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 2vb7_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 1.924 122.331 120.400 0.011 0.000 2.382 2 K HA 0.382 4.702 4.320 -0.000 0.000 0.275 2 K C -0.634 175.970 176.600 0.006 0.000 1.009 2 K CA 0.075 56.367 56.287 0.007 0.000 0.970 2 K CB 0.478 32.979 32.500 0.003 0.000 0.934 2 K HN 0.599 nan 8.250 nan 0.000 0.479 3 R N 0.411 120.913 120.500 0.003 0.000 2.540 3 R HA 0.522 4.862 4.340 -0.000 0.000 0.287 3 R C -0.489 175.805 176.300 -0.009 0.000 0.980 3 R CA -0.643 55.458 56.100 0.001 0.000 0.966 3 R CB 1.686 31.987 30.300 0.001 0.000 1.106 3 R HN 0.647 nan 8.270 nan 0.000 0.480 4 A N 2.242 125.054 122.820 -0.013 0.000 2.331 4 A HA 0.642 4.962 4.320 -0.000 0.000 0.320 4 A C -0.449 177.119 177.584 -0.027 0.000 1.138 4 A CA -0.668 51.351 52.037 -0.030 0.000 0.790 4 A CB 1.130 20.106 19.000 -0.040 0.000 1.206 4 A HN 0.527 nan 8.150 nan 0.000 0.470 5 V N -0.081 119.813 119.914 -0.034 0.000 3.074 5 V HA 0.739 4.859 4.120 -0.000 0.000 0.314 5 V C -0.724 175.355 176.094 -0.026 0.000 1.117 5 V CA -1.069 61.217 62.300 -0.023 0.000 1.014 5 V CB 1.820 33.631 31.823 -0.020 0.000 1.057 5 V HN 0.625 nan 8.190 nan 0.000 0.438 6 I N 2.729 123.303 120.570 0.007 0.000 2.339 6 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 6 I C 1.034 177.238 176.117 0.144 0.000 0.994 6 I CA 0.177 61.494 61.300 0.029 0.000 1.191 6 I CB 1.331 39.329 38.000 -0.003 0.000 1.343 6 I HN 1.054 nan 8.210 nan 0.000 0.458 7 T N 1.104 115.727 114.554 0.115 0.000 3.040 7 T HA 0.481 4.831 4.350 -0.000 0.000 0.266 7 T C 0.526 175.377 174.700 0.251 0.000 1.005 7 T CA -0.268 61.926 62.100 0.157 0.000 0.906 7 T CB 0.579 69.475 68.868 0.047 0.000 1.082 7 T HN 0.743 nan 8.240 nan 0.000 0.531 8 G N 1.329 110.272 108.800 0.238 0.000 2.632 8 G HA2 0.564 4.523 3.960 -0.000 0.000 0.292 8 G HA3 0.564 4.523 3.960 -0.000 0.000 0.292 8 G C -2.075 172.851 174.900 0.044 0.000 1.465 8 G CA -0.895 44.342 45.100 0.229 0.000 0.824 8 G HN 0.660 nan 8.290 nan 0.000 0.509 9 L N -1.367 119.857 121.223 0.002 0.000 2.469 9 L HA 1.072 5.412 4.340 -0.000 0.000 0.256 9 L C -0.037 176.800 176.870 -0.055 0.000 1.006 9 L CA -0.840 53.939 54.840 -0.102 0.000 0.832 9 L CB 1.855 43.757 42.059 -0.262 0.000 1.421 9 L HN 1.347 nan 8.230 nan 0.000 0.410 10 G N 0.486 109.243 108.800 -0.072 0.000 2.733 10 G HA2 0.752 4.712 3.960 -0.000 0.000 0.297 10 G HA3 0.752 4.712 3.960 -0.000 0.000 0.297 10 G C -2.141 172.725 174.900 -0.057 0.000 1.422 10 G CA -0.594 44.475 45.100 -0.053 0.000 0.942 10 G HN 1.025 nan 8.290 nan 0.000 0.510 11 I N 0.646 121.195 120.570 -0.034 0.000 2.753 11 I HA 0.562 4.731 4.170 -0.000 0.000 0.291 11 I C -1.560 174.544 176.117 -0.022 0.000 1.425 11 I CA -0.843 60.435 61.300 -0.037 0.000 1.039 11 I CB 2.246 40.224 38.000 -0.036 0.000 1.349 11 I HN 0.380 nan 8.210 nan 0.000 0.430 12 V N 6.424 126.310 119.914 -0.046 0.000 2.447 12 V HA 0.668 4.787 4.120 -0.000 0.000 0.292 12 V C -0.352 175.645 176.094 -0.161 0.000 1.021 12 V CA -0.233 62.014 62.300 -0.088 0.000 0.850 12 V CB 1.475 33.250 31.823 -0.079 0.000 1.005 12 V HN 0.805 nan 8.190 nan 0.000 0.426 13 S N 2.243 117.873 115.700 -0.117 0.000 2.651 13 S HA 0.441 4.910 4.470 -0.000 0.000 0.279 13 S C 1.047 175.588 174.600 -0.098 0.000 1.148 13 S CA 0.087 58.234 58.200 -0.089 0.000 0.837 13 S CB 1.850 65.085 63.200 0.057 0.000 1.138 13 S HN 0.947 nan 8.310 nan 0.000 0.478 14 S N 0.649 116.299 115.700 -0.084 0.000 2.442 14 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 14 S C 1.441 176.012 174.600 -0.048 0.000 1.007 14 S CA 1.137 59.289 58.200 -0.079 0.000 0.965 14 S CB -1.153 62.013 63.200 -0.057 0.000 0.773 14 S HN 1.092 nan 8.310 nan 0.000 0.504 15 I N -2.432 118.116 120.570 -0.036 0.000 3.941 15 I HA 0.673 4.843 4.170 -0.000 0.000 0.335 15 I C 0.593 176.691 176.117 -0.033 0.000 1.402 15 I CA -0.320 60.951 61.300 -0.047 0.000 1.112 15 I CB 0.108 38.049 38.000 -0.098 0.000 1.043 15 I HN 0.314 nan 8.210 nan 0.000 0.395 16 G N 1.095 109.882 108.800 -0.023 0.000 2.368 16 G HA2 0.004 3.964 3.960 -0.000 0.000 0.303 16 G HA3 0.004 3.964 3.960 -0.000 0.000 0.303 16 G C -0.867 174.024 174.900 -0.014 0.000 1.590 16 G CA -0.671 44.420 45.100 -0.015 0.000 0.938 16 G HN 0.011 nan 8.290 nan 0.000 0.675 17 N N 0.227 118.920 118.700 -0.013 0.000 2.270 17 N HA 0.133 4.873 4.740 -0.000 0.000 0.198 17 N C 0.362 175.874 175.510 0.004 0.000 1.117 17 N CA 0.659 53.703 53.050 -0.010 0.000 0.845 17 N CB 0.273 38.758 38.487 -0.003 0.000 0.980 17 N HN 0.836 nan 8.380 nan 0.000 0.486 18 N N -1.694 117.011 118.700 0.008 0.000 3.227 18 N HA -0.037 4.703 4.740 -0.000 0.000 0.241 18 N C 0.325 175.848 175.510 0.022 0.000 1.480 18 N CA -0.644 52.415 53.050 0.015 0.000 0.886 18 N CB 0.445 38.941 38.487 0.016 0.000 1.406 18 N HN -0.139 nan 8.380 nan 0.000 0.514 19 Q N -1.183 118.635 119.800 0.029 0.000 2.224 19 Q HA -0.083 4.257 4.340 -0.000 0.000 0.203 19 Q C 0.726 176.741 176.000 0.025 0.000 0.970 19 Q CA 1.414 57.243 55.803 0.044 0.000 0.865 19 Q CB -0.264 28.512 28.738 0.064 0.000 0.922 19 Q HN 0.618 nan 8.270 nan 0.000 0.445 20 Q N 1.374 121.179 119.800 0.010 0.000 2.050 20 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 20 Q C 1.834 177.813 176.000 -0.035 0.000 0.980 20 Q CA 2.072 57.863 55.803 -0.021 0.000 0.840 20 Q CB -0.010 28.720 28.738 -0.014 0.000 0.898 20 Q HN 0.570 nan 8.270 nan 0.000 0.424 21 E N -0.381 119.807 120.200 -0.019 0.000 2.077 21 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 21 E C 2.031 178.614 176.600 -0.028 0.000 0.989 21 E CA 1.301 57.686 56.400 -0.025 0.000 0.800 21 E CB -0.062 29.628 29.700 -0.015 0.000 0.746 21 E HN 0.117 nan 8.360 nan 0.000 0.452 22 V N 1.645 121.558 119.914 -0.001 0.000 2.295 22 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 22 V C 2.348 178.437 176.094 -0.010 0.000 1.049 22 V CA 1.509 63.818 62.300 0.015 0.000 1.024 22 V CB -0.447 31.441 31.823 0.109 0.000 0.648 22 V HN 0.226 nan 8.190 nan 0.000 0.447 23 L N 1.015 122.228 121.223 -0.017 0.000 2.012 23 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 23 L C 2.468 179.247 176.870 -0.151 0.000 1.073 23 L CA 2.543 57.338 54.840 -0.074 0.000 0.748 23 L CB -1.090 40.856 42.059 -0.187 0.000 0.891 23 L HN 0.233 nan 8.230 nan 0.000 0.431 24 A N -1.478 121.261 122.820 -0.135 0.000 1.883 24 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 24 A C 2.401 179.915 177.584 -0.118 0.000 1.186 24 A CA 2.204 54.158 52.037 -0.138 0.000 0.624 24 A CB -1.083 17.858 19.000 -0.098 0.000 0.822 24 A HN 0.560 nan 8.150 nan 0.000 0.444 25 S N -0.217 115.429 115.700 -0.090 0.000 2.368 25 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 25 S C 1.845 176.392 174.600 -0.087 0.000 1.030 25 S CA 1.427 59.576 58.200 -0.085 0.000 0.999 25 S CB -0.477 62.672 63.200 -0.086 0.000 0.844 25 S HN 0.502 nan 8.310 nan 0.000 0.459 26 L N 0.923 122.100 121.223 -0.075 0.000 2.042 26 L HA -0.133 4.206 4.340 -0.000 0.000 0.210 26 L C 2.735 179.631 176.870 0.043 0.000 1.076 26 L CA 1.346 56.190 54.840 0.007 0.000 0.749 26 L CB -0.437 41.724 42.059 0.170 0.000 0.893 26 L HN 0.235 nan 8.230 nan 0.000 0.432 27 R N -0.087 120.325 120.500 -0.147 0.000 2.115 27 R HA -0.135 4.204 4.340 -0.000 0.000 0.230 27 R C 1.911 178.133 176.300 -0.129 0.000 1.111 27 R CA 1.162 57.098 56.100 -0.274 0.000 0.976 27 R CB -0.125 29.893 30.300 -0.469 0.000 0.870 27 R HN 0.471 nan 8.270 nan 0.000 0.445 28 E N -0.611 119.528 120.200 -0.103 0.000 2.442 28 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 28 E C 0.635 177.209 176.600 -0.044 0.000 1.030 28 E CA 0.297 56.655 56.400 -0.071 0.000 0.869 28 E CB 0.481 30.140 29.700 -0.068 0.000 0.857 28 E HN 0.464 nan 8.360 nan 0.000 0.505 29 G N 2.959 111.737 108.800 -0.037 0.000 2.273 29 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.280 29 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.280 29 G C 0.090 174.969 174.900 -0.035 0.000 1.047 29 G CA 0.609 45.692 45.100 -0.028 0.000 0.869 29 G HN 0.257 nan 8.290 nan 0.000 0.502 30 R N 0.172 120.645 120.500 -0.046 0.000 2.298 30 R HA 0.509 4.849 4.340 -0.000 0.000 0.310 30 R C 0.751 177.028 176.300 -0.039 0.000 1.068 30 R CA 0.227 56.304 56.100 -0.038 0.000 0.957 30 R CB 0.605 30.881 30.300 -0.040 0.000 1.003 30 R HN 0.264 nan 8.270 nan 0.000 0.454 31 S N 2.219 117.905 115.700 -0.022 0.000 2.564 31 S HA 0.200 4.670 4.470 -0.000 0.000 0.278 31 S C 0.911 175.508 174.600 -0.005 0.000 1.333 31 S CA -0.095 58.097 58.200 -0.013 0.000 1.048 31 S CB 1.053 64.255 63.200 0.004 0.000 0.900 31 S HN 0.805 nan 8.310 nan 0.000 0.505 32 G N 3.909 112.707 108.800 -0.004 0.000 3.337 32 G HA2 0.256 4.216 3.960 -0.000 0.000 0.246 32 G HA3 0.256 4.216 3.960 -0.000 0.000 0.246 32 G C 0.001 174.928 174.900 0.046 0.000 1.131 32 G CA -0.244 44.860 45.100 0.006 0.000 0.773 32 G HN 0.589 nan 8.290 nan 0.000 0.544 33 I N 2.422 123.034 120.570 0.071 0.000 2.353 33 I HA 0.418 4.588 4.170 -0.000 0.000 0.293 33 I C 0.463 176.680 176.117 0.166 0.000 0.992 33 I CA -0.609 60.769 61.300 0.129 0.000 1.268 33 I CB 0.725 38.792 38.000 0.112 0.000 1.387 33 I HN 0.060 nan 8.210 nan 0.000 0.478 34 T N 2.544 117.255 114.554 0.261 0.000 2.901 34 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 34 T C -0.459 174.403 174.700 0.270 0.000 1.084 34 T CA -0.731 61.534 62.100 0.274 0.000 1.008 34 T CB 1.787 70.835 68.868 0.301 0.000 1.170 34 T HN 0.206 nan 8.240 nan 0.000 0.509 35 F N 1.813 121.816 119.950 0.088 0.000 2.529 35 F HA 0.503 5.030 4.527 -0.000 0.000 0.365 35 F C 0.525 176.248 175.800 -0.128 0.000 1.102 35 F CA 0.000 57.997 58.000 -0.006 0.000 1.271 35 F CB 0.748 39.752 39.000 0.007 0.000 1.120 35 F HN 0.680 nan 8.300 nan 0.000 0.579 36 S N 4.953 119.853 115.700 -1.335 0.000 2.594 36 S HA 0.193 4.662 4.470 -0.000 0.000 0.322 36 S C 0.560 174.285 174.600 -1.458 0.000 1.085 36 S CA -0.682 56.641 58.200 -1.461 0.000 1.116 36 S CB 1.254 63.132 63.200 -2.203 0.000 0.979 36 S HN 0.887 nan 8.310 nan 0.000 0.465 37 Q N 3.365 122.642 119.800 -0.871 0.000 2.124 37 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 37 Q C 1.780 177.537 176.000 -0.406 0.000 0.977 37 Q CA 2.277 57.813 55.803 -0.445 0.000 0.850 37 Q CB -0.155 28.551 28.738 -0.054 0.000 0.901 37 Q HN 0.914 nan 8.270 nan 0.000 0.429 38 E N -0.511 119.448 120.200 -0.401 0.000 2.058 38 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 38 E C 1.789 178.205 176.600 -0.308 0.000 0.997 38 E CA 1.400 57.649 56.400 -0.251 0.000 0.801 38 E CB -0.191 29.468 29.700 -0.068 0.000 0.746 38 E HN 0.456 nan 8.360 nan 0.000 0.450 39 L N 0.522 121.447 121.223 -0.495 0.000 2.056 39 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 39 L C 2.866 179.551 176.870 -0.308 0.000 1.078 39 L CA 1.365 56.020 54.840 -0.307 0.000 0.749 39 L CB -0.505 41.348 42.059 -0.344 0.000 0.901 39 L HN 0.160 nan 8.230 nan 0.000 0.433 40 K N 0.340 120.428 120.400 -0.521 0.000 2.026 40 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 40 K C 1.660 178.039 176.600 -0.369 0.000 1.048 40 K CA 1.873 57.767 56.287 -0.655 0.000 0.929 40 K CB 0.003 32.053 32.500 -0.751 0.000 0.713 40 K HN 0.193 nan 8.250 nan 0.000 0.439 41 D N 0.172 120.388 120.400 -0.307 0.000 2.182 41 D HA -0.136 4.503 4.640 -0.000 0.000 0.201 41 D C 1.885 178.007 176.300 -0.297 0.000 0.986 41 D CA 1.505 55.356 54.000 -0.249 0.000 0.847 41 D CB -0.186 40.484 40.800 -0.215 0.000 0.942 41 D HN 0.349 nan 8.370 nan 0.000 0.467 42 S N -0.894 114.593 115.700 -0.356 0.000 2.515 42 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 42 S C 1.777 176.214 174.600 -0.272 0.000 0.987 42 S CA 1.101 59.021 58.200 -0.467 0.000 0.936 42 S CB 0.096 63.001 63.200 -0.493 0.000 0.766 42 S HN 0.340 nan 8.310 nan 0.000 0.528 43 G N 0.493 109.190 108.800 -0.171 0.000 2.159 43 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.227 43 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.227 43 G C 0.043 174.944 174.900 0.000 0.000 0.986 43 G CA 0.107 45.158 45.100 -0.081 0.000 0.651 43 G HN 0.499 nan 8.290 nan 0.000 0.523 44 M N -0.342 119.272 119.600 0.024 0.000 2.232 44 M HA 0.340 4.820 4.480 -0.000 0.000 0.321 44 M C 1.888 178.297 176.300 0.182 0.000 1.101 44 M CA 0.233 55.592 55.300 0.098 0.000 1.181 44 M CB 0.420 33.086 32.600 0.110 0.000 1.432 44 M HN 0.185 nan 8.290 nan 0.000 0.457 45 R N -0.265 120.291 120.500 0.094 0.000 2.173 45 R HA 0.087 4.427 4.340 -0.000 0.000 0.208 45 R C 0.494 176.677 176.300 -0.195 0.000 1.035 45 R CA 0.242 56.335 56.100 -0.012 0.000 1.004 45 R CB 0.186 30.468 30.300 -0.030 0.000 0.917 45 R HN 0.552 nan 8.270 nan 0.000 0.462 46 S N 0.500 116.172 115.700 -0.046 0.000 2.452 46 S HA 0.132 4.602 4.470 -0.000 0.000 0.284 46 S C -0.114 174.521 174.600 0.058 0.000 1.171 46 S CA -0.594 57.565 58.200 -0.069 0.000 1.064 46 S CB 0.323 63.508 63.200 -0.025 0.000 0.967 46 S HN 0.341 nan 8.310 nan 0.000 0.484 47 H N 2.959 121.983 119.070 -0.077 0.000 2.475 47 H HA 0.347 4.903 4.556 -0.000 0.000 0.276 47 H C -0.066 175.073 175.328 -0.315 0.000 1.126 47 H CA -0.625 55.286 56.048 -0.229 0.000 1.023 47 H CB 0.470 30.178 29.762 -0.091 0.000 1.669 47 H HN 0.446 nan 8.280 nan 0.000 0.573 48 V N -1.727 118.148 119.914 -0.065 0.000 2.876 48 V HA 0.624 4.744 4.120 -0.000 0.000 0.312 48 V C -1.357 174.807 176.094 0.116 0.000 1.085 48 V CA -0.956 61.342 62.300 -0.003 0.000 0.945 48 V CB 2.143 34.034 31.823 0.112 0.000 1.017 48 V HN 0.391 nan 8.190 nan 0.000 0.428 49 W N 1.362 122.678 121.300 0.026 0.000 3.074 49 W HA 0.840 5.500 4.660 -0.000 0.000 0.332 49 W C -0.293 176.244 176.519 0.031 0.000 1.253 49 W CA -1.791 55.571 57.345 0.028 0.000 1.180 49 W CB 0.927 30.398 29.460 0.019 0.000 1.445 49 W HN 1.034 nan 8.180 nan 0.000 0.573 50 G N 3.473 112.385 108.800 0.186 0.000 2.922 50 G HA2 0.316 4.276 3.960 -0.000 0.000 0.335 50 G HA3 0.316 4.276 3.960 -0.000 0.000 0.335 50 G C -0.364 174.422 174.900 -0.190 0.000 1.016 50 G CA -0.652 44.460 45.100 0.020 0.000 1.306 50 G HN 0.575 nan 8.290 nan 0.000 0.465 51 N N 1.013 119.520 118.700 -0.322 0.000 2.515 51 N HA 0.205 4.945 4.740 -0.000 0.000 0.279 51 N C -0.293 175.039 175.510 -0.297 0.000 1.164 51 N CA -0.574 52.156 53.050 -0.534 0.000 0.982 51 N CB 1.962 39.997 38.487 -0.753 0.000 1.170 51 N HN -0.032 nan 8.380 nan 0.000 0.474 52 V N 1.474 121.197 119.914 -0.318 0.000 2.455 52 V HA 0.084 4.204 4.120 -0.000 0.000 0.273 52 V C 0.518 176.533 