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 1mt5_1_C DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.585 177.584 0.002 0.000 1.274 37 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 37 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 38 R N 0.724 121.224 120.500 0.000 0.000 2.276 38 R HA 0.323 4.661 4.340 -0.003 0.000 0.203 38 R C 2.101 178.532 176.300 0.219 0.000 1.017 38 R CA 1.791 57.939 56.100 0.079 0.000 1.010 38 R CB -1.494 28.802 30.300 -0.006 0.000 0.900 38 R HN 1.194 nan 8.270 nan 0.000 0.469 39 G N -0.113 108.788 108.800 0.168 0.000 2.509 39 G HA2 0.158 4.117 3.960 -0.003 0.000 0.218 39 G HA3 0.158 4.117 3.960 -0.003 0.000 0.218 39 G C 1.258 176.195 174.900 0.061 0.000 1.124 39 G CA 0.544 45.730 45.100 0.142 0.000 0.776 39 G HN 0.814 nan 8.290 nan 0.000 0.547 40 A N 0.616 123.459 122.820 0.038 0.000 3.033 40 A HA 0.668 4.987 4.320 -0.003 0.000 0.250 40 A C 1.810 179.382 177.584 -0.021 0.000 1.633 40 A CA 0.695 52.735 52.037 0.005 0.000 1.290 40 A CB -0.424 18.577 19.000 0.001 0.000 1.048 40 A HN 0.468 nan 8.150 nan 0.000 0.648 41 A N -0.215 122.590 122.820 -0.025 0.000 2.132 41 A HA 0.078 4.396 4.320 -0.003 0.000 0.213 41 A C 2.168 179.686 177.584 -0.110 0.000 1.154 41 A CA 1.497 53.473 52.037 -0.102 0.000 0.753 41 A CB -0.543 18.398 19.000 -0.098 0.000 0.826 41 A HN 0.702 nan 8.150 nan 0.000 0.469 42 T N -2.643 111.878 114.554 -0.055 0.000 2.951 42 T HA -0.050 4.298 4.350 -0.003 0.000 0.268 42 T C 1.907 176.594 174.700 -0.023 0.000 1.073 42 T CA 0.889 62.968 62.100 -0.035 0.000 1.134 42 T CB -0.283 68.576 68.868 -0.015 0.000 0.884 42 T HN 0.408 nan 8.240 nan 0.000 0.479 43 R N 0.892 121.377 120.500 -0.025 0.000 2.120 43 R HA 0.046 4.384 4.340 -0.003 0.000 0.234 43 R C 2.732 179.022 176.300 -0.017 0.000 1.123 43 R CA 1.318 57.410 56.100 -0.012 0.000 0.975 43 R CB -0.551 29.741 30.300 -0.012 0.000 0.866 43 R HN 0.555 nan 8.270 nan 0.000 0.446 44 A N 0.408 123.170 122.820 -0.096 0.000 1.897 44 A HA -0.129 4.189 4.320 -0.003 0.000 0.215 44 A C 2.100 179.679 177.584 -0.008 0.000 1.181 44 A CA 0.975 52.907 52.037 -0.174 0.000 0.620 44 A CB -0.336 18.284 19.000 -0.634 0.000 0.821 44 A HN 0.205 nan 8.150 nan 0.000 0.443 45 R N -0.230 120.253 120.500 -0.027 0.000 2.081 45 R HA -0.208 4.131 4.340 -0.003 0.000 0.235 45 R C 2.506 178.865 176.300 0.098 0.000 1.131 45 R CA 1.895 58.034 56.100 0.066 0.000 0.960 45 R CB -0.214 30.095 30.300 0.015 0.000 0.856 45 R HN 0.789 nan 8.270 nan 0.000 0.436 46 Q N 0.129 119.970 119.800 0.069 0.000 2.167 46 Q HA -0.114 4.224 4.340 -0.003 0.000 0.202 46 Q C 1.650 177.711 176.000 0.102 0.000 0.970 46 Q CA 1.416 57.264 55.803 0.074 