42.295 42.059 -0.021 0.000 1.585 421 L HN 0.054 nan 8.230 nan 0.000 0.617 422 R N 0.000 120.488 120.500 -0.020 0.000 2.786 422 R HA 0.000 4.355 4.340 0.026 0.000 0.208 422 R CA 0.000 56.088 56.100 -0.019 0.000 0.921 422 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 422 R HN 0.000 nan 8.270 nan 0.000 0.535