176.094 -0.133 0.000 1.045 52 V CA -0.308 61.840 62.300 -0.255 0.000 0.976 52 V CB 0.027 31.599 31.823 -0.418 0.000 0.993 52 V HN 0.608 nan 8.190 nan 0.000 0.475 53 K N 5.689 126.039 120.400 -0.083 0.000 2.319 53 K HA 0.586 4.906 4.320 -0.000 0.000 0.237 53 K C -0.963 175.631 176.600 -0.010 0.000 1.113 53 K CA -0.194 56.076 56.287 -0.029 0.000 1.072 53 K CB 0.536 33.029 32.500 -0.012 0.000 1.734 53 K HN 0.433 nan 8.250 nan 0.000 0.429 54 L N 0.831 122.059 121.223 0.007 0.000 2.565 54 L HA 0.306 4.646 4.340 -0.000 0.000 0.261 54 L C -1.813 175.085 176.870 0.047 0.000 0.932 54 L CA -0.525 54.332 54.840 0.028 0.000 0.878 54 L CB 1.942 44.021 42.059 0.034 0.000 1.333 54 L HN 0.215 nan 8.230 nan 0.000 0.409 55 D N 2.180 122.603 120.400 0.040 0.000 2.339 55 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 55 D C 0.920 177.244 176.300 0.039 0.000 1.183 55 D CA 0.436 54.459 54.000 0.038 0.000 0.859 55 D CB 1.409 42.225 40.800 0.027 0.000 1.067 55 D HN 0.714 nan 8.370 nan 0.000 0.484 56 T N -0.203 114.377 114.554 0.044 0.000 3.129 56 T HA 0.031 4.380 4.350 -0.000 0.000 0.251 56 T C 0.842 175.542 174.700 0.000 0.000 1.117 56 T CA -0.227 61.895 62.100 0.037 0.000 1.034 56 T CB -0.291 68.604 68.868 0.046 0.000 0.968 56 T HN 0.221 nan 8.240 nan 0.000 0.526 57 T N 2.543 117.094 114.554 -0.004 0.000 2.871 57 T HA 0.414 4.763 4.350 -0.000 0.000 0.296 57 T C 1.511 176.197 174.700 -0.023 0.000 0.998 57 T CA 0.826 62.913 62.100 -0.022 0.000 1.162 57 T CB 0.081 68.939 68.868 -0.015 0.000 0.947 57 T HN 0.732 nan 8.240 nan 0.000 0.536 58 G N 2.750 111.524 108.800 -0.043 0.000 2.184 58 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 58 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 58 G C 0.804 175.686 174.900 -0.030 0.000 0.975 58 G CA 0.233 45.309 45.100 -0.041 0.000 0.642 58 G HN 0.693 nan 8.290 nan 0.000 0.536 59 L N -0.327 120.883 121.223 -0.022 0.000 2.492 59 L HA 0.389 4.729 4.340 -0.000 0.000 0.223 59 L C 1.099 177.969 176.870 -0.001 0.000 1.132 59 L CA 0.633 55.480 54.840 0.012 0.000 0.850 59 L CB -0.007 42.080 42.059 0.046 0.000 0.966 59 L HN 0.291 nan 8.230 nan 0.000 0.454 60 I N -1.217 119.296 120.570 -0.095 0.000 2.582 60 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 60 I C -0.713 175.282 176.117 -0.203 0.000 1.066 60 I CA -1.033 60.136 61.300 -0.219 0.000 1.053 60 I CB 2.112 39.831 38.000 -0.467 0.000 1.241 60 I HN -0.183 nan 8.210 nan 0.000 0.421 61 D N 3.758 124.047 120.400 -0.185 0.000 2.525 61 D HA -0.051 4.588 4.640 -0.000 0.000 0.235 61 D C 1.136 177.328 176.300 -0.179 0.000 1.137 61 D CA 0.183 54.097 54.000 -0.142 0.000 0.868 61 D CB 0.858 41.593 40.800 -0.108 0.000 1.180 61 D HN 0.404 nan 8.370 nan 0.000 0.465 62 R N 3.216 123.624 120.500 -0.152 0.000 2.105 62 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 62 R C 2.023 178.189 176.300 -0.223 0.000 1.135 62 R CA 2.483 58.469 56.100 -0.188 0.000 0.967 62 R CB -0.734 29.474 30.300 -0.154 0.000 0.861 62 R HN 0.436 nan 8.270 nan 0.000 0.442 63 K N -0.353 119.955 120.400 -0.153 0.000 2.283 63 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 63 K C 2.087 178.648 176.600 -0.065 0.000 1.048 63 K CA 1.573 57.793 56.287 -0.112 0.000 0.948 63 K CB -0.530 31.954 32.500 -0.028 0.000 0.742 63 K HN 0.162 nan 8.250 nan 0.000 0.458 64 V N -0.800 119.042 119.914 -0.120 0.000 2.492 64 V HA -0.052 4.068 4.120 -0.000 0.000 0.241 64 V C 2.220 178.202 176.094 -0.187 0.000 1.041 64 V CA 1.050 63.286 62.300 -0.106 0.000 1.057 64 V CB 0.619 32.284 31.823 -0.264 0.000 0.711 64 V HN 0.338 nan 8.190 nan 0.000 0.468 65 V N 2.347 122.075 119.914 -0.310 0.000 2.759 65 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 65 V C 2.759 178.618 176.094 -0.392 0.000 1.080 65 V CA 2.040 64.138 62.300 -0.337 0.000 1.101 65 V CB -0.657 30.976 31.823 -0.316 0.000 0.698 65 V HN 0.705 nan 8.190 nan 0.000 0.477 66 R N -1.053 119.117 120.500 -0.549 0.000 2.193 66 R HA -0.130 4.210 4.340 -0.000 0.000 0.229 66 R C 1.719 177.415 176.300 -1.007 0.000 1.110 66 R CA 1.971 57.522 56.100 -0.916 0.000 0.988 66 R CB -0.659 28.902 30.300 -1.231 0.000 0.871 66 R HN 0.493 nan 8.270 nan 0.000 0.458 67 F N 0.812 120.529 119.950 -0.390 0.000 2.776 67 F HA 0.351 4.878 4.527 -0.000 0.000 0.300 67 F C 0.889 176.541 175.800 -0.246 0.000 1.116 67 F CA -0.039 57.825 58.000 -0.228 0.000 1.375 67 F CB 0.132 39.066 39.000 -0.111 0.000 1.109 67 F HN -0.116 nan 8.300 nan 0.000 0.585 68 M N 0.055 119.549 119.600 -0.176 0.000 2.363 68 M HA 0.304 4.783 4.480 -0.000 0.000 0.343 68 M C 0.520 176.637 176.300 -0.306 0.000 1.165 68 M CA -0.603 54.584 55.300 -0.188 0.000 1.046 68 M CB 1.634 34.124 32.600 -0.183 0.000 1.648 68 M HN 0.018 nan 8.290 nan 0.000 0.452 69 S N 0.334 115.895 115.700 -0.232 0.000 2.713 69 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 69 S C 0.394 174.916 174.600 -0.130 0.000 1.168 69 S CA -0.727 57.390 58.200 -0.138 0.000 0.994 69 S CB 0.892 64.101 63.200 0.015 0.000 1.054 69 S HN 0.663 nan 8.310 nan 0.000 0.555 70 D N 0.908 121.235 120.400 -0.120 0.000 2.144 70 D HA -0.002 4.638 4.640 -0.000 0.000 0.199 70 D C 2.186 178.169 176.300 -0.528 0.000 0.984 70 D CA 1.640 55.384 54.000 -0.426 0.000 0.834 70 D CB -0.888 39.658 40.800 -0.423 0.000 0.955 70 D HN 0.662 nan 8.370 nan 0.000 0.465 71 A N 0.528 123.239 122.820 -0.182 0.000 1.908 71 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 71 A C 2.447 180.028 177.584 -0.004 0.000 1.181 71 A CA 1.948 53.972 52.037 -0.020 0.000 0.627 71 A CB -0.580 18.448 19.000 0.047 0.000 0.818 71 A HN 0.173 nan 8.150 nan 0.000 0.445 72 S N -0.312 115.368 115.700 -0.032 0.000 2.383 72 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 72 S C 1.794 176.416 174.600 0.036 0.000 1.026 72 S CA 1.324 59.536 58.200 0.020 0.000 0.981 72 S CB -0.473 62.727 63.200 -0.000 0.000 0.818 72 S HN 0.542 nan 8.310 nan 0.000 0.472 73 I N 0.403 120.913 120.570 -0.100 0.000 2.163 73 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 73 I C 2.070 178.245 176.117 0.096 0.000 1.085 73 I CA 1.392 62.642 61.300 -0.082 0.000 1.347 73 I CB -0.437 37.416 38.000 -0.245 0.000 1.044 73 I HN 0.264 nan 8.210 nan 0.000 0.408 74 Y N 0.748 121.090 120.300 0.070 0.000 2.200 74 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 74 Y C 2.650 178.593 175.900 0.072 0.000 1.137 74 Y CA 0.707 58.841 58.100 0.057 0.000 1.163 74 Y CB -1.331 37.141 38.460 0.020 0.000 0.988 74 Y HN 0.115 nan 8.280 nan 0.000 0.518 75 A N -0.398 122.562 122.820 0.234 0.000 1.898 75 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 75 A C 2.186 179.864 177.584 0.157 0.000 1.181 75 A CA 1.382 53.508 52.037 0.148 0.000 0.620 75 A CB -1.329 17.740 19.000 0.115 0.000 0.819 75 A HN 0.438 nan 8.150 nan 0.000 0.442 76 F N 0.630 120.633 119.950 0.088 0.000 2.102 76 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 76 F C 1.887 177.771 175.800 0.141 0.000 1.105 76 F CA 1.727 59.817 58.000 0.150 0.000 1.239 76 F CB -0.229 38.836 39.000 0.108 0.000 0.991 76 F HN 0.138 nan 8.300 nan 0.000 0.474 77 L N -0.689 120.747 121.223 0.355 0.000 2.046 77 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 77 L C 2.536 179.436 176.870 0.050 0.000 1.077 77 L CA 1.417 56.388 54.840 0.217 0.000 0.747 77 L CB -0.976 41.222 42.059 0.231 0.000 0.896 77 L HN 0.076 nan 8.230 nan 0.000 0.432 78 S N -0.345 115.377 115.700 0.038 0.000 2.368 78 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 78 S C 1.931 176.454 174.600 -0.128 0.000 1.030 78 S CA 1.675 59.857 58.200 -0.030 0.000 0.999 78 S CB -0.242 62.949 63.200 -0.016 0.000 0.844 78 S HN 0.356 nan 8.310 nan 0.000 0.459 79 M N 1.433 120.898 119.600 -0.226 0.000 2.132 79 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 79 M C 1.989 177.959 176.300 -0.551 0.000 1.065 79 M CA 1.448 56.452 55.300 -0.494 0.000 1.122 79 M CB -0.175 31.957 32.600 -0.780 0.000 1.365 79 M HN 0.230 nan 8.290 nan 0.000 0.411 80 E N -0.119 119.851 120.200 -0.384 0.000 2.085 80 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 80 E C 2.050 178.570 176.600 -0.132 0.000 0.994 80 E CA 1.775 58.052 56.400 -0.205 0.000 0.801 80 E CB -0.224 29.432 29.700 -0.073 0.000 0.743 80 E HN 0.689 nan 8.360 nan 0.000 0.453 81 Q N 0.017 119.760 119.800 -0.094 0.000 2.084 81 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 81 Q C 2.226 178.194 176.000 -0.053 0.000 0.978 81 Q CA 1.338 57.113 55.803 -0.046 0.000 0.844 81 Q CB -0.163 28.560 28.738 -0.025 0.000 0.898 81 Q HN 0.230 nan 8.270 nan 0.000 0.426 82 A N 0.745 123.509 122.820 -0.093 0.000 1.933 82 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 82 A C 2.013 179.579 177.584 -0.031 0.000 1.175 82 A CA 1.059 53.067 52.037 -0.049 0.000 0.628 82 A CB -0.560 18.412 19.000 -0.047 0.000 0.814 82 A HN 0.299 nan 8.150 nan 0.000 0.444 83 I N -0.348 120.139 120.570 -0.138 0.000 2.202 83 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 83 I C 2.980 179.077 176.117 -0.034 0.000 1.091 83 I CA 1.017 62.235 61.300 -0.137 0.000 1.368 83 I CB -0.315 37.465 38.000 -0.367 0.000 1.058 83 I HN 0.356 nan 8.210 nan 0.000 0.410 84 A N 0.319 123.125 122.820 -0.023 0.000 1.902 84 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 84 A C 2.003 179.605 177.584 0.031 0.000 1.181 84 A CA 2.366 54.414 52.037 0.017 0.000 0.623 84 A CB -0.732 18.279 19.000 0.018 0.000 0.818 84 A HN 0.440 nan 8.150 nan 0.000 0.443 85 D N -0.307 120.117 120.400 0.039 0.000 2.144 85 D HA 0.002 4.641 4.640 -0.000 0.000 0.199 85 D C 1.870 178.225 176.300 0.091 0.000 0.984 85 D CA 1.448 55.493 54.000 0.076 0.000 0.834 85 D CB -0.174 40.695 40.800 0.114 0.000 0.955 85 D HN 0.338 nan 8.370 nan 0.000 0.465 86 A N -0.732 122.137 122.820 0.082 0.000 2.167 86 A HA 0.367 4.686 4.320 -0.000 0.000 0.214 86 A C 1.832 179.455 177.584 0.065 0.000 1.151 86 A CA 1.115 53.201 52.037 0.082 0.000 0.735 86 A CB -0.570 18.466 19.000 0.060 0.000 0.802 86 A HN 0.472 nan 8.150 nan 0.000 0.467 87 G N -1.022 107.812 108.800 0.057 0.000 2.198 87 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.257 87 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.257 87 G C -0.065 174.883 174.900 0.080 0.000 1.042 87 G CA 0.319 45.453 45.100 0.057 0.000 0.791 87 G HN 0.453 nan 8.290 nan 0.000 0.502 88 L N 1.398 122.682 121.223 0.103 0.000 2.276 88 L HA 0.480 4.820 4.340 -0.000 0.000 0.286 88 L C 0.788 177.816 176.870 0.263 0.000 1.061 88 L CA -0.532 54.416 54.840 0.180 0.000 0.807 88 L CB 1.462 43.631 42.059 0.184 0.000 1.177 88 L HN 0.194 nan 8.230 nan 0.000 0.429 89 S N 3.886 119.727 115.700 0.235 0.000 2.632 89 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 89 S C -1.694 173.006 174.600 0.166 0.000 1.260 89 S CA -1.141 57.171 58.200 0.187 0.000 1.010 89 S CB 1.376 64.629 63.200 0.089 0.000 0.965 89 S HN 0.437 nan 8.310 nan 0.000 0.534 90 P HA -0.103 nan 4.420 nan 0.000 0.218 90 P C 0.857 177.980 177.300 -0.294 0.000 1.148 90 P CA 1.024 63.899 63.100 -0.375 0.000 0.822 90 P CB 0.094 31.673 31.700 -0.202 0.000 0.784 91 E N -0.288 119.844 120.200 -0.113 0.000 2.130 91 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 91 E C 2.101 178.668 176.600 -0.054 0.000 0.998 91 E CA 1.781 58.136 56.400 -0.074 0.000 0.806 91 E CB -0.994 28.689 29.700 -0.027 0.000 0.738 91 E HN 0.214 nan 8.360 nan 0.000 0.459 92 A N -0.007 122.813 122.820 0.000 0.000 1.898 92 A HA -0.098 4.221 4.320 -0.000 0.000 0.214 92 A C 2.003 179.656 177.584 0.114 0.000 1.183 92 A CA 1.425 53.510 52.037 0.079 0.000 0.622 92 A CB -0.509 18.577 19.000 0.144 0.000 0.824 92 A HN 0.508 nan 8.150 nan 0.000 0.444 93 Y N -1.054 119.290 120.300 0.073 0.000 2.498 93 Y HA 0.429 4.979 4.550 -0.000 0.000 0.259 93 Y C 0.807 176.744 175.900 0.062 0.000 1.086 93 Y CA -0.508 57.650 58.100 0.097 0.000 1.287 93 Y CB -0.255 38.323 38.460 0.197 0.000 1.146 93 Y HN 0.211 nan 8.280 nan 0.000 0.523 94 Q N 1.956 121.440 119.800 -0.526 0.000 2.299 94 Q HA 0.173 4.513 4.340 -0.000 0.000 0.246 94 Q C -0.345 175.467 176.000 -0.313 0.000 0.935 94 Q CA -0.084 55.483 55.803 -0.394 0.000 0.887 94 Q CB 0.467 28.923 28.738 -0.470 0.000 1.223 94 Q HN 0.537 nan 8.270 nan 0.000 0.439 95 N N 1.342 119.740 118.700 -0.502 0.000 2.727 95 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 95 N C -0.988 174.264 175.510 -0.430 0.000 1.048 95 N CA 0.069 52.566 53.050 -0.921 0.000 0.714 95 N CB -0.654 37.562 38.487 -0.453 0.000 0.959 95 N HN 0.446 nan 8.380 nan 0.000 0.544 96 N N 0.257 118.820 118.700 -0.228 0.000 2.483 96 N HA 0.242 4.982 4.740 -0.000 0.000 0.267 96 N C -1.888 173.670 175.510 0.081 0.000 0.998 96 N CA -2.232 50.808 53.050 -0.016 0.000 0.918 96 N CB 1.383 39.876 38.487 0.011 0.000 1.215 96 N HN -0.135 nan 8.380 nan 0.000 0.500 97 P HA -0.048 nan 4.420 nan 0.000 0.225 97 P C 0.387 177.726 177.300 0.065 0.000 1.148 97 P CA 0.788 63.962 63.100 0.125 0.000 0.779 97 P CB 0.450 32.208 31.700 0.096 0.000 0.780 98 R N -0.333 120.188 120.500 0.035 0.000 2.334 98 R HA 0.239 4.579 4.340 -0.000 0.000 0.220 98 R C 0.065 176.338 176.300 -0.045 0.000 0.917 98 R CA 0.025 56.117 56.100 -0.012 0.000 1.073 98 R CB 0.344 30.625 30.300 -0.031 0.000 1.056 98 R HN 0.127 nan 8.270 nan 0.000 0.506 99 V N 0.399 120.317 119.914 0.008 0.000 2.487 99 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 99 V C 0.400 176.530 176.094 0.060 0.000 1.028 99 V CA -0.770 61.537 62.300 0.012 0.000 0.860 99 V CB 1.744 33.634 31.823 0.113 0.000 0.991 99 V HN 0.303 nan 8.190 nan 0.000 0.427 100 G N 3.184 111.989 108.800 0.009 0.000 2.816 100 G HA2 0.797 4.757 3.960 -0.000 0.000 0.288 100 G HA3 0.797 4.757 3.960 -0.000 0.000 0.288 100 G C -1.878 173.057 174.900 0.060 0.000 1.334 100 G CA -0.746 44.361 45.100 0.012 0.000 0.978 100 G HN 0.680 nan 8.290 nan 0.000 0.493 101 L N -0.321 120.893 121.223 -0.015 0.000 2.476 101 L HA 0.725 5.065 4.340 -0.000 0.000 0.269 101 L C -1.447 175.344 176.870 -0.131 0.000 0.965 101 L CA -0.549 54.294 54.840 0.005 0.000 0.845 101 L CB 1.682 43.768 42.059 0.045 0.000 1.259 101 L HN 0.438 nan 8.230 nan 0.000 0.403 102 I N 5.416 125.922 120.570 -0.108 0.000 2.493 102 I HA 0.804 4.974 4.170 -0.000 0.000 0.279 102 I C -0.497 175.609 176.117 -0.018 0.000 1.045 102 I CA -0.389 60.837 61.300 -0.124 0.000 1.106 102 I CB 1.616 39.531 38.000 -0.141 0.000 1.216 102 I HN 0.810 nan 8.210 nan 0.000 0.459 103 A N 4.280 127.112 122.820 0.019 0.000 2.547 103 A HA 0.952 5.271 4.320 -0.000 0.000 0.297 