0.000 0.855 46 Q CB -0.179 28.590 28.738 0.052 0.000 0.911 46 Q HN 0.105 nan 8.270 nan 0.000 0.438 47 K N 0.240 120.713 120.400 0.122 0.000 2.097 47 K HA -0.172 4.146 4.320 -0.003 0.000 0.205 47 K C 2.281 178.997 176.600 0.193 0.000 1.050 47 K CA 1.417 57.796 56.287 0.153 0.000 0.938 47 K CB -0.036 32.564 32.500 0.167 0.000 0.718 47 K HN 0.438 nan 8.250 nan 0.000 0.442 48 Q N 0.314 120.263 119.800 0.249 0.000 2.030 48 Q HA -0.242 4.096 4.340 -0.003 0.000 0.204 48 Q C 2.320 178.405 176.000 0.142 0.000 0.986 48 Q CA 2.321 58.252 55.803 0.214 0.000 0.843 48 Q CB -0.065 28.852 28.738 0.298 0.000 0.904 48 Q HN 0.272 nan 8.270 nan 0.000 0.420 49 R N 0.126 120.704 120.500 0.130 0.000 2.096 49 R HA 0.001 4.339 4.340 -0.003 0.000 0.235 49 R C 2.094 178.466 176.300 0.120 0.000 1.127 49 R CA 1.653 57.818 56.100 0.108 0.000 0.968 49 R CB -1.416 28.937 30.300 0.089 0.000 0.861 49 R HN 0.515 nan 8.270 nan 0.000 0.440 50 A N -0.599 122.293 122.820 0.120 0.000 2.067 50 A HA 0.063 4.381 4.320 -0.003 0.000 0.217 50 A C 2.454 180.123 177.584 0.141 0.000 1.156 50 A CA 1.534 53.642 52.037 0.117 0.000 0.683 50 A CB -0.231 18.831 19.000 0.104 0.000 0.808 50 A HN 0.476 nan 8.150 nan 0.000 0.455 51 S N -0.779 115.021 115.700 0.166 0.000 2.425 51 S HA 0.025 4.493 4.470 -0.003 0.000 0.225 51 S C 1.687 176.386 174.600 0.165 0.000 1.024 51 S CA 0.624 58.953 58.200 0.214 0.000 0.951 51 S CB -0.259 63.091 63.200 0.251 0.000 0.796 51 S HN 0.396 nan 8.310 nan 0.000 0.498 52 L N 2.160 123.480 121.223 0.161 0.000 2.131 52 L HA -0.039 4.299 4.340 -0.003 0.000 0.210 52 L C 2.784 179.811 176.870 0.261 0.000 1.092 52 L CA 2.189 57.163 54.840 0.223 0.000 0.759 52 L CB -0.946 41.222 42.059 0.182 0.000 0.903 52 L HN 0.447 nan 8.230 nan 0.000 0.435 53 E N -1.506 118.794 120.200 0.167 0.000 2.112 53 E HA -0.143 4.206 4.350 -0.003 0.000 0.190 53 E C 2.138 178.758 176.600 0.032 0.000 0.979 53 E CA 1.447 57.910 56.400 0.106 0.000 0.814 53 E CB -1.232 28.525 29.700 0.094 0.000 0.762 53 E HN 0.522 nan 8.360 nan 0.000 0.460 54 T N 0.383 114.966 114.554 0.048 0.000 2.788 54 T HA -0.087 4.262 4.350 -0.003 0.000 0.268 54 T C 2.189 176.804 174.700 -0.141 0.000 1.044 54 T CA 1.489 63.605 62.100 0.026 0.000 1.139 54 T CB -0.267 68.698 68.868 0.163 0.000 0.867 54 T HN 0.380 nan 8.240 nan 0.000 0.454 55 M N 0.910 120.353 119.600 -0.260 0.000 2.067 55 M HA -0.127 4.351 4.480 -0.003 0.000 0.260 55 M C 2.276 178.387 176.300 -0.316 0.000 1.069 55 M CA 1.731 56.797 55.300 -0.391 0.000 1.117 55 M CB -0.281 32.220 32.600 -0.165 0.000 1.334 55 M HN 0.096 nan 8.290 nan 0.000 0.407 56 D N 0.319 120.498 120.400 -0.368 0.000 2.117 56 D HA -0.111 4.527 4.640 -0.003 