103 A C -0.652 176.970 177.584 0.063 0.000 1.056 103 A CA -0.447 51.611 52.037 0.035 0.000 0.688 103 A CB 1.853 20.867 19.000 0.023 0.000 1.282 103 A HN 0.734 nan 8.150 nan 0.000 0.400 104 G N -0.158 108.680 108.800 0.065 0.000 2.866 104 G HA2 0.820 4.780 3.960 -0.000 0.000 0.289 104 G HA3 0.820 4.780 3.960 -0.000 0.000 0.289 104 G C -0.562 174.378 174.900 0.068 0.000 1.396 104 G CA 0.116 45.262 45.100 0.076 0.000 0.848 104 G HN 1.828 nan 8.290 nan 0.000 0.515 105 S N -1.839 113.904 115.700 0.072 0.000 2.599 105 S HA 0.661 5.131 4.470 -0.000 0.000 0.287 105 S C 0.970 175.614 174.600 0.073 0.000 1.105 105 S CA 0.177 58.419 58.200 0.069 0.000 0.899 105 S CB 1.638 64.881 63.200 0.071 0.000 1.100 105 S HN 1.406 nan 8.310 nan 0.000 0.482 106 G N 0.154 108.995 108.800 0.069 0.000 2.408 106 G HA2 0.293 4.253 3.960 -0.000 0.000 0.215 106 G HA3 0.293 4.253 3.960 -0.000 0.000 0.215 106 G C 0.913 175.875 174.900 0.103 0.000 1.156 106 G CA 0.459 45.609 45.100 0.083 0.000 0.793 106 G HN 1.130 nan 8.290 nan 0.000 0.535 107 G N -1.273 107.588 108.800 0.102 0.000 3.079 107 G HA2 0.451 4.411 3.960 -0.000 0.000 0.233 107 G HA3 0.451 4.411 3.960 -0.000 0.000 0.233 107 G C 1.061 176.012 174.900 0.086 0.000 1.062 107 G CA 0.852 46.016 45.100 0.107 0.000 0.809 107 G HN 1.157 nan 8.290 nan 0.000 0.535 108 G N 0.253 109.102 108.800 0.080 0.000 2.543 108 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.286 108 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.286 108 G C 0.319 175.269 174.900 0.084 0.000 1.153 108 G CA 0.618 45.764 45.100 0.077 0.000 0.968 108 G HN 1.345 nan 8.290 nan 0.000 0.544 109 S N 1.640 117.399 115.700 0.098 0.000 2.389 109 S HA 0.647 5.117 4.470 -0.000 0.000 0.201 109 S C -1.229 173.430 174.600 0.098 0.000 1.422 109 S CA -0.011 58.263 58.200 0.125 0.000 1.216 109 S CB 1.648 64.985 63.200 0.228 0.000 1.130 109 S HN 0.315 nan 8.310 nan 0.000 0.465 110 P HA -0.129 nan 4.420 nan 0.000 0.217 110 P C 1.503 178.755 177.300 -0.081 0.000 1.148 110 P CA 0.735 63.823 63.100 -0.020 0.000 0.828 110 P CB 0.134 31.804 31.700 -0.050 0.000 0.783 111 R N -0.942 119.487 120.500 -0.118 0.000 2.080 111 R HA -0.149 4.191 4.340 -0.000 0.000 0.236 111 R C 1.910 178.069 176.300 -0.235 0.000 1.137 111 R CA 1.757 57.707 56.100 -0.251 0.000 0.943 111 R CB -0.938 29.166 30.300 -0.327 0.000 0.846 111 R HN 0.081 nan 8.270 nan 0.000 0.431 112 F N 0.568 120.539 119.950 0.035 0.000 2.367 112 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 112 F C 2.554 178.456 175.800 0.170 0.000 1.094 112 F CA 0.980 59.054 58.000 0.123 0.000 1.409 112 F CB -0.376 38.662 39.000 0.063 0.000 1.064 112 F HN 0.156 nan 8.300 nan 0.000 0.528 113 Q N 0.691 120.626 119.800 0.225 0.000 2.061 113 Q HA -0.145 4.194 4.340 -0.000 0.000 0.204 113 Q C 2.166 178.220 176.000 0.090 0.000 0.984 113 Q CA 2.011 57.898 55.803 0.140 0.000 0.846 113 Q CB -0.704 28.083 28.738 0.083 0.000 0.902 113 Q HN 0.257 nan 8.270 nan 0.000 0.421 114 V N 0.568 120.507 119.914 0.043 0.000 2.427 114 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 114 V C 2.012 178.130 176.094 0.040 0.000 1.051 114 V CA 1.656 63.961 62.300 0.009 0.000 1.048 114 V CB -0.825 30.957 31.823 -0.068 0.000 0.666 114 V HN 0.446 nan 8.190 nan 0.000 0.456 115 F N 2.277 122.194 119.950 -0.056 0.000 2.095 115 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 115 F C 2.172 177.997 175.800 0.042 0.000 1.104 115 F CA 1.863 59.846 58.000 -0.028 0.000 1.232 115 F CB -0.928 38.017 39.000 -0.091 0.000 0.987 115 F HN 0.130 nan 8.300 nan 0.000 0.475 116 G N -0.190 108.582 108.800 -0.047 0.000 2.421 116 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 116 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 116 G C 1.812 176.611 174.900 -0.170 0.000 1.171 116 G CA 0.967 45.987 45.100 -0.132 0.000 0.775 116 G HN 0.660 nan 8.290 nan 0.000 0.543 117 A N 0.949 123.720 122.820 -0.082 0.000 1.898 117 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 117 A C 2.111 179.638 177.584 -0.095 0.000 1.181 117 A CA 2.104 54.103 52.037 -0.063 0.000 0.620 117 A CB -0.420 18.568 19.000 -0.020 0.000 0.819 117 A HN 0.276 nan 8.150 nan 0.000 0.442 118 D N 0.176 120.505 120.400 -0.118 0.000 2.097 118 D HA -0.063 4.577 4.640 -0.000 0.000 0.195 118 D C 2.247 178.443 176.300 -0.173 0.000 0.989 118 D CA 1.639 55.574 54.000 -0.109 0.000 0.827 118 D CB -0.469 40.289 40.800 -0.071 0.000 0.966 118 D HN 0.409 nan 8.370 nan 0.000 0.456 119 A N 0.552 123.165 122.820 -0.346 0.000 1.902 119 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 119 A C 2.151 179.625 177.584 -0.183 0.000 1.181 119 A CA 1.799 53.633 52.037 -0.339 0.000 0.623 119 A CB -0.570 18.044 19.000 -0.643 0.000 0.818 119 A HN 0.186 nan 8.150 nan 0.000 0.443 120 M N -0.176 119.327 119.600 -0.161 0.000 2.213 120 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 120 M C 1.826 178.089 176.300 -0.061 0.000 1.062 120 M CA 1.499 56.746 55.300 -0.089 0.000 1.105 120 M CB -0.365 32.194 32.600 -0.067 0.000 1.385 120 M HN 0.354 nan 8.290 nan 0.000 0.417 121 R N -0.055 120.408 120.500 -0.062 0.000 2.299 121 R HA 0.179 4.519 4.340 -0.000 0.000 0.197 121 R C 1.055 177.335 176.300 -0.032 0.000 0.971 121 R CA 0.339 56.416 56.100 -0.038 0.000 1.030 121 R CB -0.357 29.925 30.300 -0.030 0.000 0.932 121 R HN 0.475 nan 8.270 nan 0.000 0.477 122 G N 0.931 109.706 108.800 -0.042 0.000 2.557 122 G HA2 0.145 4.105 3.960 -0.000 0.000 0.292 122 G HA3 0.145 4.105 3.960 -0.000 0.000 0.292 122 G C -1.568 173.319 174.900 -0.021 0.000 1.237 122 G CA -1.045 44.038 45.100 -0.028 0.000 0.978 122 G HN -0.094 nan 8.290 nan 0.000 0.498 123 P HA -0.063 nan 4.420 nan 0.000 0.220 123 P C 1.339 178.634 177.300 -0.008 0.000 1.148 123 P CA 0.878 63.973 63.100 -0.008 0.000 0.803 123 P CB 0.267 31.965 31.700 -0.003 0.000 0.782 124 R N -0.922 119.571 120.500 -0.010 0.000 2.297 124 R HA 0.198 4.538 4.340 -0.000 0.000 0.197 124 R C 1.669 177.961 176.300 -0.013 0.000 0.943 124 R CA 0.499 56.595 56.100 -0.007 0.000 1.038 124 R CB -0.413 29.887 30.300 0.001 0.000 0.957 124 R HN 0.168 nan 8.270 nan 0.000 0.484 125 G N 1.896 110.682 108.800 -0.024 0.000 2.651 125 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.315 125 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.315 125 G C 0.826 175.710 174.900 -0.027 0.000 1.258 125 G CA 0.523 45.607 45.100 -0.027 0.000 1.002 125 G HN 0.228 nan 8.290 nan 0.000 0.551 126 L N 0.547 121.759 121.223 -0.018 0.000 2.129 126 L HA -0.113 4.226 4.340 -0.000 0.000 0.212 126 L C 2.999 179.866 176.870 -0.004 0.000 1.087 126 L CA 2.257 57.090 54.840 -0.012 0.000 0.757 126 L CB -0.488 41.565 42.059 -0.009 0.000 0.896 126 L HN 0.540 nan 8.230 nan 0.000 0.434 127 K N -0.043 120.357 120.400 -0.001 0.000 2.148 127 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 127 K C 2.180 178.797 176.600 0.027 0.000 1.050 127 K CA 1.223 57.516 56.287 0.010 0.000 0.942 127 K CB -0.195 32.310 32.500 0.009 0.000 0.724 127 K HN 0.295 nan 8.250 nan 0.000 0.446 128 A N 0.925 123.753 122.820 0.013 0.000 2.016 128 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 128 A C 2.284 179.889 177.584 0.035 0.000 1.162 128 A CA 0.742 52.793 52.037 0.023 0.000 0.662 128 A CB -0.273 18.710 19.000 -0.027 0.000 0.812 128 A HN 0.037 nan 8.150 nan 0.000 0.450 129 V N -0.400 119.512 119.914 -0.003 0.000 2.307 129 V HA 0.177 4.297 4.120 -0.000 0.000 0.245 129 V C 1.700 177.911 176.094 0.196 0.000 1.045 129 V CA 1.111 63.434 62.300 0.038 0.000 1.024 129 V CB -1.929 29.896 31.823 0.004 0.000 0.651 129 V HN 1.147 nan 8.190 nan 0.000 0.449 130 G N 0.726 109.589 108.800 0.105 0.000 2.860 130 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.553 130 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.553 130 G C -1.476 173.415 174.900 -0.015 0.000 1.439 130 G CA -0.030 45.108 45.100 0.063 0.000 0.879 130 G HN 0.350 nan 8.290 nan 0.000 0.545 131 P HA 0.215 nan 4.420 nan 0.000 0.262 131 P C 0.283 177.360 177.300 -0.373 0.000 1.304 131 P CA 0.757 63.662 63.100 -0.326 0.000 0.859 131 P CB 0.085 31.492 31.700 -0.490 0.000 1.310 132 Y N -1.320 118.995 120.300 0.026 0.000 2.467 132 Y HA 0.113 4.662 4.550 -0.000 0.000 0.250 132 Y C 2.218 178.114 175.900 -0.007 0.000 1.155 132 Y CA -0.134 57.961 58.100 -0.009 0.000 1.249 132 Y CB -0.295 38.076 38.460 -0.148 0.000 1.146 132 Y HN -0.277 nan 8.280 nan 0.000 0.524 133 V N -1.249 118.762 119.914 0.162 0.000 2.427 133 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 133 V C 2.088 178.252 176.094 0.117 0.000 1.051 133 V CA 1.525 63.922 62.300 0.162 0.000 1.048 133 V CB -0.712 31.264 31.823 0.255 0.000 0.666 133 V HN 0.219 nan 8.190 nan 0.000 0.456 134 V N 1.239 121.214 119.914 0.103 0.000 2.287 134 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 134 V C 2.786 178.923 176.094 0.073 0.000 1.053 134 V CA 2.662 65.011 62.300 0.081 0.000 1.027 134 V CB -1.372 30.489 31.823 0.062 0.000 0.646 134 V HN 0.808 nan 8.190 nan 0.000 0.447 135 T N -1.964 112.646 114.554 0.095 0.000 2.951 135 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 135 T C 1.735 176.454 174.700 0.030 0.000 1.073 135 T CA 1.075 63.219 62.100 0.073 0.000 1.134 135 T CB -0.235 68.711 68.868 0.129 0.000 0.884 135 T HN 0.475 nan 8.240 nan 0.000 0.479 136 K N 1.389 121.778 120.400 -0.018 0.000 2.062 136 K HA 0.255 4.575 4.320 -0.000 0.000 0.205 136 K C 2.618 179.230 176.600 0.019 0.000 1.051 136 K CA 1.170 57.383 56.287 -0.122 0.000 0.941 136 K CB -0.213 32.009 32.500 -0.464 0.000 0.719 136 K HN 0.428 nan 8.250 nan 0.000 0.440 137 A N 1.760 124.627 122.820 0.079 0.000 2.147 137 A HA 0.099 4.419 4.320 -0.000 0.000 0.211 137 A C 1.205 178.839 177.584 0.083 0.000 1.160 137 A CA -0.176 51.932 52.037 0.118 0.000 0.781 137 A CB -0.347 18.742 19.000 0.148 0.000 0.842 137 A HN 0.323 nan 8.150 nan 0.000 0.475 138 M N -1.833 117.805 119.600 0.065 0.000 2.240 138 M HA 0.550 5.030 4.480 -0.000 0.000 0.333 138 M C 0.923 177.257 176.300 0.055 0.000 1.110 138 M CA 0.389 55.723 55.300 0.055 0.000 1.173 138 M CB 0.717 33.344 32.600 0.045 0.000 1.458 138 M HN 0.018 nan 8.290 nan 0.000 0.458 139 A N 1.658 124.510 122.820 0.054 0.000 2.019 139 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 139 A C 1.959 179.579 177.584 0.061 0.000 1.164 139 A CA 1.776 53.847 52.037 0.057 0.000 0.644 139 A CB -0.916 18.116 19.000 0.053 0.000 0.805 139 A HN 0.994 nan 8.150 nan 0.000 0.449 140 S N -1.053 114.681 115.700 0.058 0.000 2.597 140 S HA 0.303 4.773 4.470 -0.000 0.000 0.224 140 S C 1.654 176.288 174.600 0.056 0.000 0.955 140 S CA 0.551 58.790 58.200 0.065 0.000 0.933 140 S CB -0.264 62.975 63.200 0.067 0.000 0.788 140 S HN 0.569 nan 8.310 nan 0.000 0.488 141 G N 2.346 111.176 108.800 0.049 0.000 2.513 141 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 141 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 141 G C 1.298 176.226 174.900 0.046 0.000 1.160 141 G CA 1.373 46.496 45.100 0.039 0.000 0.767 141 G HN 0.483 nan 8.290 nan 0.000 0.571 142 V N 1.714 121.662 119.914 0.057 0.000 2.343 142 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 142 V C 3.275 179.414 176.094 0.074 0.000 1.051 142 V CA 2.489 64.829 62.300 0.068 0.000 1.036 142 V CB -0.525 31.340 31.823 0.069 0.000 0.654 142 V HN 0.650 nan 8.190 nan 0.000 0.451 143 S N 1.049 116.789 115.700 0.068 0.000 2.357 143 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 143 S C 2.171 176.808 174.600 0.061 0.000 1.031 143 S CA 1.171 59.409 58.200 0.063 0.000 0.982 143 S CB -0.657 62.580 63.200 0.062 0.000 0.853 143 S HN 0.549 nan 8.310 nan 0.000 0.458 144 A N 0.872 123.720 122.820 0.046 0.000 1.908 144 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 144 A C 2.394 179.984 177.584 0.009 0.000 1.181 144 A CA 1.654 53.701 52.037 0.017 0.000 0.627 144 A CB -1.535 17.462 19.000 -0.006 0.000 0.818 144 A HN 0.704 nan 8.150 nan 0.000 0.445 145 C N -1.360 117.960 119.300 0.033 0.000 2.472 145 C HA 0.179 4.639 4.460 -0.000 0.000 0.278 145 C C 2.193 177.259 174.990 0.127 0.000 1.447 145 C CA 0.673 59.718 59.018 0.044 0.000 1.773 145 C CB -1.228 26.541 27.740 0.049 0.000 1.793 145 C HN 0.534 nan 8.230 nan 0.000 0.544 146 L N 0.114 121.442 121.223 0.174 0.000 2.500 146 L HA 0.280 4.620 4.340 -0.000 0.000 0.219 146 L C 2.567 179.606 176.870 0.282 0.000 1.057 146 L CA 1.315 56.344 54.840 0.315 0.000 0.854 146 L CB -0.957 41.269 42.059 0.278 0.000 1.078 146 L HN 0.153 nan 8.230 nan 0.000 0.480 147 A N -0.910 122.007 122.820 0.161 0.000 1.933 147 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 147 A C 2.302 179.966 177.584 0.132 0.000 1.175 147 A CA 2.396 54.519 52.037 0.144 0.000 0.628 147 A CB -0.877 18.177 19.000 0.089 0.000 0.814 147 A HN 0.379 nan 8.150 nan 0.000 0.444 148 T N 0.370 114.969 114.554 0.074 0.000 2.668 148 T HA -0.066 4.284 4.350 -0.000 0.000 0.262 148 T C -0.127 174.592 174.700 0.031 0.000 1.045 148 T CA 1.703 63.824 62.100 0.034 0.000 1.152 148 T CB -0.994 67.850 68.868 -0.039 0.000 0.864 148 T HN 0.474 nan 8.240 nan 0.000 0.419 149 P HA 0.005 nan 4.420 nan 0.000 0.219 149 P C 0.822 178.012 177.300 -0.183 0.000 1.150 149 P CA 1.053 64.091 63.100 -0.103 0.000 0.814 149 P CB -0.257 31.369 31.700 -0.123 0.000 0.787 150 F N 0.333 120.337 119.950 0.091 0.000 2.811 150 F HA 0.181 4.708 4.527 -0.000 0.000 0.301 150 F C 1.041 176.901 175.800 0.100 0.000 1.151 150 F CA 0.118 58.171 58.000 0.089 0.000 1.412 150 F CB -0.724 38.256 39.000 -0.032 0.000 1.113 150 F HN -0.156 nan 8.300 nan 0.000 0.579 151 K N 0.591 121.094 120.400 0.172 0.000 3.096 151 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 151 K C -0.482 176.188 176.600 0.117 0.000 1.043 151 K CA 0.001 56.346 56.287 0.097 0.000 0.758 151 K CB -1.746 30.742 32.500 -0.019 0.000 1.260 151 K HN 0.111 nan 8.250 nan 0.000 0.481 152 I N 1.149 121.845 120.570 0.210 0.000 2.556 152 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 152 I C 1.820 178.123 176.117 0.310 0.000 1.114 152 I CA 0.570 62.005 61.300 0.225 0.000 1.418 152 I CB 0.496 38.616 38.000 0.199 0.000 1.394 152 I HN 0.273 nan 8.210 nan 0.000 0.552 153 H N 3.383 122.498 119.070 0.075 0.000 2.750 153 H HA 0.157 4.713 4.556 -0.000 0.000 0.263 153 H C 1.399 176.747 175.328 0.032 0.000 0.964 153 H CA 0.093 56.168 56.048 0.045 0.000 1.205 153 H CB 1.310 31.095 29.762 0.037 0.000 1.454 153 H HN 0.768 nan 8.280 nan 0.000 0.503 154 G N 1.076 109.967 108.800 0.151 0.000 2.783 154 G HA2 0.210 4.170 3.960 -0.000 0.000 0.182 154 G HA3 0.210 4.170 3.960 -0.000 0.000 0.182 154 G C 0.151 175.064 174.900 0.022 0.000 1.516 154 G CA 0.092 45.232 45.100 0.066 0.000 1.079 154 G HN 0.126 nan 8.290 nan 0.000 0.573 155 V N -0.690 119.204 119.914 -0.033 0.000 2.872 155 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 155 V C -0.240 175.745 176.094 -0.181 0.000 1.072 155 V CA -0.247 61.981 62.300 -0.120 0.000 1.148 155 V CB 1.168 32.850 31.823 -0.234 0.000 0.954 155 V HN 0.761 nan 8.190 nan 0.000 0.490 156 N N 3.431 122.004 118.700 -0.211 0.000 2.664 156 N HA 0.479 5.218 4.740 -0.000 0.000 0.268 156 N C -1.236 174.236 175.510 -0.062 0.000 1.222 156 N CA -0.605 52.364 53.050 -0.135 0.000 0.805 156 N CB 1.082 39.568 38.487 -0.002 0.000 1.399 156 N HN 0.976 nan 8.380 nan 0.000 0.547 157 Y N -0.982 119.340 120.300 0.037 0.000 2.750 157 Y HA 0.709 5.259 4.550 -0.000 0.000 0.335 157 Y C -1.146 174.773 175.900 0.033 0.000 1.252 157 Y CA -1.247 56.871 58.100 0.030 0.000 1.064 157 Y CB 0.394 38.868 38.460 0.024 0.000 1.321 157 Y HN 0.098 nan 8.280 nan 0.000 0.451 158 S N 1.271 117.163 115.700 0.321 0.000 2.472 158 S HA 0.708 5.178 4.470 -0.000 0.000 0.303 158 S C -0.684 174.043 174.600 0.213 0.000 1.099 158 S CA -0.628 57.697 58.200 0.209 0.000 1.077 158 S CB 0.758 64.034 63.200 0.128 0.000 1.031 158 S HN 0.520 nan 8.310 nan 0.000 0.487 159 I N 2.811 123.494 120.570 0.187 0.000 2.428 159 I HA 0.433 4.602 4.170 -0.000 0.000 0.296 159 I C 0.196 176.378 176.117 0.108 0.000 0.985 159 I CA -0.247 61.131 61.300 0.131 0.000 1.260 159 I CB 1.676 39.766 38.000 0.149 0.000 1.389 159 I HN 0.655 nan 8.210 nan 0.000 0.484 160 S N 2.457 118.206 115.700 0.083 0.000 2.536 160 S HA 0.704 5.174 4.470 -0.000 0.000 0.287 160 S C -0.307 174.350 174.600 0.095 0.000 1.101 160 S CA -0.515 57.740 58.200 0.092 0.000 0.950 160 S CB 1.781 65.029 63.200 0.080 0.000 1.056 160 S HN 0.675 nan 8.310 nan 0.000 0.481 161 S N 0.352 116.132 115.700 0.134 0.000 2.665 161 S HA 0.618 5.088 4.470 -0.000 0.000 0.226 161 S C 0.661 175.362 174.600 0.168 0.000 0.773 161 S CA -0.061 58.237 58.200 0.163 0.000 1.041 161 S CB -0.663 62.691 63.200 0.257 0.000 1.570 161 S HN 2.335 nan 8.310 nan 0.000 0.470 162 A N 0.878 123.778 122.820 0.134 0.000 5.391 162 A HA -0.358 3.962 4.320 -0.000 0.000 0.315 162 A C 1.755 179.376 177.584 0.062 0.000 1.874 162 A CA 1.420 53.518 52.037 0.103 0.000 0.714 162 A CB -2.308 16.772 19.000 0.133 0.000 1.335 162 A HN 1.546 nan 8.150 nan 0.000 0.382 163 C N 0.206 119.530 119.300 0.041 0.000 2.422 163 C HA 0.309 4.769 4.460 -0.000 0.000 0.286 163 C C 2.815 177.850 174.990 0.075 0.000 1.412 163 C CA 1.305 60.386 59.018 0.103 0.000 1.786 163 C CB -1.933 25.946 27.740 0.231 0.000 1.835 163 C HN 1.423 nan 8.230 nan 0.000 0.533 164 A N 0.170 123.033 122.820 0.072 0.000 2.308 164 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 164 A C 1.954 179.580 177.584 0.070 0.000 1.216 164 A CA 0.963 53.011 52.037 0.018 0.000 0.864 164 A CB -0.651 18.373 19.000 0.040 0.000 0.902 164 A HN 0.460 nan 8.150 nan 0.000 0.499 165 T N 1.374 116.000 114.554 0.120 0.000 2.565 165 T HA -0.245 4.105 4.350 -0.000 0.000 0.265 165 T C 2.241 176.999 174.700 0.097 0.000 1.082 165 T CA 2.592 64.774 62.100 0.136 0.000 1.173 165 T CB -0.410 68.513 68.868 0.093 0.000 0.864 165 T HN 0.787 nan 8.240 nan 0.000 0.425 166 S N 1.196 116.914 115.700 0.030 0.000 2.496 166 S HA 0.317 4.787 4.470 -0.000 0.000 0.224 166 S C 2.289 176.860 174.600 -0.047 0.000 0.996 166 S CA 0.603 58.800 58.200 -0.004 0.000 0.927 166 S CB -0.300 62.884 63.200 -0.027 0.000 0.774 166 S HN 0.529 nan 8.310 nan 0.000 0.524 167 A N 2.466 125.239 122.820 -0.079 0.000 1.873 167 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 167 A C 2.123 179.625 177.584 -0.137 0.000 1.186 167 A CA 1.328 53.281 52.037 -0.140 0.000 0.616 167 A CB -1.015 17.870 19.000 -0.192 0.000 0.823 167 A HN 0.612 nan 8.150 nan 0.000 0.442 168 H N -0.839 118.250 119.070 0.032 0.000 2.423 168 H HA -0.112 4.444 4.556 -0.000 0.000 0.297 168 H C 2.364 177.670 175.328 -0.038 0.000 1.075 168 H CA 1.331 57.413 56.048 0.058 0.000 1.342 168 H CB -0.531 29.306 29.762 0.125 0.000 1.395 168 H HN 0.543 nan 8.280 nan 0.000 0.530 169 C N 0.555 119.905 119.300 0.084 0.000 2.429 169 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 169 C C 2.993 177.937 174.990 -0.075 0.000 1.262 169 C CA 0.473 59.508 59.018 0.027 0.000 1.733 169 C CB -1.062 26.692 27.740 0.025 0.000 2.010 169 C HN 0.434 nan 8.230 nan 0.000 0.483 170 I N 1.133 121.623 120.570 -0.134 0.000 2.179 170 I HA -0.117 4.052 4.170 -0.000 0.000 0.242 170 I C 2.735 178.649 176.117 -0.339 0.000 1.088 170 I CA 1.818 63.000 61.300 -0.196 0.000 1.357 170 I CB -0.909 36.982 38.000 -0.182 0.000 1.051 170 I HN 0.449 nan 8.210 nan 0.000 0.409 171 G N 0.367 108.795 108.800 -0.620 0.000 2.418 171 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 171 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 171 G C 1.452 175.949 174.900 -0.672 0.000 1.158 171 G CA 0.912 45.171 45.100 -1.402 0.000 0.771 171 G HN 0.416 nan 8.290 nan 0.000 0.545 172 N N 0.847 119.381 118.700 -0.276 0.000 2.188 172 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 172 N C 2.568 178.053 175.510 -0.041 0.000 1.018 172 N CA 0.973 54.009 53.050 -0.022 0.000 0.858 172 N CB -0.109 38.447 38.487 0.115 0.000 0.989 172 N HN 0.261 nan 8.380 nan 0.000 0.426 173 A N 0.862 123.621 122.820 -0.100 0.000 1.883 173 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 173 A C 2.417 179.941 177.584 -0.101 0.000 1.186 173 A CA 1.322 53.295 52.037 -0.107 0.000 0.624 173 A CB -0.861 18.060 19.000 -0.132 0.000 0.822 173 A HN 0.184 nan 8.150 nan 0.000 0.444 174 V N 0.161 119.999 119.914 -0.127 0.000 2.332 174 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 174 V C 2.407 178.489 176.094 -0.020 0.000 1.055 174 V CA 2.414 64.667 62.300 -0.079 0.000 1.038 174 V CB -0.938 30.832 31.823 -0.088 0.000 0.651 174 V HN 0.662 nan 8.190 nan 0.000 0.450 175 E N -0.566 119.639 120.200 0.009 0.000 2.118 175 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 175 E C 2.389 179.007 176.600 0.031 0.000 0.992 175 E CA 1.145 57.579 56.400 0.057 0.000 0.804 175 E CB -0.168 29.595 29.700 0.106 0.000 0.741 175 E HN 0.551 nan 8.360 nan 0.000 0.458 176 Q N 0.269 120.075 119.800 0.010 0.000 2.124 176 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 176 Q C 2.268 178.257 176.000 -0.019 0.000 0.977 176 Q CA 1.054 56.856 55.803 -0.001 0.000 0.850 176 Q CB -0.166 28.558 28.738 -0.024 0.000 0.901 176 Q HN 0.401 nan 8.270 nan 0.000 0.429 177 I N 0.702 121.251 120.570 -0.034 0.000 2.202 177 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 177 I C 2.432 178.540 176.117 -0.015 0.000 1.091 177 I CA 1.101 62.377 61.300 -0.040 0.000 1.368 177 I CB -0.153 37.813 38.000 -0.057 0.000 1.058 177 I HN 0.224 nan 8.210 nan 0.000 0.410 178 Q N 0.245 120.046 119.800 0.001 0.000 2.124 178 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 178 Q C 2.180 178.190 176.000 0.016 0.000 0.977 178 Q CA 1.293 57.105 55.803 0.015 0.000 0.850 178 Q CB -0.123 28.634 28.738 0.032 0.000 0.901 178 Q HN 0.522 nan 8.270 nan 0.000 0.429 179 L N -0.740 120.493 121.223 0.017 0.000 2.552 179 L HA 0.039 4.379 4.340 -0.000 0.000 0.227 179 L C 1.238 178.115 176.870 0.011 0.000 1.146 179 L CA 0.497 55.348 54.840 0.018 0.000 0.858 179 L CB -0.187 41.887 42.059 0.025 0.000 0.969 179 L HN 0.444 nan 8.230 nan 0.000 0.451 180 G N -0.020 108.782 108.800 0.003 0.000 2.148 180 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 180 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 180 G C 1.014 175.911 174.900 -0.004 0.000 0.981 180 G CA 0.623 45.723 45.100 -0.001 0.000 0.670 180 G HN 0.393 nan 8.290 nan 0.000 0.528 181 K N -0.868 119.529 120.400 -0.005 0.000 2.262 181 K HA 0.114 4.434 4.320 -0.000 0.000 0.200 181 K C 0.925 177.513 176.600 -0.019 0.000 1.049 181 K CA 0.775 57.060 56.287 -0.003 0.000 0.979 181 K CB 0.078 32.584 32.500 0.010 0.000 0.773 181 K HN 0.414 nan 8.250 nan 0.000 0.474 182 Q N -0.200 119.575 119.800 -0.042 0.000 2.389 182 Q HA 0.143 4.483 4.340 -0.000 0.000 0.277 182 Q C -0.528 175.399 176.000 -0.122 0.000 1.082 182 Q CA -0.345 55.412 55.803 -0.077 0.000 0.810 182 Q CB 2.016 30.701 28.738 -0.088 0.000 1.374 182 Q HN -0.053 nan 8.270 nan 0.000 0.422 183 D N 0.317 120.602 120.400 -0.191 0.000 2.324 183 D HA 0.261 4.901 4.640 -0.000 0.000 0.212 183 D C 0.247 176.314 176.300 -0.387 0.000 0.984 183 D CA 0.838 54.637 54.000 -0.334 0.000 0.885 183 D CB 1.185 41.634 40.800 -0.585 0.000 0.996 183 D HN 0.368 nan 8.370 nan 0.000 0.505 184 I N 0.688 121.052 120.570 -0.343 0.000 2.619 184 I HA 0.255 4.424 4.170 -0.000 0.000 0.292 184 I C -1.185 174.713 176.117 -0.364 0.000 1.100 184 I CA -0.774 60.291 61.300 -0.392 0.000 1.043 184 I CB 3.284 41.003 38.000 -0.468 0.000 1.239 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.859 125.540 119.914 -0.388 0.000 2.525 185 V HA 0.391 4.511 4.120 -0.000 0.000 0.299 185 V C -0.654 175.216 176.094 -0.374 0.000 1.034 185 V CA -0.621 61.497 62.300 -0.303 0.000 0.863 185 V CB 1.713 33.426 31.823 -0.184 0.000 0.999 185 V HN 0.365 nan 8.190 nan 0.000 0.423 186 F N 3.433 123.283 119.950 -0.166 0.000 2.472 186 F HA 0.647 5.174 4.527 -0.000 0.000 0.364 186 F C 0.754 176.458 175.800 -0.160 0.000 1.090 186 F CA 0.090 57.975 58.000 -0.191 0.000 1.188 186 F CB 0.979 39.826 39.000 -0.255 0.000 1.105 186 F HN 0.580 nan 8.300 nan 0.000 0.536 187 A N 2.427 125.249 122.820 0.004 0.000 2.414 187 A HA 0.942 5.262 4.320 -0.000 0.000 0.306 187 A C -0.042 177.518 177.584 -0.038 0.000 1.054 187 A CA 0.088 52.104 52.037 -0.035 0.000 0.724 187 A CB 1.532 20.484 19.000 -0.079 0.000 1.267 187 A HN 1.053 nan 8.150 nan 0.000 0.418 188 G N -0.402 108.380 108.800 -0.030 0.000 2.452 188 G HA2 0.736 4.696 3.960 -0.000 0.000 0.224 188 G HA3 0.736 4.696 3.960 -0.000 0.000 0.224 188 G C -0.175 174.720 174.900 -0.008 0.000 1.208 188 G CA 0.417 45.497 45.100 -0.034 0.000 0.946 188 G HN 2.349 nan 8.290 nan 0.000 0.481 189 G N -2.141 106.659 108.800 -0.001 0.000 2.349 189 G HA2 0.804 4.764 3.960 -0.000 0.000 0.294 189 G HA3 0.804 4.764 3.960 -0.000 0.000 0.294 189 G C -0.584 174.343 174.900 0.046 0.000 1.380 189 G CA 0.624 45.740 45.100 0.027 0.000 0.811 189 G HN 2.061 nan 8.290 nan 0.000 0.519 190 G N -1.191 107.651 108.800 0.070 0.000 2.704 190 G HA2 0.676 4.636 3.960 -0.000 0.000 0.293 190 G HA3 0.676 4.636 3.960 -0.000 0.000 0.293 190 G C -1.933 173.036 174.900 0.114 0.000 1.421 190 G CA -0.348 44.823 45.100 0.119 0.000 0.870 190 G HN 0.672 nan 8.290 nan 0.000 0.492 191 E N -0.216 120.083 120.200 0.165 0.000 2.304 191 E HA 0.349 4.699 4.350 -0.000 0.000 0.277 191 E C -0.142 176.578 176.600 0.200 0.000 0.898 191 E CA -0.699 55.777 56.400 0.126 0.000 0.764 191 E CB 1.593 31.326 29.700 0.055 0.000 1.216 191 E HN 0.708 nan 8.360 nan 0.000 0.419 192 E N 3.111 123.389 120.200 0.131 0.000 2.369 192 E HA 0.375 4.725 4.350 -0.000 0.000 0.255 192 E C -0.809 175.848 176.600 0.094 0.000 1.172 192 E CA -0.767 55.707 56.400 0.124 0.000 0.932 192 E CB 1.037 30.765 29.700 0.047 0.000 1.040 192 E HN 0.251 nan 8.360 nan 0.000 0.454 193 L N 2.124 123.382 121.223 0.058 0.000 2.372 193 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 193 L C -1.407 175.506 176.870 0.071 0.000 0.988 193 L CA -0.411 54.432 54.840 0.006 0.000 0.833 193 L CB 0.957 42.885 42.059 -0.217 0.000 1.236 193 L HN 0.921 nan 8.230 nan 0.000 0.410 194 C N 2.345 121.749 119.300 0.173 0.000 3.241 194 C HA 0.406 4.866 4.460 -0.000 0.000 0.348 194 C C 1.056 176.143 174.990 0.163 0.000 1.180 194 C CA -1.035 58.072 59.018 0.148 0.000 1.273 194 C CB 0.549 28.245 27.740 -0.074 0.000 1.620 194 C HN 1.066 nan 8.230 nan 0.000 0.510 195 W N 1.253 122.660 121.300 0.179 0.000 2.392 195 W HA -0.015 4.645 4.660 -0.000 0.000 0.279 195 W C 0.983 177.566 176.519 0.106 0.000 1.225 195 W CA 1.893 59.307 57.345 0.115 0.000 1.233 195 W CB -0.938 28.550 29.460 0.048 0.000 1.122 195 W HN 0.877 nan 8.180 nan 0.000 0.561 196 E N 0.761 120.383 120.200 -0.964 0.000 2.085 196 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 196 E C 2.357 178.801 176.600 -0.259 0.000 0.994 196 E CA 2.511 58.339 56.400 -0.954 0.000 0.801 196 E CB -0.636 28.516 29.700 -0.914 0.000 0.743 196 E HN 0.355 nan 8.360 nan 0.000 0.453 197 M N -0.586 118.957 119.600 -0.095 0.000 2.325 197 M HA 0.112 4.592 4.480 -0.000 0.000 0.265 197 M C 2.065 178.524 176.300 0.266 0.000 1.094 197 M CA 1.122 56.479 55.300 0.095 0.000 1.161 197 M CB 0.139 32.824 32.600 0.142 0.000 1.358 197 M HN 0.157 nan 8.290 nan 0.000 0.446 198 A N 0.324 123.306 122.820 0.271 0.000 1.978 198 A HA -0.225 4.094 4.320 -0.000 0.000 0.220 198 A C 2.304 180.078 177.584 0.316 0.000 1.170 198 A CA 1.766 54.006 52.037 0.339 0.000 0.636 198 A CB -1.682 17.484 19.000 0.277 0.000 0.810 198 A HN 0.869 nan 8.150 nan 0.000 0.448 199 C N -0.627 118.834 119.300 0.270 0.000 2.432 199 C HA -0.013 4.447 4.460 -0.000 0.000 0.280 199 C C 2.131 177.216 174.990 0.159 0.000 1.353 199 C CA 0.922 60.079 59.018 0.231 0.000 1.766 199 C CB -1.448 26.473 27.740 0.301 0.000 1.924 199 C HN 0.655 nan 8.230 nan 0.000 0.509 200 E N 0.553 120.823 120.200 0.116 0.000 2.110 200 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 200 E C 1.762 178.320 176.600 -0.069 0.000 0.988 200 E CA 1.523 57.907 56.400 -0.027 0.000 0.804 200 E CB -0.322 29.284 29.700 -0.157 0.000 0.745 200 E HN 0.785 nan 8.360 nan 0.000 0.458 201 F N 1.146 121.165 119.950 0.116 0.000 2.163 201 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 201 F C 2.257 178.077 175.800 0.035 0.000 1.094 201 F CA 0.970 59.037 58.000 0.112 0.000 1.290 201 F CB -0.215 38.833 39.000 0.081 0.000 1.017 201 F HN -0.050 nan 8.300 nan 0.000 0.483 202 D N 0.483 120.997 120.400 0.190 0.000 2.123 202 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 202 D C 2.241 178.588 176.300 0.079 0.000 0.992 202 D CA 1.377 55.434 54.000 0.096 0.000 0.833 202 D CB -0.280 40.576 40.800 0.093 0.000 0.954 202 D HN 0.183 nan 8.370 nan 0.000 0.455 203 A N 0.527 123.394 122.820 0.078 0.000 2.019 203 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 203 A C 2.207 179.815 177.584 0.040 0.000 1.164 203 A CA 1.774 53.841 52.037 0.050 0.000 0.644 203 A CB -0.738 