0.000 0.198 56 D C 2.092 178.161 176.300 -0.385 0.000 0.982 56 D CA 2.090 55.693 54.000 -0.662 0.000 0.828 56 D CB 0.108 40.467 40.800 -0.736 0.000 0.967 56 D HN 0.219 nan 8.370 nan 0.000 0.464 57 K N 0.286 120.558 120.400 -0.214 0.000 2.211 57 K HA 0.176 4.494 4.320 -0.003 0.000 0.203 57 K C 2.145 178.674 176.600 -0.118 0.000 1.050 57 K CA 1.446 57.651 56.287 -0.136 0.000 0.945 57 K CB -0.884 31.575 32.500 -0.068 0.000 0.732 57 K HN 0.293 nan 8.250 nan 0.000 0.451 58 A N 0.886 123.645 122.820 -0.101 0.000 1.930 58 A HA 0.099 4.417 4.320 -0.003 0.000 0.215 58 A C 2.532 180.007 177.584 -0.183 0.000 1.176 58 A CA 1.685 53.690 52.037 -0.053 0.000 0.632 58 A CB -0.486 18.618 19.000 0.173 0.000 0.819 58 A HN 0.938 nan 8.150 nan 0.000 0.445 59 V N -2.447 117.384 119.914 -0.137 0.000 3.041 59 V HA -0.134 3.984 4.120 -0.003 0.000 0.260 59 V C 1.730 177.758 176.094 -0.110 0.000 1.105 59 V CA 2.120 64.355 62.300 -0.109 0.000 1.125 59 V CB -0.671 31.093 31.823 -0.098 0.000 0.730 59 V HN 0.584 nan 8.190 nan 0.000 0.479 60 Q N 0.338 120.038 119.800 -0.166 0.000 2.376 60 Q HA 0.180 4.519 4.340 -0.003 0.000 0.206 60 Q C 2.506 178.431 176.000 -0.125 0.000 0.921 60 Q CA 1.050 56.765 55.803 -0.147 0.000 0.911 60 Q CB -0.030 28.603 28.738 -0.174 0.000 1.032 60 Q HN 0.758 nan 8.270 nan 0.000 0.510 61 R N 0.002 120.425 120.500 -0.129 0.000 2.307 61 R HA -0.040 4.298 4.340 -0.003 0.000 0.199 61 R C 1.302 177.525 176.300 -0.128 0.000 1.000 61 R CA 0.791 56.821 56.100 -0.118 0.000 1.023 61 R CB -0.889 29.351 30.300 -0.100 0.000 0.908 61 R HN 0.318 nan 8.270 nan 0.000 0.473 62 F N 0.294 120.039 119.950 -0.341 0.000 2.383 62 F HA 0.168 4.693 4.527 -0.003 0.000 0.287 62 F C 2.820 178.500 175.800 -0.200 0.000 1.069 62 F CA 1.227 59.016 58.000 -0.351 0.000 1.402 62 F CB 0.040 38.675 39.000 -0.609 0.000 1.116 62 F HN 0.264 nan 8.300 nan 0.000 0.549 63 R N 1.092 121.504 120.500 -0.147 0.000 2.115 63 R HA 0.039 4.377 4.340 -0.003 0.000 0.230 63 R C 2.187 178.362 176.300 -0.208 0.000 1.111 63 R CA 1.656 57.647 56.100 -0.183 0.000 0.976 63 R CB -2.222 28.034 30.300 -0.072 0.000 0.870 63 R HN 0.449 nan 8.270 nan 0.000 0.445 64 L N -0.598 120.518 121.223 -0.179 0.000 2.093 64 L HA 0.108 4.446 4.340 -0.003 0.000 0.208 64 L C 2.796 179.557 176.870 -0.181 0.000 1.085 64 L CA 2.690 57.439 54.840 -0.152 0.000 0.755 64 L CB -1.850 40.139 42.059 -0.117 0.000 0.904 64 L HN 0.701 nan 8.230 nan 0.000 0.435 65 Q N -1.106 118.549 119.800 -0.241 0.000 2.403 65 Q HA 0.157 4.495 4.340 -0.003 0.000 0.203 65 Q C 0.940 176.742 176.000 -0.330 0.000 0.932 65 Q CA 0.897 56.553 55.803 -0.244 0.000 0.945 65 Q CB -0.448 28.166 28.738 -0.207 0.000 1.045 