18.286 19.000 0.041 0.000 0.805 203 A HN 0.524 nan 8.150 nan 0.000 0.449 204 M N -3.068 116.564 119.600 0.054 0.000 2.495 204 M HA 0.457 4.937 4.480 -0.000 0.000 0.237 204 M C 1.067 177.412 176.300 0.075 0.000 1.131 204 M CA 0.710 56.040 55.300 0.051 0.000 1.032 204 M CB 0.069 32.692 32.600 0.038 0.000 1.513 204 M HN 0.568 nan 8.290 nan 0.000 0.488 205 G N 0.708 109.553 108.800 0.075 0.000 2.147 205 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 205 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 205 G C 0.775 175.723 174.900 0.081 0.000 1.005 205 G CA 0.317 45.455 45.100 0.064 0.000 0.713 205 G HN 0.746 nan 8.290 nan 0.000 0.515 206 A N -0.896 121.989 122.820 0.109 0.000 2.072 206 A HA 0.639 4.958 4.320 -0.000 0.000 0.216 206 A C 1.271 178.756 177.584 -0.165 0.000 1.156 206 A CA 0.787 52.900 52.037 0.126 0.000 0.701 206 A CB 0.120 19.361 19.000 0.401 0.000 0.816 206 A HN 0.647 nan 8.150 nan 0.000 0.458 207 L N -0.096 120.999 121.223 -0.213 0.000 2.360 207 L HA 0.343 4.683 4.340 -0.000 0.000 0.271 207 L C 0.669 177.478 176.870 -0.102 0.000 1.057 207 L CA -0.586 54.066 54.840 -0.312 0.000 0.803 207 L CB 1.577 43.489 42.059 -0.246 0.000 1.207 207 L HN 0.149 nan 8.230 nan 0.000 0.445 208 S N 0.160 115.828 115.700 -0.054 0.000 2.537 208 S HA 0.105 4.575 4.470 -0.000 0.000 0.286 208 S C 0.807 175.417 174.600 0.016 0.000 1.299 208 S CA 0.162 58.391 58.200 0.048 0.000 1.067 208 S CB 0.396 63.665 63.200 0.116 0.000 0.864 208 S HN 0.826 nan 8.310 nan 0.000 0.494 209 T N 1.528 116.084 114.554 0.004 0.000 2.986 209 T HA 0.334 4.684 4.350 -0.000 0.000 0.264 209 T C 0.904 175.529 174.700 -0.125 0.000 0.964 209 T CA -0.406 61.645 62.100 -0.081 0.000 0.895 209 T CB -0.064 68.750 68.868 -0.089 0.000 1.163 209 T HN 0.593 nan 8.240 nan 0.000 0.517 210 K N 0.120 120.432 120.400 -0.147 0.000 2.404 210 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 210 K C -0.247 176.019 176.600 -0.557 0.000 1.023 210 K CA 0.312 56.367 56.287 -0.386 0.000 1.094 210 K CB 0.203 32.376 32.500 -0.545 0.000 0.841 210 K HN 0.426 nan 8.250 nan 0.000 0.523 211 Y N -0.128 120.163 120.300 -0.016 0.000 2.716 211 Y HA 0.198 4.748 4.550 -0.000 0.000 0.260 211 Y C 0.868 176.781 175.900 0.022 0.000 1.141 211 Y CA -0.660 57.444 58.100 0.006 0.000 1.168 211 Y CB 0.121 38.593 38.460 0.020 0.000 1.189 211 Y HN -0.003 nan 8.280 nan 0.000 0.549 212 N N 0.579 119.332 118.700 0.088 0.000 2.289 212 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 212 N C 0.866 176.474 175.510 0.163 0.000 1.016 212 N CA 1.421 54.553 53.050 0.136 0.000 0.872 212 N CB 0.034 38.559 38.487 0.064 0.000 0.973 212 N HN 0.433 nan 8.380 nan 0.000 0.433 213 D N -0.214 120.237 120.400 0.085 0.000 2.317 213 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 213 D C 0.490 176.827 176.300 0.060 0.000 0.966 213 D CA 0.824 54.847 54.000 0.039 0.000 0.876 213 D CB 0.047 40.851 40.800 0.007 0.000 0.927 213 D HN 0.327 nan 8.370 nan 0.000 0.519 214 T N -2.215 112.408 114.554 0.115 0.000 3.410 214 T HA 0.347 4.697 4.350 -0.000 0.000 0.328 214 T C -2.393 172.386 174.700 0.132 0.000 1.567 214 T CA -1.649 60.519 62.100 0.114 0.000 1.626 214 T CB 1.834 70.777 68.868 0.124 0.000 0.939 214 T HN -0.282 nan 8.240 nan 0.000 0.656 215 P HA -0.063 nan 4.420 nan 0.000 0.218 215 P C 1.346 178.705 177.300 0.100 0.000 1.148 215 P CA 0.998 64.188 63.100 0.149 0.000 0.822 215 P CB 0.172 31.984 31.700 0.187 0.000 0.784 216 E N -0.520 119.724 120.200 0.074 0.000 2.409 216 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 216 E C 1.215 177.813 176.600 -0.003 0.000 1.024 216 E CA 0.675 57.098 56.400 0.039 0.000 0.861 216 E CB -0.122 29.598 29.700 0.032 0.000 0.788 216 E HN 0.241 nan 8.360 nan 0.000 0.521 217 K N -0.467 119.921 120.400 -0.020 0.000 2.358 217 K HA 0.205 4.525 4.320 -0.000 0.000 0.197 217 K C 1.488 177.908 176.600 -0.300 0.000 1.025 217 K CA 0.247 56.461 56.287 -0.123 0.000 1.104 217 K CB 0.739 33.186 32.500 -0.088 0.000 0.855 217 K HN 0.009 nan 8.250 nan 0.000 0.531 218 A N 1.133 123.864 122.820 -0.148 0.000 1.898 218 A HA -0.035 4.284 4.320 -0.000 0.000 0.216 218 A C 1.444 178.940 177.584 -0.146 0.000 1.181 218 A CA 0.952 52.904 52.037 -0.142 0.000 0.620 218 A CB -0.140 18.918 19.000 0.096 0.000 0.819 218 A HN 0.165 nan 8.150 nan 0.000 0.442 219 S N 0.539 116.196 115.700 -0.072 0.000 2.439 219 S HA 0.434 4.904 4.470 -0.000 0.000 0.282 219 S C 0.338 174.879 174.600 -0.098 0.000 1.170 219 S CA -0.576 57.594 58.200 -0.050 0.000 1.054 219 S CB -0.079 63.118 63.200 -0.006 0.000 0.956 219 S HN 0.508 nan 8.310 nan 0.000 0.490 220 R N 2.619 123.053 120.500 -0.110 0.000 2.533 220 R HA 0.161 4.501 4.340 -0.000 0.000 0.268 220 R C -0.813 175.419 176.300 -0.114 0.000 1.303 220 R CA -0.615 55.417 56.100 -0.115 0.000 1.429 220 R CB -1.074 29.129 30.300 -0.162 0.000 1.361 220 R HN 0.447 nan 8.270 nan 0.000 0.745 221 T N 2.004 116.445 114.554 -0.189 0.000 2.891 221 T HA -0.064 4.286 4.350 -0.000 0.000 0.296 221 T C -0.018 174.463 174.700 -0.365 0.000 1.025 221 T CA 1.070 62.923 62.100 -0.412 0.000 1.149 221 T CB -0.122 68.377 68.868 -0.614 0.000 1.007 221 T HN 0.525 nan 8.240 nan 0.000 0.528 222 Y N -1.289 119.013 120.300 0.003 0.000 4.779 222 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 222 Y C 0.721 176.619 175.900 -0.003 0.000 0.973 222 Y CA 0.531 58.632 58.100 0.003 0.000 1.792 222 Y CB -2.227 36.234 38.460 0.002 0.000 1.120 222 Y HN 0.780 nan 8.280 nan 0.000 0.450 223 D N 0.677 121.130 120.400 0.088 0.000 2.382 223 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 223 D C 1.303 177.614 176.300 0.017 0.000 1.120 223 D CA 0.788 54.824 54.000 0.060 0.000 0.890 223 D CB 1.283 42.108 40.800 0.042 0.000 1.201 223 D HN 0.288 nan 8.370 nan 0.000 0.433 224 A N 3.111 125.898 122.820 -0.056 0.000 2.076 224 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 224 A C 1.113 178.463 177.584 -0.390 0.000 1.160 224 A CA 1.398 53.287 52.037 -0.246 0.000 0.653 224 A CB -0.569 18.201 19.000 -0.384 0.000 0.801 224 A HN 0.795 nan 8.150 nan 0.000 0.455 225 H N -0.700 118.428 119.070 0.096 0.000 2.486 225 H HA 0.189 4.744 4.556 -0.000 0.000 0.284 225 H C 0.501 175.941 175.328 0.187 0.000 1.103 225 H CA -0.363 55.771 56.048 0.143 0.000 1.089 225 H CB 0.082 29.953 29.762 0.182 0.000 1.603 225 H HN 0.587 nan 8.280 nan 0.000 0.557 226 R N 1.600 122.194 120.500 0.155 0.000 2.698 226 R HA -0.005 4.335 4.340 -0.000 0.000 0.266 226 R C -0.457 175.948 176.300 0.175 0.000 1.026 226 R CA 0.548 56.725 56.100 0.128 0.000 1.102 226 R CB 0.458 30.785 30.300 0.045 0.000 0.978 226 R HN 0.271 nan 8.270 nan 0.000 0.436 227 D N 0.607 121.123 120.400 0.194 0.000 2.785 227 D HA 0.221 4.861 4.640 -0.000 0.000 0.324 227 D C 0.054 176.428 176.300 0.124 0.000 1.523 227 D CA 0.099 54.198 54.000 0.165 0.000 0.789 227 D CB 0.383 41.295 40.800 0.187 0.000 1.171 227 D HN 0.920 nan 8.370 nan 0.000 0.447 228 G N 0.453 109.326 108.800 0.121 0.000 2.392 228 G HA2 0.222 4.182 3.960 -0.000 0.000 0.677 228 G HA3 0.222 4.182 3.960 -0.000 0.000 0.677 228 G C -0.577 174.403 174.900 0.132 0.000 1.334 228 G CA -0.681 44.486 45.100 0.112 0.000 0.961 228 G HN 0.333 nan 8.290 nan 0.000 0.616 229 F N -0.458 119.540 119.950 0.079 0.000 2.378 229 F HA 0.806 5.333 4.527 -0.000 0.000 0.319 229 F C 0.243 176.075 175.800 0.053 0.000 1.155 229 F CA -1.371 56.657 58.000 0.048 0.000 1.157 229 F CB 1.219 40.255 39.000 0.060 0.000 1.252 229 F HN 0.407 nan 8.300 nan 0.000 0.550 230 V N 4.347 124.455 119.914 0.324 0.000 2.357 230 V HA 0.282 4.402 4.120 -0.000 0.000 0.284 230 V C 0.177 176.468 176.094 0.328 0.000 1.018 230 V CA -0.867 61.557 62.300 0.206 0.000 0.841 230 V CB 1.134 33.052 31.823 0.158 0.000 0.991 230 V HN 0.866 nan 8.190 nan 0.000 0.437 231 I N 4.511 125.223 120.570 0.237 0.000 2.696 231 I HA 0.594 4.764 4.170 -0.000 0.000 0.284 231 I C 0.447 176.674 176.117 0.183 0.000 1.129 231 I CA 0.396 61.842 61.300 0.244 0.000 1.410 231 I CB 1.049 39.129 38.000 0.133 0.000 1.399 231 I HN 0.792 nan 8.210 nan 0.000 0.579 232 A N 4.635 127.505 122.820 0.083 0.000 2.593 232 A HA 0.873 5.193 4.320 -0.000 0.000 0.290 232 A C -0.671 176.885 177.584 -0.048 0.000 1.126 232 A CA -0.150 51.893 52.037 0.010 0.000 0.695 232 A CB 1.347 20.358 19.000 0.018 0.000 1.290 232 A HN 0.835 nan 8.150 nan 0.000 0.414 233 G N -1.759 106.972 108.800 -0.115 0.000 2.730 233 G HA2 0.934 4.894 3.960 -0.000 0.000 0.289 233 G HA3 0.934 4.894 3.960 -0.000 0.000 0.289 233 G C -0.055 174.711 174.900 -0.223 0.000 1.341 233 G CA -0.248 44.796 45.100 -0.093 0.000 0.932 233 G HN 2.288 nan 8.290 nan 0.000 0.481 234 G N -2.122 106.526 108.800 -0.252 0.000 2.340 234 G HA2 0.615 4.575 3.960 -0.000 0.000 0.282 234 G HA3 0.615 4.575 3.960 -0.000 0.000 0.282 234 G C -0.368 174.471 174.900 -0.102 0.000 1.312 234 G CA 0.210 45.014 45.100 -0.494 0.000 0.942 234 G HN 1.959 nan 8.290 nan 0.000 0.495 235 G N -1.858 106.892 108.800 -0.083 0.000 2.684 235 G HA2 1.024 4.984 3.960 -0.000 0.000 0.290 235 G HA3 1.024 4.984 3.960 -0.000 0.000 0.290 235 G C -0.346 174.536 174.900 -0.031 0.000 1.425 235 G CA 0.352 45.470 45.100 0.029 0.000 0.822 235 G HN 2.082 nan 8.290 nan 0.000 0.482 236 G N -1.341 107.440 108.800 -0.032 0.000 2.673 236 G HA2 0.681 4.641 3.960 -0.000 0.000 0.292 236 G HA3 0.681 4.641 3.960 -0.000 0.000 0.292 236 G C -1.751 173.110 174.900 -0.065 0.000 1.450 236 G CA -0.636 44.421 45.100 -0.071 0.000 0.837 236 G HN 0.922 nan 8.290 nan 0.000 0.505 237 M N 0.726 120.278 119.600 -0.080 0.000 2.365 237 M HA 0.643 5.123 4.480 -0.000 0.000 0.287 237 M C -0.935 175.320 176.300 -0.075 0.000 1.154 237 M CA -0.727 54.531 55.300 -0.070 0.000 0.941 237 M CB 2.240 34.788 32.600 -0.086 0.000 1.704 237 M HN 1.171 nan 8.290 nan 0.000 0.479 238 V N 1.584 121.459 119.914 -0.065 0.000 2.864 238 V HA 0.915 5.035 4.120 -0.000 0.000 0.314 238 V C -1.131 174.926 176.094 -0.062 0.000 1.073 238 V CA -0.919 61.333 62.300 -0.080 0.000 0.956 238 V CB 1.868 33.619 31.823 -0.120 0.000 1.023 238 V HN 0.603 nan 8.190 nan 0.000 0.435 239 V N 3.492 123.355 119.914 -0.085 0.000 2.334 239 V HA 0.364 4.484 4.120 -0.000 0.000 0.267 239 V C 0.141 176.116 176.094 -0.198 0.000 1.040 239 V CA -0.355 61.816 62.300 -0.216 0.000 0.866 239 V CB 1.035 32.743 31.823 -0.191 0.000 1.019 239 V HN 0.728 nan 8.190 nan 0.000 0.468 240 V N 5.101 124.868 119.914 -0.246 0.000 2.432 240 V HA 0.470 4.590 4.120 -0.000 0.000 0.275 240 V C 0.064 176.032 176.094 -0.211 0.000 1.043 240 V CA -0.261 61.928 62.300 -0.185 0.000 0.925 240 V CB 1.364 33.087 31.823 -0.166 0.000 0.985 240 V HN 0.970 nan 8.190 nan 0.000 0.466 241 E N 2.716 122.829 120.200 -0.146 0.000 2.314 241 E HA 0.313 4.662 4.350 -0.000 0.000 0.272 241 E C -0.832 175.716 176.600 -0.086 0.000 0.884 241 E CA -0.702 55.613 56.400 -0.142 0.000 0.753 241 E CB 1.798 31.442 29.700 -0.094 0.000 1.213 241 E HN 0.706 nan 8.360 nan 0.000 0.432 242 E N 3.808 123.954 120.200 -0.090 0.000 2.384 242 E HA -0.030 4.319 4.350 -0.000 0.000 0.266 242 E C 0.730 177.339 176.600 0.015 0.000 1.012 242 E CA -0.092 56.286 56.400 -0.036 0.000 0.901 242 E CB 1.139 30.816 29.700 -0.039 0.000 0.967 242 E HN 0.620 nan 8.360 nan 0.000 0.435 243 L N 5.435 126.663 121.223 0.008 0.000 2.012 243 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 243 L C 1.895 178.780 176.870 0.024 0.000 1.073 243 L CA 1.923 56.769 54.840 0.010 0.000 0.748 243 L CB -0.378 41.681 42.059 -0.000 0.000 0.891 243 L HN 0.539 nan 8.230 nan 0.000 0.431 244 E N -1.089 119.130 120.200 0.033 0.000 2.110 244 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 244 E C 2.208 178.834 176.600 0.043 0.000 0.988 244 E CA 1.254 57.671 56.400 0.028 0.000 0.804 244 E CB -0.665 29.049 29.700 0.025 0.000 0.745 244 E HN 0.667 nan 8.360 nan 0.000 0.458 245 H N 0.603 119.658 119.070 -0.024 0.000 2.352 245 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 245 H C 1.833 177.145 175.328 -0.027 0.000 1.097 245 H CA 1.749 57.782 56.048 -0.024 0.000 1.311 245 H CB 0.225 29.969 29.762 -0.031 0.000 1.377 245 H HN 0.131 nan 8.280 nan 0.000 0.504 246 A N 1.145 124.032 122.820 0.112 0.000 1.877 246 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 246 A C 2.878 180.451 177.584 -0.017 0.000 1.186 246 A CA 1.200 53.264 52.037 0.046 0.000 0.620 246 A CB -0.877 18.140 19.000 0.028 0.000 0.822 246 A HN 0.407 nan 8.150 nan 0.000 0.443 247 L N -0.737 120.474 121.223 -0.021 0.000 2.046 247 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 247 L C 3.077 179.917 176.870 -0.050 0.000 1.077 247 L CA 1.065 55.885 54.840 -0.033 0.000 0.747 247 L CB -0.550 41.493 42.059 -0.026 0.000 0.896 247 L HN 0.447 nan 8.230 nan 0.000 0.432 248 A N 0.935 123.712 122.820 -0.073 0.000 1.972 248 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 248 A C 2.240 179.761 177.584 -0.105 0.000 1.169 248 A CA 1.717 53.697 52.037 -0.095 0.000 0.635 248 A CB -0.496 18.426 19.000 -0.130 0.000 0.810 248 A HN 0.583 nan 8.150 nan 0.000 0.446 249 R N -1.240 119.186 120.500 -0.123 0.000 2.359 249 R HA 0.349 4.689 4.340 -0.000 0.000 0.231 249 R C 0.930 177.203 176.300 -0.045 0.000 0.913 249 R CA 0.622 56.665 56.100 -0.094 0.000 1.075 249 R CB -0.609 29.621 30.300 -0.116 0.000 1.087 249 R HN 0.718 nan 8.270 nan 0.000 0.515 250 G N 0.984 109.760 108.800 -0.039 0.000 2.246 250 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.273 250 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.273 250 G C 0.320 175.215 174.900 -0.008 0.000 1.055 250 G CA 0.146 45.233 45.100 -0.022 0.000 0.851 250 G HN 0.721 nan 8.290 nan 0.000 0.500 251 A N 0.179 122.993 122.820 -0.010 0.000 2.520 251 A HA 0.442 4.762 4.320 -0.000 0.000 0.235 251 A C 0.705 178.290 177.584 0.002 0.000 1.065 251 A CA 0.284 52.325 52.037 0.007 0.000 0.764 251 A CB 0.173 19.175 19.000 0.004 0.000 1.002 251 A HN 0.920 nan 8.150 nan 0.000 0.502 252 H N 2.127 121.149 119.070 -0.081 0.000 2.723 252 H HA 0.383 4.939 4.556 -0.000 0.000 0.294 252 H C -0.889 174.331 175.328 -0.179 0.000 1.079 252 H CA -0.052 55.903 56.048 -0.156 0.000 1.411 252 H CB 0.276 29.905 29.762 -0.221 0.000 1.439 252 H HN 0.492 nan 8.280 nan 0.000 0.474 253 I N 6.806 127.017 120.570 -0.599 0.000 2.312 253 I HA -0.023 4.147 4.170 -0.000 0.000 0.290 253 I C 0.224 176.041 176.117 -0.499 0.000 1.008 253 I CA -0.511 60.568 61.300 -0.367 0.000 1.226 253 I CB 1.023 38.906 38.000 -0.193 0.000 1.371 253 I HN 0.673 nan 8.210 nan 0.000 0.468 254 Y N 5.167 125.329 120.300 -0.230 0.000 2.184 254 Y HA 0.191 4.740 4.550 -0.000 0.000 0.290 254 Y C 1.261 177.099 175.900 -0.103 0.000 1.129 254 Y CA 0.958 58.977 58.100 -0.135 0.000 1.144 254 Y CB 0.123 38.569 38.460 -0.023 0.000 0.995 254 Y HN 0.658 nan 8.280 nan 0.000 0.513 255 A N -0.730 122.145 122.820 0.092 0.000 2.586 255 A HA 0.380 4.700 4.320 -0.000 0.000 0.291 255 A C -1.468 176.126 177.584 0.016 0.000 1.062 255 A CA -0.843 51.217 52.037 0.038 0.000 0.666 255 A CB 0.767 19.799 19.000 0.052 0.000 1.281 255 A HN 0.086 nan 8.150 nan 0.000 0.421 256 E N 1.067 121.270 120.200 0.004 0.000 2.216 256 E HA 0.471 4.821 4.350 -0.000 0.000 0.279 256 E C -0.762 175.841 176.600 0.005 0.000 0.997 256 E CA -0.682 55.718 56.400 -0.000 0.000 0.817 256 E CB 0.612 30.311 29.700 -0.002 0.000 1.096 256 E HN 0.473 nan 8.360 nan 0.000 0.393 257 I N 6.824 127.393 120.570 -0.002 0.000 2.329 257 I HA -0.020 4.149 4.170 -0.000 0.000 0.295 257 I C 1.178 177.309 176.117 0.024 0.000 1.109 257 I CA 0.170 61.473 61.300 0.005 0.000 1.297 257 I CB 0.360 38.350 38.000 -0.016 0.000 1.433 257 I HN 0.487 nan 8.210 nan 0.000 0.509 258 V N 3.366 123.301 119.914 0.034 0.000 3.650 258 V HA 0.503 4.623 4.120 -0.000 0.000 0.271 258 V C 0.760 176.891 176.094 0.061 0.000 1.281 258 V CA 0.345 62.669 62.300 0.040 0.000 1.120 258 V CB 0.138 31.979 31.823 0.030 0.000 0.856 258 V HN 0.685 nan 8.190 nan 0.000 0.443 259 G N -0.533 108.315 108.800 0.080 0.000 2.746 259 G HA2 0.543 4.503 3.960 -0.000 0.000 0.297 259 G HA3 0.543 4.503 3.960 -0.000 0.000 0.297 259 G C -2.283 172.723 174.900 0.177 0.000 1.426 259 G CA -0.583 44.581 45.100 0.107 0.000 0.989 259 G HN 0.317 nan 8.290 nan 0.000 0.520 260 Y N 1.447 121.762 120.300 0.024 0.000 2.315 260 Y HA 0.660 5.210 4.550 -0.000 0.000 0.324 260 Y C -0.048 175.872 175.900 0.034 0.000 1.062 260 Y CA -1.288 56.825 58.100 0.021 0.000 1.159 260 Y CB 1.542 40.016 38.460 0.023 0.000 1.145 260 Y HN 0.814 nan 8.280 nan 0.000 0.442 261 G N 3.070 111.782 108.800 -0.148 0.000 2.389 261 G HA2 0.743 4.703 3.960 -0.000 0.000 0.328 261 G HA3 0.743 4.703 3.960 -0.000 0.000 0.328 261 G C -1.530 173.159 174.900 -0.352 0.000 1.133 261 G CA -0.498 44.446 45.100 -0.261 0.000 0.891 261 G HN 1.163 nan 8.290 nan 0.000 0.485 262 A N 1.302 123.939 122.820 -0.305 0.000 2.456 262 A HA 0.853 5.172 4.320 -0.000 0.000 0.288 262 A C -0.077 177.496 177.584 -0.019 0.000 1.042 262 A CA -0.014 51.989 52.037 -0.055 0.000 0.738 262 A CB 1.341 20.323 19.000 -0.030 0.000 1.266 262 A HN 1.633 nan 8.150 nan 0.000 0.407 263 T N -1.482 113.104 114.554 0.054 0.000 2.696 263 T HA 0.867 5.217 4.350 -0.000 0.000 0.291 263 T C -0.382 174.338 174.700 0.033 0.000 1.095 263 T CA -0.340 61.765 62.100 0.009 0.000 1.026 263 T CB 1.641 70.495 68.868 -0.023 0.000 1.390 263 T HN 1.617 nan 8.240 nan 0.000 0.513 264 S N -0.977 114.724 115.700 0.001 0.000 2.547 264 S HA 0.468 4.938 4.470 -0.000 0.000 0.281 264 S C -0.264 174.327 174.600 -0.017 0.000 1.118 264 S CA -0.589 57.614 58.200 0.005 0.000 0.947 264 S CB 1.628 64.828 63.200 0.001 0.000 1.053 264 S HN 0.686 nan 8.310 nan 0.000 0.482 265 D N 2.881 123.271 120.400 -0.015 0.000 2.123 265 D HA 0.143 4.783 4.640 -0.000 0.000 0.200 265 D C 1.496 177.784 176.300 -0.020 0.000 0.976 265 D CA 1.550 55.533 54.000 -0.029 0.000 0.831 265 D CB -0.553 40.231 40.800 -0.026 0.000 0.974 265 D HN 1.080 nan 8.370 nan 0.000 0.469 266 G N 0.062 108.857 108.800 -0.009 0.000 2.323 266 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G C 0.633 175.527 174.900 -0.010 0.000 1.040 266 G CA 0.924 46.019 45.100 -0.009 0.000 0.942 266 G HN 0.627 nan 8.290 nan 0.000 0.506 267 A N -1.015 121.800 122.820 -0.008 0.000 1.742 267 A HA 0.656 4.976 4.320 -0.000 0.000 0.167 267 A C 0.198 177.777 177.584 -0.007 0.000 1.913 267 A CA 0.944 52.975 52.037 -0.009 0.000 1.331 267 A CB 0.495 19.487 19.000 -0.013 0.000 0.968 267 A HN 0.324 nan 8.150 nan 0.000 0.739 268 D N -0.582 119.815 120.400 -0.005 0.000 2.252 268 D HA 0.518 5.158 4.640 -0.000 0.000 0.245 268 D C 0.888 177.180 176.300 -0.012 0.000 1.009 268 D CA -0.592 53.402 54.000 -0.010 0.000 0.870 268 D CB 1.164 41.958 40.800 -0.009 0.000 1.251 268 D HN 0.054 nan 8.370 nan 0.000 0.460 269 M N 1.090 120.669 119.600 -0.035 0.000 2.159 269 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 269 M C 1.458 177.685 176.300 -0.120 0.000 1.063 269 M CA 1.440 56.707 55.300 -0.055 0.000 1.110 269 M CB -0.324 32.231 32.600 -0.075 0.000 1.374 269 M HN 0.480 nan 8.290 nan 0.000 0.411 270 V N -4.366 115.441 119.914 -0.178 0.000 3.539 270 V HA 0.499 4.619 4.120 -0.000 0.000 0.262 270 V C 0.880 176.940 176.094 -0.056 0.000 1.381 270 V CA -0.019 62.062 62.300 -0.365 0.000 1.060 270 V CB -0.791 30.645 31.823 -0.645 0.000 0.842 270 V HN 0.151 nan 8.190 nan 0.000 0.445 271 A N 2.953 125.775 122.820 0.002 0.000 2.306 271 A HA 0.819 5.138 4.320 -0.000 0.000 0.314 271 A C -2.525 175.102 177.584 0.073 0.000 1.164 271 A CA -1.677 50.402 52.037 0.069 0.000 0.822 271 A CB 0.184 19.210 19.000 0.043 0.000 1.130 271 A HN 0.334 nan 8.150 nan 0.000 0.496 272 P HA 0.126 nan 4.420 nan 0.000 0.275 272 P C 0.692 177.987 177.300 -0.007 0.000 1.227 272 P CA -0.053 63.065 63.100 0.030 0.000 0.781 272 P CB 1.453 33.171 31.700 0.031 0.000 0.906 273 S N 1.691 117.364 115.700 -0.045 0.000 2.446 273 S HA 0.111 4.581 4.470 -0.000 0.000 0.225 273 S C 1.627 176.192 174.600 -0.059 0.000 1.016 273 S CA 1.075 59.249 58.200 -0.044 0.000 0.943 273 S CB -1.115 62.058 63.200 -0.046 0.000 0.786 273 S HN 0.724 nan 8.310 nan 0.000 0.508 274 G N 1.873 110.609 108.800 -0.106 0.000 3.206 274 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.217 274 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.217 274 G C 0.931 175.759 174.900 -0.120 0.000 1.350 274 G CA 0.554 45.589 45.100 -0.108 0.000 0.836 274 G HN 0.459 nan 8.290 nan 0.000 0.548 275 E N 1.869 122.017 120.200 -0.086 0.000 2.097 275 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 275 E C 2.628 179.167 176.600 -0.102 0.000 1.000 275 E CA 2.515 58.868 56.400 -0.078 0.000 0.804 275 E CB -0.991 28.675 29.700 -0.056 0.000 0.740 275 E HN 0.688 nan 8.360 nan 0.000 0.454 276 G N 0.613 109.339 108.800 -0.124 0.000 2.418 276 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 276 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 276 G C 1.733 176.514 174.900 -0.197 0.000 1.158 276 G CA 1.367 46.386 45.100 -0.135 0.000 0.771 276 G HN 0.438 nan 8.290 nan 0.000 0.545 277 A N 0.139 122.754 122.820 -0.341 0.000 1.898 277 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 277 A C 2.601 180.079 177.584 -0.177 0.000 1.181 277 A CA 1.736 53.474 52.037 -0.498 0.000 0.620 277 A CB -0.594 17.907 19.000 -0.833 0.000 0.819 277 A HN 0.243 nan 8.150 nan 0.000 0.442 278 V N 0.076 119.913 119.914 -0.129 0.000 2.295 278 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 278 V C 2.644 178.698 176.094 -0.068 0.000 1.049 278 V CA 2.298 64.554 62.300 -0.074 0.000 1.024 278 V CB -0.814 30.970 31.823 -0.066 0.000 0.648 278 V HN 0.524 nan 8.190 nan 0.000 0.447 279 R N -1.072 119.384 120.500 -0.073 0.000 2.096 279 R HA -0.194 4.145 4.340 -0.000 0.000 0.235 279 R C 2.413 178.682 176.300 -0.051 0.000 1.127 279 R CA 1.726 57.788 56.100 -0.064 0.000 0.968 279 R CB -0.868 29.393 30.300 -0.065 0.000 0.861 279 R HN 0.575 nan 8.270 nan 0.000 0.440 280 C N 0.688 119.967 119.300 -0.035 0.000 2.432 280 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 280 C C 2.619 177.629 174.990 0.033 0.000 1.249 280 C CA 0.818 59.842 59.018 0.011 0.000 1.725 280 C CB -0.670 27.122 27.740 0.086 0.000 2.028 280 C HN 0.457 nan 8.230 nan 0.000 0.477 281 M N 0.144 119.776 119.600 0.053 0.000 2.117 281 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 281 M C 2.301 178.581 176.300 -0.033 0.000 1.065 281 M CA 1.832 57.156 55.300 0.040 0.000 1.114 281 M CB -0.475 32.158 32.600 0.054 0.000 1.361 281 M HN 0.369 nan 8.290 nan 0.000 0.408 282 K N 0.015 120.378 120.400 -0.062 0.000 2.057 282 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 282 K C 1.996 178.588 176.600 -0.014 0.000 1.049 282 K CA 1.433 57.682 56.287 -0.064 0.000 0.931 282 K CB -0.248 32.213 32.500 -0.065 0.000 0.714 282 K HN 0.355 nan 8.250 nan 0.000 0.440 283 M N 0.526 120.109 119.600 -0.028 0.000 2.117 283 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 283 M C 2.053 178.357 176.300 0.006 0.000 1.065 283 M CA 1.775 57.054 55.300 -0.035 0.000 1.114 283 M CB -0.088 32.463 32.600 -0.083 0.000 1.361 283 M HN 0.169 nan 8.290 nan 0.000 0.408 284 A N -0.168 122.657 122.820 0.009 0.000 2.067 284 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 284 A C 1.850 179.467 177.584 0.055 0.000 1.158 284 A CA 1.276 53.338 52.037 0.041 0.000 0.661 284 A CB -0.535 18.500 19.000 0.058 0.000 0.801 284 A HN 0.647 nan 8.150 nan 0.000 0.452 285 M N -1.640 117.983 119.600 0.039 0.000 2.465 285 M HA 0.103 4.582 4.480 -0.000 0.000 0.249 285 M C 0.488 176.808 176.300 0.033 0.000 1.130 285 M CA -0.097 55.218 55.300 0.024 0.000 1.067 285 M CB 0.057 32.637 32.600 -0.033 0.000 1.394 285 M HN 0.482 nan 8.290 nan 0.000 0.483 286 H N 0.432 119.486 119.070 -0.027 0.000 3.107 286 H HA 0.180 4.736 4.556 -0.000 0.000 0.301 286 H C 1.218 176.539 175.328 -0.010 0.000 0.981 286 H CA 1.648 57.682 56.048 -0.024 0.000 1.443 286 H CB 0.276 30.021 29.762 -0.027 0.000 1.479 286 H HN 0.474 nan 8.280 nan 0.000 0.564 287 G N 3.261 111.834 108.800 -0.379 0.000 2.189 287 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 287 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 287 G C 0.075 174.924 174.900 -0.085 0.000 0.975 287 G CA 0.394 45.366 45.100 -0.213 0.000 0.644 287 G HN 0.652 nan 8.290 nan 0.000 0.537 288 V N 2.407 122.289 119.914 -0.053 0.000 2.427 288 V HA 0.353 4.473 4.120 -0.000 0.000 0.268 288 V C 1.003 177.084 176.094 -0.021 0.000 1.046 288 V CA 0.464 62.755 62.300 -0.015 0.000 0.970 288 V CB 1.369 33.200 31.823 0.013 0.000 1.001 288 V HN 0.489 nan 8.190 nan 0.000 0.476 289 D N 2.496 122.887 120.400 -0.015 0.000 2.395 289 D HA 0.047 4.687 4.640 -0.000 0.000 0.226 289 D C 0.515 176.816 176.300 0.001 0.000 1.146 289 D CA -0.085 53.906 54.000 -0.016 0.000 0.830 289 D CB 0.137 40.925 40.800 -0.020 0.000 0.958 289 D HN 0.581 nan 8.370 nan 0.000 0.501 290 T N -2.826 111.736 114.554 0.014 0.000 2.906 290 T HA 0.614 4.964 4.350 -0.000 0.000 0.295 290 T C -2.910 171.818 174.700 0.045 0.000 1.061 290 T CA -1.722 60.393 62.100 0.025 0.000 1.000 290 T CB 2.251 71.134 68.868 0.024 0.000 1.103 290 T HN -0.184 nan 8.240 nan 0.000 0.486 291 P HA 0.354 nan 4.420 nan 0.000 0.274 291 P C -0.461 176.891 177.300 0.088 0.000 1.237 291 P CA -0.704 62.446 63.100 0.084 0.000 0.793 291 P CB 0.508 32.247 31.700 0.065 0.000 0.977 292 I N 2.777 123.426 120.570 0.131 0.000 2.436 292 I HA 0.015 4.185 4.170 -0.000 0.000 0.289 292 I C 1.247 177.363 176.117 -0.003 0.000 1.083 292 I CA 0.409 61.756 61.300 0.078 0.000 1.372 292 I CB -0.074 37.996 38.000 0.117 0.000 1.408 292 I HN 0.312 nan 8.210 nan 0.000 0.516 293 D N 5.110 125.525 120.400 0.024 0.000 2.305 293 D HA -0.051 4.589 4.640 -0.000 0.000 0.206 293 D C -0.079 176.268 176.300 0.078 0.000 0.974 293 D CA 1.106 55.126 54.000 0.034 0.000 0.871 293 D CB 0.502 41.332 40.800 0.051 0.000 0.947 293 D HN 0.522 nan 8.370 nan 0.000 0.516 294 Y N 0.397 120.650 120.300 -0.079 0.000 2.436 294 Y HA 0.420 4.970 4.550 -0.000 0.000 0.327 294 Y C -2.162 173.689 175.900 -0.081 0.000 1.138 294 Y CA -1.068 56.978 58.100 -0.090 0.000 1.042 294 Y CB 1.079 39.486 38.460 -0.088 0.000 1.302 294 Y HN -0.235 nan 8.280 nan 0.000 0.439 295 L N 7.268 127.900 121.223 -0.984 0.000 2.349 295 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 295 L C -1.107 175.146 176.870 -1.029 0.000 0.996 295 L CA -0.545 53.833 54.840 -0.769 0.000 0.825 295 L CB 0.989 42.807 42.059 -0.402 0.000 1.243 295 L HN 0.814 nan 8.230 nan 0.000 0.412 296 N N 3.590 121.847 118.700 -0.739 0.000 2.437 296 N HA 0.146 4.885 4.740 -0.000 0.000 0.243 296 N C -0.487 174.918 175.510 -0.175 0.000 1.041 296 N CA -0.241 52.609 53.050 -0.333 0.000 0.940 296 N CB 1.087 39.551 38.487 -0.038 0.000 1.133 296 N HN 0.723 nan 8.380 nan 0.000 0.506 297 S N 2.657 118.299 115.700 -0.096 0.000 2.614 297 S HA 0.033 4.503 4.470 -0.000 0.000 0.265 297 S C 1.331 175.887 174.600 -0.074 0.000 1.303 297 S CA -0.319 57.859 58.200 -0.038 0.000 1.000 297 S CB 1.318 64.584 63.200 0.110 0.000 0.935 297 S HN 0.747 nan 8.310 nan 0.000 0.551 298 H N 2.229 121.171 119.070 -0.213 0.000 2.293 298 H HA 0.091 4.647 4.556 -0.000 0.000 0.300 298 H C 1.533 176.732 175.328 -0.215 0.000 1.082 298 H CA 1.691 57.574 56.048 -0.276 0.000 1.308 298 H CB -1.110 28.450 29.762 -0.337 0.000 1.375 298 H HN 1.131 nan 8.280 nan 0.000 0.495 299 G N 0.551 109.219 108.800 -0.221 0.000 2.101 299 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.247 299 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.247 299 G C 0.955 175.591 174.900 -0.440 0.000 0.740 299 G CA 0.983 45.893 45.100 -0.316 0.000 1.130 299 G HN 0.842 nan 8.290 nan 0.000 0.342 300 T N -1.803 112.481 114.554 -0.450 0.000 3.100 300 T HA 0.417 4.766 4.350 -0.000 0.000 0.253 300 T C 1.290 175.921 174.700 -0.116 0.000 1.118 300 T CA 1.035 62.907 62.100 -0.380 0.000 1.058 300 T CB 0.336 68.941 68.868 -0.438 0.000 0.953 300 T HN 1.807 nan 8.240 nan 0.000 0.515 301 S N 0.785 116.404 115.700 -0.136 0.000 3.777 301 S HA -0.120 4.350 4.470 -0.000 0.000 0.296 301 S C 0.168 174.794 174.600 0.043 0.000 1.173 301 S CA 0.526 58.688 58.200 -0.064 0.000 0.824 301 S CB -2.079 61.101 63.200 -0.033 0.000 0.932 301 S HN 1.257 nan 8.310 nan 0.000 0.571 302 T N -0.936 113.654 114.554 0.061 0.000 2.823 302 T HA 0.692 5.042 4.350 -0.000 0.000 0.279 302 T C -1.445 173.314 174.700 0.098 0.000 0.998 302 T CA -1.727 60.450 62.100 0.128 0.000 0.994 302 T CB 1.777 70.769 68.868 0.206 0.000 0.960 302 T HN -0.070 nan 8.240 nan 0.000 0.448 303 P HA -0.155 nan 4.420 nan 0.000 0.214 303 P C 1.699 179.054 177.300 0.092 0.000 1.169 303 P CA 0.788 63.940 63.100 0.085 0.000 0.908 303 P CB -0.038 31.711 31.700 0.082 0.000 0.791 304 V N -0.483 119.494 119.914 0.105 0.000 2.283 304 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 304 V C 2.613 178.782 176.094 0.125 0.000 1.039 304 V CA 2.437 64.800 62.300 0.104 0.000 1.016 304 V CB -1.932 29.950 31.823 0.099 0.000 0.650 304 V HN 0.181 nan 8.190 nan 0.000 0.449 305 G N -0.101 108.793 108.800 0.156 0.000 2.446 305 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 305 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 305 G C 1.205 176.215 174.900 0.184 0.000 1.168 305 G CA 1.207 46.422 45.100 0.193 0.000 0.771 305 G HN 0.496 nan 8.290 nan 0.000 0.551 306 D N 0.089 120.569 120.400 0.134 0.000 2.104 306 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 306 D C 2.898 179.345 176.300 0.246 0.000 0.994 306 D CA 1.840 55.922 54.000 0.137 0.000 0.830 306 D CB -0.494 40.325 40.800 0.031 0.000 0.959 306 D HN 0.382 nan 8.370 nan 0.000 0.452 307 V N -1.383 118.642 119.914 0.186 0.000 2.878 307 V HA 0.044 4.163 4.120 -0.000 0.000 0.250 307 V C 2.138 178.308 176.094 0.127 0.000 1.075 307 V CA 0.829 63.225 62.300 0.159 0.000 1.096 307 V CB -0.388 31.505 31.823 0.117 0.000 0.724 307 V HN -0.111 nan 8.190 nan 0.000 0.467 308 K N 1.635 122.108 120.400 0.121 0.000 2.032 308 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 308 K C 2.229 178.891 176.600 0.104 0.000 1.048 308 K CA 2.335 58.678 56.287 0.092 0.000 0.927 308 K CB -0.566 31.984 32.500 0.083 0.000 0.712 308 K HN 0.724 nan 8.250 nan 0.000 0.441 309 E N -0.176 120.130 120.200 0.175 0.000 2.106 309 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 309 E C 1.917 178.632 176.600 0.192 0.000 0.984 309 E CA 1.041 57.581 56.400 0.233 0.000 0.806 309 E CB -0.064 29.863 29.700 0.378 0.000 0.750 309 E HN 0.319 nan 8.360 nan 0.000 0.458 310 L N 0.343 121.669 121.223 0.171 0.000 2.093 310 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 310 L C 2.699 179.616 176.870 0.080 0.000 1.085 310 L CA 0.943 55.846 54.840 0.104 0.000 0.755 310 L CB -0.528 41.566 42.059 0.058 0.000 0.904 310 L HN 0.228 nan 8.230 nan 0.000 0.435 311 A N 0.198 123.062 122.820 0.074 0.000 1.933 311 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 311 A C 2.531 180.147 177.584 0.054 0.000 1.175 311 A CA 1.762 53.830 52.037 0.053 0.000 0.628 311 A CB -0.600 18.425 19.000 0.041 0.000 0.814 311 A HN 0.409 nan 8.150 nan 0.000 0.444 312 A N -0.191 122.664 122.820 0.059 0.000 1.898 312 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 312 A C 2.106 179.750 177.584 0.100 0.000 1.181 312 A CA 1.454 53.519 52.037 0.047 0.000 0.620 312 A CB -0.567 18.439 19.000 0.011 0.000 0.819 312 A HN 0.490 nan 8.150 nan 0.000 0.442 313 I N -0.764 119.903 120.570 0.161 0.000 2.226 313 I HA -0.279 3.890 4.170 -0.000 0.000 0.245 313 I C 2.760 179.044 176.117 0.279 0.000 1.100 313 I CA 1.345 62.811 61.300 0.276 0.000 1.374 313 I CB -0.291 37.830 38.000 0.201 0.000 1.057 313 I HN 0.290 nan 8.210 nan 0.000 0.413 314 R N 0.317 120.905 120.500 0.148 0.000 2.081 314 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 314 R C 2.220 178.578 176.300 0.097 0.000 1.131 314 R CA 1.681 57.849 56.100 0.114 0.000 0.960 314 R CB -0.379 29.957 30.300 0.060 0.000 0.856 314 R HN 0.446 nan 8.270 nan 0.000 0.436 315 E N 0.560 120.798 120.200 0.063 0.000 2.106 315 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 315 E C 1.854 178.446 176.600 -0.013 0.000 0.984 315 E CA 1.049 57.461 56.400 0.020 0.000 0.806 315 E CB 0.226 29.927 29.700 0.002 0.000 0.750 315 E HN 0.088 nan 8.360 nan 0.000 0.458 316 V N 0.086 119.980 119.914 -0.034 0.000 2.358 316 V HA -0.184 3.935 4.120 -0.000 0.000 0.246 316 V C 1.659 177.560 176.094 -0.322 0.000 1.047 316 V CA 1.578 63.740 62.300 -0.230 0.000 1.035 316 V CB -0.398 31.192 31.823 -0.387 0.000 0.658 316 V HN 0.292 nan 8.190 nan 0.000 0.452 317 F N -0.203 119.749 119.950 0.003 0.000 2.749 317 F HA 0.473 4.999 4.527 -0.000 0.000 0.300 317 F C 1.836 177.634 175.800 -0.002 0.000 1.103 317 F CA 0.555 58.555 58.000 -0.001 0.000 1.342 317 F CB -0.391 38.606 39.000 -0.004 0.000 1.098 317 F HN 0.258 nan 8.300 nan 0.000 0.586 318 G N 1.238 110.118 108.800 0.132 0.000 2.629 318 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.313 318 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.313 318 G C 0.714 175.665 174.900 0.084 0.000 1.217 318 G CA 0.661 45.808 45.100 0.079 0.000 0.994 318 G HN 0.417 nan 8.290 nan 0.000 0.549 319 D N 0.022 120.461 120.400 0.064 0.000 2.427 319 D HA 0.515 5.155 4.640 -0.000 0.000 0.224 319 D C 0.784 177.114 176.300 0.050 0.000 1.157 319 D CA 1.230 55.258 54.000 0.047 0.000 0.828 319 D CB -0.177 40.641 40.800 0.030 0.000 0.974 319 D HN 0.650 nan 8.370 nan 0.000 0.498 320 K N 0.522 120.972 120.400 0.083 0.000 3.146 320 K HA 0.426 4.746 4.320 -0.000 0.000 0.168 320 K C -0.041 176.599 176.600 0.066 0.000 1.075 320 K CA -0.319 56.011 56.287 0.072 0.000 0.843 320 K CB 0.125 32.679 32.500 0.090 0.000 1.002 320 K HN 0.575 nan 8.250 nan 0.000 0.597 321 S N 1.321 117.012 115.700 -0.014 0.000 2.584 321 S HA 0.549 5.019 4.470 -0.000 0.000 0.273 321 S C -1.657 172.765 174.600 -0.298 0.000 1.311 321 S CA -1.003 57.079 58.200 -0.196 0.000 1.034 321 S CB 0.445 63.569 63.200 -0.126 0.000 0.939 321 S HN 0.382 nan 8.310 nan 0.000 0.513 322 P HA 0.385 nan 4.420 nan 0.000 0.278 322 P C -0.471 176.693 177.300 -0.227 0.000 1.258 322 P CA -0.610 62.272 63.100 -0.364 0.000 0.811 322 P CB 0.442 31.836 31.700 -0.510 0.000 1.063 323 A N 1.583 124.339 122.820 -0.107 0.000 2.540 323 A HA 0.309 4.629 4.320 -0.000 0.000 0.239 323 A C 0.263 177.819 177.584 -0.047 0.000 1.061 323 A CA 0.311 52.336 52.037 -0.020 0.000 0.758 323 A CB -0.854 18.199 19.000 0.087 0.000 0.991 323 A HN 0.480 nan 8.150 nan 0.000 0.502 324 I N 1.524 122.074 120.570 -0.032 0.000 2.647 324 I HA 0.510 4.679 4.170 -0.000 0.000 0.295 324 I C 0.091 176.261 176.117 0.089 0.000 1.078 324 I CA -0.169 61.079 61.300 -0.086 0.000 1.048 324 I CB 2.571 40.488 38.000 -0.139 0.000 1.239 324 I HN 0.789 nan 8.210 nan 0.000 0.421 325 S N 3.739 119.537 115.700 0.164 0.000 2.556 325 S HA 0.867 5.337 4.470 -0.000 0.000 0.271 325 S C -0.988 173.725 174.600 0.188 0.000 1.135 325 S CA -0.824 57.513 58.200 0.229 0.000 0.858 325 S CB 2.066 65.420 63.200 0.256 0.000 1.114 325 S HN 0.761 nan 8.310 nan 0.000 0.468 326 A N 1.868 124.793 122.820 0.176 0.000 2.322 326 A HA 0.582 4.902 4.320 -0.000 0.000 0.327 326 A C 1.100 178.687 177.584 0.006 0.000 1.394 326 A CA -0.239 51.826 52.037 0.047 0.000 0.921 326 A CB -0.274 18.668 19.000 -0.097 0.000 1.153 326 A HN 1.268 nan 8.150 nan 0.000 0.523 327 T N -0.175 114.391 114.554 0.021 0.000 3.072 327 T HA -0.081 4.268 4.350 -0.000 0.000 0.266 327 T C 1.344 176.012 174.700 -0.054 0.000 1.127 327 T CA 1.144 63.231 62.100 -0.022 0.000 1.107 327 T CB -0.308 68.549 68.868 -0.019 0.000 0.910 327 T HN 0.627 nan 8.240 nan 0.000 0.513 328 K N 1.243 121.601 120.400 -0.070 0.000 2.280 328 K HA 0.116 4.436 4.320 -0.000 0.000 0.202 328 K C 2.638 179.195 176.600 -0.072 0.000 1.047 328 K CA 0.958 57.192 56.287 -0.088 0.000 0.942 328 K CB -0.382 32.008 32.500 -0.184 0.000 0.739 328 K HN 0.491 nan 8.250 nan 0.000 0.457 329 A N 1.084 123.856 122.820 -0.081 0.000 1.972 329 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 329 A C 2.037 179.593 177.584 -0.047 0.000 1.169 329 A CA 1.409 53.407 52.037 -0.065 0.000 0.635 329 A CB -0.309 18.654 19.000 -0.061 0.000 0.810 329 A HN 0.197 nan 8.150 nan 0.000 0.446 330 M N -1.023 118.544 119.600 -0.056 0.000 2.216 330 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 330 M C 2.298 178.570 176.300 -0.047 0.000 1.080 330 M CA 1.803 57.067 55.300 -0.060 0.000 1.153 330 M CB -0.191 32.347 32.600 -0.102 0.000 1.356 330 M HN 0.612 nan 8.290 nan 0.000 0.432 331 T N -2.646 111.879 114.554 -0.049 0.000 3.037 331 T HA 0.430 4.780 4.350 -0.000 0.000 0.251 331 T C 1.060 175.774 174.700 0.024 0.000 1.079 331 T CA 0.330 62.419 62.100 -0.018 0.000 1.067 331 T CB -0.103 68.774 68.868 0.014 0.000 0.948 331 T HN 0.552 nan 8.240 nan 0.000 0.496 332 G N 1.314 110.133 108.800 0.032 0.000 2.796 332 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.226 332 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.226 332 G C -0.802 174.146 174.900 0.080 0.000 1.381 332 G CA -0.262 44.886 45.100 0.081 0.000 0.867 332 G HN 0.842 nan 8.290 nan 0.000 0.552 333 H N 0.614 119.664 119.070 -0.034 0.000 2.641 333 H HA 0.601 5.157 4.556 -0.000 0.000 0.295 333 H C 1.518 176.749 175.328 -0.162 0.000 1.070 333 H CA -0.126 55.804 56.048 -0.197 0.000 1.257 333 H CB 0.640 30.086 29.762 -0.526 0.000 1.393 333 H HN 0.832 nan 8.280 nan 0.000 0.464 334 S N 4.764 120.532 115.700 0.113 0.000 2.660 334 S HA 0.153 4.622 4.470 -0.000 0.000 0.227 334 S C 1.252 175.799 174.600 -0.088 0.000 0.948 334 S CA -0.027 58.161 58.200 -0.020 0.000 0.948 334 S CB -0.526 62.667 63.200 -0.011 0.000 0.779 334 S HN 0.728 nan 8.310 nan 0.000 0.487 335 L N -0.165 120.912 121.223 -0.244 0.000 5.323 335 L HA -0.346 3.994 4.340 -0.000 0.000 0.053 335 L C 2.254 179.083 176.870 -0.068 0.000 3.097 335 L CA 1.442 56.069 54.840 -0.356 0.000 1.447 335 L CB -2.023 39.811 42.059 -0.375 0.000 2.992 335 L HN 0.433 nan 8.230 nan 0.000 0.968 336 G N -1.098 107.681 108.800 -0.035 0.000 2.462 336 G HA2 0.002 3.962 3.960 -0.000 0.000 0.220 336 G HA3 0.002 3.962 3.960 -0.000 0.000 0.220 336 G C 1.289 176.194 174.900 0.010 0.000 1.121 336 G CA 1.373 46.482 45.100 0.015 0.000 0.758 336 G HN 0.861 nan 8.290 nan 0.000 0.559 337 A N 0.439 123.258 122.820 -0.002 0.000 2.169 337 A HA 0.603 4.923 4.320 -0.000 0.000 0.212 337 A C 2.595 180.150 177.584 -0.048 0.000 1.153 337 A CA 1.367 53.393 52.037 -0.019 0.000 0.756 337 A CB -0.263 18.726 19.000 -0.017 0.000 0.813 337 A HN 0.552 nan 8.150 nan 0.000 0.471 338 A N 0.025 122.833 122.820 -0.020 0.000 1.902 338 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 338 A C 2.337 179.862 177.584 -0.099 0.000 1.181 338 A CA 1.834 53.850 52.037 -0.036 0.000 0.623 338 A CB -1.261 17.759 19.000 0.034 0.000 0.818 338 A HN 0.646 nan 8.150 nan 0.000 0.443 339 G N -0.868 107.882 108.800 -0.083 0.000 2.446 339 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 339 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 339 G C 1.652 176.463 174.900 -0.149 0.000 1.168 339 G CA 1.332 46.363 45.100 -0.115 0.000 0.771 339 G HN 0.587 nan 8.290 nan 0.000 0.551 340 V N 0.093 119.922 119.914 -0.141 0.000 2.488 340 V HA -0.090 4.029 4.120 -0.000 0.000 0.246 340 V C 2.715 178.653 176.094 -0.260 0.000 1.046 340 V CA 2.360 64.560 62.300 -0.167 0.000 1.053 340 V CB -0.237 31.512 31.823 -0.123 0.000 0.679 340 V HN 0.503 nan 8.190 nan 0.000 0.458 341 Q N -0.339 119.275 119.800 -0.310 0.000 2.084 341 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 341 Q C 2.146 177.554 176.000 -0.987 0.000 0.978 341 Q CA 2.234 57.690 55.803 -0.579 0.000 0.844 341 Q CB -0.133 28.337 28.738 -0.447 0.000 0.898 341 Q HN 0.725 nan 8.270 nan 0.000 0.426 342 E N 0.314 120.173 120.200 -0.567 0.000 2.158 342 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 342 E C 1.928 178.396 176.600 -0.220 0.000 0.982 342 E CA 0.633 56.821 56.400 -0.353 0.000 0.823 342 E CB -0.031 29.600 29.700 -0.115 0.000 0.766 342 E HN 0.329 nan 8.360 nan 0.000 0.468 343 A N 1.271 123.960 122.820 -0.220 0.000 1.902 343 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 343 A C 2.163 179.647 177.584 -0.166 0.000 1.181 343 A CA 1.110 53.055 52.037 -0.154 0.000 0.623 343 A CB -0.584 18.326 19.000 -0.150 0.000 0.818 343 A HN 0.142 nan 8.150 nan 0.000 0.443 344 I N -1.471 118.942 120.570 -0.262 0.000 2.179 344 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 344 I C 2.391 178.459 176.117 -0.081 0.000 1.088 344 I CA 1.401 62.565 61.300 -0.227 0.000 1.357 344 I CB -0.502 37.339 38.000 -0.266 0.000 1.051 344 I HN 0.396 nan 8.210 nan 0.000 0.409 345 Y N 0.787 121.063 120.300 -0.039 0.000 2.165 345 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 345 Y C 2.946 178.823 175.900 -0.039 0.000 1.155 345 Y CA 0.933 59.020 58.100 -0.020 0.000 1.164 345 Y CB -1.464 36.990 38.460 -0.010 0.000 0.978 345 Y HN 0.107 nan 8.280 nan 0.000 0.513 346 S N 0.178 115.955 115.700 0.128 0.000 2.368 346 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 346 S C 2.187 176.807 174.600 0.033 0.000 1.030 346 S CA 1.241 59.506 58.200 0.108 0.000 0.999 346 S CB -0.691 62.581 63.200 0.121 0.000 0.844 346 S HN 0.351 nan 8.310 nan 0.000 0.459 347 L N 0.996 122.221 121.223 0.003 0.000 2.083 347 L HA -0.093 4.246 4.340 -0.000 0.000 0.209 347 L C 2.228 179.141 176.870 0.073 0.000 1.083 347 L CA 0.991 55.829 54.840 -0.005 0.000 0.752 347 L CB -0.552 41.422 42.059 -0.141 0.000 0.899 347 L HN 0.286 nan 8.230 nan 0.000 0.433 348 L N -1.175 120.113 121.223 0.108 0.000 2.093 348 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 348 L C 2.649 179.682 176.870 0.273 0.000 1.085 348 L CA 1.255 56.272 54.840 0.294 0.000 0.755 348 L CB -0.344 41.889 42.059 0.291 0.000 0.904 348 L HN 0.311 nan 8.230 nan 0.000 0.435 349 M N -0.886 118.657 119.600 -0.094 0.000 2.117 349 M HA -0.239 4.241 4.480 -0.000 0.000 0.262 349 M C 2.310 178.502 176.300 -0.180 0.000 1.065 349 M CA 1.615 56.600 55.300 -0.524 0.000 1.114 349 M CB -0.343 31.788 32.600 -0.781 0.000 1.361 349 M HN 0.217 nan 8.290 nan 0.000 0.408 350 L N 0.567 121.759 121.223 -0.053 0.000 2.056 350 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 350 L C 2.230 179.128 176.870 0.047 0.000 1.078 350 L CA 2.017 56.862 54.840 0.009 0.000 0.749 350 L CB -0.572 41.510 42.059 0.039 0.000 0.901 350 L HN 0.227 nan 8.230 nan 0.000 0.433 351 E N -1.582 118.674 120.200 0.094 0.000 2.107 351 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 351 E C 1.803 178.305 176.600 -0.164 0.000 0.982 351 E CA 1.363 57.766 56.400 0.005 0.000 0.809 351 E CB -0.065 29.696 29.700 0.101 0.000 0.756 351 E HN 0.631 nan 8.360 nan 0.000 0.459 352 H N -1.460 117.731 119.070 0.202 0.000 2.622 352 H HA 0.281 4.837 4.556 -0.000 0.000 0.269 352 H C 0.583 176.059 175.328 0.247 0.000 0.977 352 H CA 0.575 56.761 56.048 0.230 0.000 1.179 352 H CB 0.939 30.879 29.762 0.297 0.000 1.458 352 H HN 0.262 nan 8.280 nan 0.000 0.531 353 G N 2.015 110.964 108.800 0.249 0.000 2.353 353 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.294 353 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.294 353 G C -0.298 174.746 174.900 0.239 0.000 1.077 353 G CA 0.582 45.775 45.100 0.155 0.000 1.098 353 G HN 0.455 nan 8.290 nan 0.000 0.511 354 F N -1.762 118.173 119.950 -0.026 0.000 2.686 354 F HA 0.846 5.373 4.527 -0.000 0.000 0.311 354 F C -0.818 174.882 175.800 -0.166 0.000 1.128 354 F CA -2.822 55.137 58.000 -0.069 0.000 0.946 354 F CB 1.107 40.079 39.000 -0.047 0.000 1.336 354 F HN 0.060 nan 8.300 nan 0.000 0.457 355 I N 2.574 122.978 120.570 -0.275 0.000 2.362 355 I HA 0.637 4.807 4.170 -0.000 0.000 0.289 355 I C 0.099 176.087 176.117 -0.215 0.000 0.994 355 I CA -1.041 59.948 61.300 -0.519 0.000 1.158 355 I CB 1.638 39.446 38.000 -0.321 0.000 1.315 355 I HN 0.967 nan 8.210 nan 0.000 0.451 356 A N 9.023 131.642 122.820 -0.334 0.000 2.425 356 A HA 0.539 4.859 4.320 -0.000 0.000 0.249 356 A C -2.371 175.218 177.584 0.008 0.000 1.084 356 A CA -1.114 50.925 52.037 0.004 0.000 0.781 356 A CB -0.286 18.701 19.000 -0.022 0.000 1.019 356 A HN 0.419 nan 8.150 nan 0.000 0.490 357 P HA 0.142 nan 4.420 nan 0.000 0.278 357 P C -0.331 176.998 177.300 0.048 0.000 1.238 357 P CA -0.253 62.873 63.100 0.043 0.000 0.794 357 P CB 1.137 32.857 31.700 0.034 0.000 0.955 358 S N 2.329 118.072 115.700 0.073 0.000 2.411 358 S HA 0.325 4.795 4.470 -0.000 0.000 0.304 358 S C 0.664 175.299 174.600 0.059 0.000 1.098 358 S CA -0.684 57.569 58.200 0.088 0.000 1.068 358 S CB -1.371 61.930 63.200 0.168 0.000 1.032 358 S HN 0.319 nan 8.310 nan 0.000 0.511 359 I N 2.048 122.632 120.570 0.024 0.000 2.970 359 I HA 0.518 4.688 4.170 -0.000 0.000 0.310 359 I C 0.397 176.514 176.117 -0.000 0.000 1.010 359 I CA -0.673 60.632 61.300 0.008 0.000 1.228 359 I CB 0.417 38.412 38.000 -0.008 0.000 1.433 359 I HN 0.489 nan 8.210 nan 0.000 0.573 360 N N 1.048 119.743 118.700 -0.007 0.000 2.782 360 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 360 N C -0.555 174.953 175.510 -0.003 0.000 1.101 360 N CA 0.959 53.995 53.050 -0.024 0.000 0.764 360 N CB -1.574 36.873 38.487 -0.068 0.000 1.122 360 N HN 0.632 nan 8.380 nan 0.000 0.561 361 I N 1.291 121.878 120.570 0.028 0.000 2.256 361 I HA 0.051 4.221 4.170 -0.000 0.000 0.294 361 I C 1.500 177.646 176.117 0.049 0.000 1.127 361 I CA -0.046 61.286 61.300 0.052 0.000 1.247 361 I CB 0.372 38.420 38.000 0.081 0.000 1.460 361 I HN 0.031 nan 8.210 nan 0.000 0.511 362 E N 3.822 124.056 120.200 0.057 0.000 2.122 362 E HA -0.031 4.319 4.350 -0.000 0.000 0.190 362 E C 0.570 177.218 176.600 0.080 0.000 0.977 362 E CA 0.680 57.120 56.400 0.066 0.000 0.820 362 E CB 0.441 30.187 29.700 0.077 0.000 0.770 362 E HN 0.547 nan 8.360 nan 0.000 0.462 363 E N 1.049 121.306 120.200 0.095 0.000 2.283 363 E HA 0.164 4.514 4.350 -0.000 0.000 0.258 363 E C -1.457 175.175 176.600 0.053 0.000 0.893 363 E CA -0.604 55.843 56.400 0.078 0.000 0.798 363 E CB 1.170 30.936 29.700 0.109 0.000 1.242 363 E HN -0.078 nan 8.360 nan 0.000 0.414 364 L N 4.306 125.556 121.223 0.044 0.000 2.455 364 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 364 L C 0.255 177.142 176.870 0.029 0.000 1.174 364 L CA 0.498 55.365 54.840 0.044 0.000 0.869 364 L CB 0.685 42.759 42.059 0.024 0.000 1.130 364 L HN 0.591 nan 8.230 nan 0.000 0.474 365 D N 3.212 123.640 120.400 0.046 0.000 2.472 365 D HA -0.096 4.544 4.640 -0.000 0.000 0.237 365 D C 0.947 177.258 176.300 0.018 0.000 1.141 365 D CA 0.555 54.573 54.000 0.030 0.000 0.875 365 D CB 0.934 41.778 40.800 0.073 0.000 1.192 365 D HN 0.812 nan 8.370 nan 0.000 0.450 366 E N 2.127 122.333 120.200 0.009 0.000 2.160 366 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 366 E C 1.215 177.820 176.600 0.008 0.000 0.991 366 E CA 1.077 57.481 56.400 0.007 0.000 0.810 366 E CB -0.149 29.555 29.700 0.007 0.000 0.742 366 E HN 0.546 nan 8.360 nan 0.000 0.466 367 Q N -0.053 119.757 119.800 0.018 0.000 2.482 367 Q HA 0.111 4.451 4.340 -0.000 0.000 0.209 367 Q C 1.463 177.463 176.000 0.001 0.000 0.961 367 Q CA 0.679 56.493 55.803 0.019 0.000 0.945 367 Q CB 0.334 29.095 28.738 0.038 0.000 1.012 367 Q HN 0.455 nan 8.270 nan 0.000 0.515 368 A N 0.409 123.218 122.820 -0.018 0.000 2.308 368 A HA 0.421 4.741 4.320 -0.000 0.000 0.217 368 A C 0.848 178.382 177.584 -0.083 0.000 1.216 368 A CA -0.057 51.926 52.037 -0.089 0.000 0.864 368 A CB 0.212 19.125 19.000 -0.144 0.000 0.902 368 A HN 0.247 nan 8.150 nan 0.000 0.499 369 A N -0.929 121.866 122.820 -0.042 0.000 2.462 369 A HA 0.462 4.782 4.320 -0.000 0.000 0.243 369 A C 1.567 179.128 177.584 -0.037 0.000 1.076 369 A CA 0.589 52.606 52.037 -0.034 0.000 0.773 369 A CB -0.450 18.541 19.000 -0.016 0.000 1.010 369 A HN 1.891 nan 8.150 nan 0.000 0.493 370 G N 0.471 109.249 108.800 -0.036 0.000 2.176 370 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.253 370 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.253 370 G C -0.017 174.856 174.900 -0.045 0.000 0.979 370 G CA 0.427 45.508 45.100 -0.031 0.000 0.641 370 G HN 0.786 nan 8.290 nan 0.000 0.530 371 L N 0.063 121.244 121.223 -0.069 0.000 2.334 371 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 371 L C 0.389 177.202 176.870 -0.094 0.000 1.020 371 L CA -1.146 53.638 54.840 -0.094 0.000 0.812 371 L CB 1.526 43.502 42.059 -0.138 0.000 1.264 371 L HN 0.075 nan 8.230 nan 0.000 0.439 372 N N 2.956 121.602 118.700 -0.090 0.000 3.124 372 N HA 0.214 4.954 4.740 -0.000 0.000 0.284 372 N C -0.603 174.864 175.510 -0.071 0.000 1.209 372 N CA -0.119 52.891 53.050 -0.066 0.000 1.149 372 N CB -0.274 38.184 38.487 -0.049 0.000 1.434 372 N HN 0.402 nan 8.380 nan 0.000 0.529 373 I N 2.131 122.646 120.570 -0.092 0.000 2.363 373 I HA 0.071 4.241 4.170 -0.000 0.000 0.292 373 I C 0.090 176.201 176.117 -0.011 0.000 1.075 373 I CA -0.667 60.584 61.300 -0.083 0.000 1.333 373 I CB 0.691 38.589 38.000 -0.169 0.000 1.415 373 I HN -0.040 nan 8.210 nan 0.000 0.502 374 V N 6.301 126.233 119.914 0.030 0.000 2.455 374 V HA 0.061 4.181 4.120 -0.000 0.000 0.273 374 V C 1.253 177.376 176.094 0.048 0.000 1.045 374 V CA 0.175 62.498 62.300 0.040 0.000 0.976 374 V CB 1.067 32.923 31.823 0.054 0.000 0.993 374 V HN 0.919 nan 8.190 nan 0.000 0.475 375 T N 0.544 115.119 114.554 0.035 0.000 3.044 375 T HA 0.259 4.609 4.350 -0.000 0.000 0.260 375 T C 0.222 174.939 174.700 0.029 0.000 1.019 375 T CA -0.208 61.914 62.100 0.037 0.000 0.921 375 T CB -0.015 68.873 68.868 0.033 0.000 1.053 375 T HN 0.782 nan 8.240 nan 0.000 0.533 376 E N 0.822 121.038 120.200 0.027 0.000 2.293 376 E HA 0.497 4.847 4.350 -0.000 0.000 0.270 376 E C -1.314 175.306 176.600 0.033 0.000 0.879 376 E CA -1.051 55.363 56.400 0.023 0.000 0.756 376 E CB 1.179 30.889 29.700 0.016 0.000 1.208 376 E HN -0.103 nan 8.360 nan 0.000 0.428 377 T N 2.294 116.871 114.554 0.038 0.000 2.905 377 T HA 0.106 4.456 4.350 -0.000 0.000 0.299 377 T C -0.384 174.355 174.700 0.064 0.000 1.024 377 T CA 0.329 62.472 62.100 0.071 0.000 1.151 377 T CB 0.285 69.180 68.868 0.045 0.000 0.987 377 T HN 0.458 nan 8.240 nan 0.000 0.535 378 T N 3.891 118.501 114.554 0.093 0.000 2.890 378 T HA 0.220 4.570 4.350 -0.000 0.000 0.295 378 T C -0.585 174.173 174.700 0.096 0.000 0.993 378 T CA -0.886 61.252 62.100 0.064 0.000 0.979 378 T CB 1.086 69.973 68.868 0.031 0.000 0.967 378 T HN 0.455 nan 8.240 nan 0.000 0.441 379 D N 3.013 123.461 120.400 0.080 0.000 2.383 379 D HA 0.314 4.954 4.640 -0.000 0.000 0.252 379 D C 0.354 176.691 176.300 0.061 0.000 1.166 379 D CA 0.262 54.319 54.000 0.094 0.000 0.879 379 D CB 0.906 41.742 40.800 0.061 0.000 1.164 379 D HN 0.380 nan 8.370 nan 0.000 0.462 380 R N 1.558 122.094 120.500 0.060 0.000 2.561 380 R HA 0.085 4.425 4.340 -0.000 0.000 0.266 380 R C -1.063 175.252 176.300 0.026 0.000 1.091 380 R CA -0.582 55.534 56.100 0.028 0.000 0.927 380 R CB 1.395 31.698 30.300 0.005 0.000 1.240 380 R HN 0.289 nan 8.270 nan 0.000 0.449 381 E N 5.646 125.860 120.200 0.022 0.000 1.791 381 E HA 0.114 4.464 4.350 -0.000 0.000 0.263 381 E C -0.503 176.104 176.600 0.013 0.000 1.213 381 E CA -0.180 56.232 56.400 0.020 0.000 0.991 381 E CB 0.265 29.976 29.700 0.018 0.000 1.068 381 E HN 0.376 nan 8.360 nan 0.000 0.417 382 L N 2.871 124.098 121.223 0.007 0.000 2.436 382 L HA 0.163 4.503 4.340 -0.000 0.000 0.265 382 L C 1.196 178.075 176.870 0.016 0.000 1.168 382 L CA -0.187 54.659 54.840 0.009 0.000 0.815 382 L CB 1.173 43.228 42.059 -0.006 0.000 1.109 382 L HN 0.452 nan 8.230 nan 0.000 0.462 383 T N -1.391 113.177 114.554 0.024 0.000 3.058 383 T HA 0.090 4.440 4.350 -0.000 0.000 0.247 383 T C 0.286 175.005 174.700 0.030 0.000 0.987 383 T CA 0.302 62.416 62.100 0.022 0.000 1.062 383 T CB 0.621 69.500 68.868 0.018 0.000 1.048 383 T HN 0.619 nan 8.240 nan 0.000 0.468 384 T N 2.720 117.298 114.554 0.041 0.000 2.879 384 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 384 T C -0.898 173.840 174.700 0.064 0.000 0.993 384 T CA -0.718 61.411 62.100 0.048 0.000 0.975 384 T CB 2.146 71.043 68.868 0.048 0.000 0.981 384 T HN 0.217 nan 8.240 nan 0.000 0.439 385 V N 1.062 121.016 119.914 0.066 0.000 2.914 385 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 385 V C -0.725 175.390 176.094 0.035 0.000 1.084 385 V CA -1.230 61.118 62.300 0.080 0.000 0.963 385 V CB 2.166 34.082 31.823 0.155 0.000 1.025 385 V HN 0.988 nan 8.190 nan 0.000 0.432 386 M N 3.077 122.663 119.600 -0.024 0.000 2.464 386 M HA 0.762 5.242 4.480 -0.000 0.000 0.308 386 M C -0.987 175.258 176.300 -0.091 0.000 1.127 386 M CA -0.272 55.014 55.300 -0.024 0.000 0.913 386 M CB 2.166 34.782 32.600 0.027 0.000 1.689 386 M HN 0.996 nan 8.290 nan 0.000 0.445 387 S N 3.275 118.933 115.700 -0.070 0.000 2.594 387 S HA 0.586 5.056 4.470 -0.000 0.000 0.296 387 S C -1.458 173.053 174.600 -0.149 0.000 1.124 387 S CA -0.776 57.358 58.200 -0.111 0.000 1.011 387 S CB 1.007 64.156 63.200 -0.085 0.000 1.016 387 S HN 0.850 nan 8.310 nan 0.000 0.485 388 N N 2.121 120.677 118.700 -0.239 0.000 2.443 388 N HA 0.560 5.300 4.740 -0.000 0.000 0.295 388 N C -1.334 173.808 175.510 -0.613 0.000 1.076 388 N CA -0.394 52.354 53.050 -0.504 0.000 0.919 388 N CB 1.850 39.908 38.487 -0.716 0.000 1.176 388 N HN 0.494 nan 8.380 nan 0.000 0.487 389 S N 1.600 116.838 115.700 -0.770 0.000 2.776 389 S HA 0.497 4.967 4.470 -0.000 0.000 0.284 389 S C -1.328 172.929 174.600 -0.572 0.000 1.160 389 S CA -0.587 57.294 58.200 -0.532 0.000 1.051 389 S CB 0.283 63.331 63.200 -0.253 0.000 1.037 389 S HN 0.280 nan 8.310 nan 0.000 0.485 390 F N 1.923 121.457 119.950 -0.693 0.000 2.430 390 F HA 0.588 5.115 4.527 -0.000 0.000 0.362 390 F C 0.821 176.369 175.800 -0.420 0.000 1.103 390 F CA -1.116 56.560 58.000 -0.541 0.000 1.045 390 F CB 1.133 39.835 39.000 -0.496 0.000 1.276 390 F HN 0.625 nan 8.300 nan 0.000 0.444 391 G N 1.871 110.720 108.800 0.081 0.000 2.451 391 G HA2 0.446 4.406 3.960 -0.000 0.000 0.303 391 G HA3 0.446 4.406 3.960 -0.000 0.000 0.303 391 G C -0.279 174.810 174.900 0.314 0.000 1.166 391 G CA -0.661 44.531 45.100 0.154 0.000 0.884 391 G HN 0.426 nan 8.290 nan 0.000 0.514 392 F N -0.016 120.041 119.950 0.178 0.000 2.646 392 F HA 0.185 4.712 4.527 -0.000 0.000 0.363 392 F C 1.718 177.588 175.800 0.116 0.000 1.143 392 F CA 1.194 59.289 58.000 0.159 0.000 1.356 392 F CB 0.701 39.812 39.000 0.185 0.000 1.055 392 F HN 0.818 nan 8.300 nan 0.000 0.606 393 G N 1.360 110.313 108.800 0.256 0.000 2.157 393 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.248 393 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.248 393 G C 0.653 175.621 174.900 0.113 0.000 0.979 393 G CA 0.100 45.287 45.100 0.145 0.000 0.650 393 G HN 1.799 nan 8.290 nan 0.000 0.529 394 G N -1.174 107.702 108.800 0.127 0.000 2.246 394 G HA2 0.092 4.052 3.960 -0.000 0.000 0.273 394 G HA3 0.092 4.052 3.960 -0.000 0.000 0.273 394 G C 0.338 175.290 174.900 0.086 0.000 1.055 394 G CA 1.390 46.538 45.100 0.080 0.000 0.851 394 G HN 2.002 nan 8.290 nan 0.000 0.500 395 T N 0.237 114.875 114.554 0.140 0.000 2.771 395 T HA 0.591 4.941 4.350 -0.000 0.000 0.281 395 T C -0.188 174.658 174.700 0.244 0.000 0.982 395 T CA -0.675 61.534 62.100 0.181 0.000 0.978 395 T CB 0.431 69.418 68.868 0.199 0.000 0.930 395 T HN 0.281 nan 8.240 nan 0.000 0.447 396 N N 3.017 121.873 118.700 0.261 0.000 2.284 396 N HA 0.705 5.445 4.740 -0.000 0.000 0.300 396 N C -1.197 174.455 175.510 0.237 0.000 1.047 396 N CA -0.554 52.683 53.050 0.312 0.000 0.821 396 N CB 2.078 40.672 38.487 0.178 0.000 1.337 396 N HN 0.767 nan 8.380 nan 0.000 0.482 397 A N 0.902 123.775 122.820 0.090 0.000 2.449 397 A HA 0.813 5.133 4.320 -0.000 0.000 0.302 397 A C -0.740 176.835 177.584 -0.015 0.000 1.048 397 A CA -0.484 51.511 52.037 -0.071 0.000 0.708 397 A CB 1.386 20.101 19.000 -0.475 0.000 1.274 397 A HN 0.444 nan 8.150 nan 0.000 0.410 398 T N 1.985 116.573 114.554 0.057 0.000 2.916 398 T HA 0.591 4.941 4.350 -0.000 0.000 0.298 398 T C -0.912 173.848 174.700 0.100 0.000 1.031 398 T CA -0.242 61.882 62.100 0.041 0.000 0.993 398 T CB 0.945 69.866 68.868 0.088 0.000 1.045 398 T HN 0.499 nan 8.240 nan 0.000 0.454 399 L N 2.616 123.867 121.223 0.046 0.000 2.346 399 L HA 0.786 5.126 4.340 -0.000 0.000 0.276 399 L C -0.775 176.120 176.870 0.041 0.000 1.006 399 L CA -1.131 53.745 54.840 0.060 0.000 0.817 399 L CB 1.994 44.051 42.059 -0.004 0.000 1.272 399 L HN 0.333 nan 8.230 nan 0.000 0.421 400 V N 3.816 123.764 119.914 0.057 0.000 2.448 400 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 400 V C -0.168 175.948 176.094 0.037 0.000 1.025 400 V CA -0.378 61.952 62.300 0.049 0.000 0.859 400 V CB 1.818 33.678 31.823 0.062 0.000 0.988 400 V HN 0.712 nan 8.190 nan 0.000 0.431 401 M N 5.071 124.690 119.600 0.031 0.000 2.395 401 M HA 0.669 5.148 4.480 -0.000 0.000 0.307 401 M C -0.598 175.721 176.300 0.031 0.000 1.091 401 M CA -0.399 54.916 55.300 0.025 0.000 0.919 401 M CB 2.652 35.261 32.600 0.014 0.000 1.662 401 M HN 0.572 nan 8.290 nan 0.000 0.440 402 R N 1.413 121.928 120.500 0.025 0.000 2.673 402 R HA 0.482 4.822 4.340 -0.000 0.000 0.281 402 R C -1.132 175.177 176.300 0.014 0.000 0.991 402 R CA -0.811 55.302 56.100 0.023 0.000 0.896 402 R CB 2.039 32.351 30.300 0.021 0.000 1.201 402 R HN 0.643 nan 8.270 nan 0.000 0.457 403 K N 2.195 122.602 120.400 0.011 0.000 2.469 403 K HA -0.018 4.302 4.320 -0.000 0.000 0.274 403 K C 0.075 176.667 176.600 -0.012 0.000 0.983 403 K CA -0.038 56.247 56.287 -0.004 0.000 0.974 403 K CB 0.411 32.907 32.500 -0.006 0.000 0.913 403 K HN 0.250 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.206 121.223 -0.028 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 404 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502