65 Q HN 0.890 nan 8.270 nan 0.000 0.511 66 N N -0.076 118.358 118.700 -0.442 0.000 2.732 66 N HA 0.224 4.962 4.740 -0.003 0.000 0.235 66 N C -2.536 172.789 175.510 -0.308 0.000 1.466 66 N CA -0.738 52.042 53.050 -0.450 0.000 0.751 66 N CB 1.991 39.979 38.487 -0.831 0.000 1.317 66 N HN 0.155 nan 8.380 nan 0.000 0.525 67 P HA 0.192 nan 4.420 nan 0.000 0.261 67 P C 0.480 177.727 177.300 -0.088 0.000 1.268 67 P CA 0.447 63.470 63.100 -0.128 0.000 0.833 67 P CB 0.221 31.857 31.700 -0.106 0.000 1.231 68 D N 0.059 120.408 120.400 -0.086 0.000 2.305 68 D HA 0.218 4.856 4.640 -0.003 0.000 0.206 68 D C 1.253 177.531 176.300 -0.037 0.000 0.974 68 D CA 0.490 54.458 54.000 -0.054 0.000 0.871 68 D CB -0.604 40.167 40.800 -0.048 0.000 0.947 68 D HN 0.267 nan 8.370 nan 0.000 0.516 69 L N 1.141 122.340 121.223 -0.039 0.000 2.455 69 L HA 0.512 4.851 4.340 -0.003 0.000 0.272 69 L C 0.423 177.293 176.870 -0.000 0.000 1.174 69 L CA -0.156 54.682 54.840 -0.003 0.000 0.869 69 L CB 0.273 42.352 42.059 0.033 0.000 1.130 69 L HN 0.237 nan 8.230 nan 0.000 0.474 70 D N 1.994 122.396 120.400 0.004 0.000 2.402 70 D HA 0.280 4.918 4.640 -0.003 0.000 0.235 70 D C 1.442 177.739 176.300 -0.004 0.000 1.226 70 D CA 0.598 54.596 54.000 -0.003 0.000 0.918 70 D CB 0.861 41.659 40.800 -0.004 0.000 1.043 70 D HN 0.664 nan 8.370 nan 0.000 0.506 71 S N 2.652 118.346 115.700 -0.010 0.000 2.382 71 S HA -0.170 4.298 4.470 -0.003 0.000 0.228 71 S C 1.836 176.398 174.600 -0.063 0.000 1.027 71 S CA 1.252 59.434 58.200 -0.029 0.000 0.991 71 S CB -0.361 62.825 63.200 -0.023 0.000 0.823 71 S HN 0.615 nan 8.310 nan 0.000 0.469 72 E N 0.477 120.649 120.200 -0.047 0.000 2.476 72 E HA 0.610 4.958 4.350 -0.003 0.000 0.191 72 E C 1.446 178.021 176.600 -0.041 0.000 1.064 72 E CA 0.594 56.963 56.400 -0.053 0.000 0.866 72 E CB -0.677 28.999 29.700 -0.040 0.000 0.952 72 E HN 0.717 nan 8.360 nan 0.000 0.492 73 A N -0.588 122.213 122.820 -0.032 0.000 2.259 73 A HA 0.380 4.698 4.320 -0.003 0.000 0.213 73 A C 1.917 179.491 177.584 -0.016 0.000 1.209 73 A CA 0.255 52.281 52.037 -0.017 0.000 0.910 73 A CB 0.231 19.228 19.000 -0.005 0.000 0.946 73 A HN 0.385 nan 8.150 nan 0.000 0.497 74 L N 0.024 121.227 121.223 -0.033 0.000 2.056 74 L HA 0.044 4.382 4.340 -0.003 0.000 0.207 74 L C 1.983 178.799 176.870 -0.089 0.000 1.078 74 L CA 1.781 56.599 54.840 -0.037 0.000 0.749 74 L CB -0.904 41.127 42.059 -0.046 0.000 0.901 74 L HN 0.438 nan 8.230 nan 0.000 0.433 75 L N -0.891 120.227 121.223 -0.175 0.000 2.418 75 L HA -0.063 4.275 4.340 -0.003 0.000 0.218 75 L C 2.035 178.865 176.870 -0.067 0.000 1.125 75 L CA 1.061 55.739 54.840 -0.270 0.000 0.835 75 L CB -0.514 41.332 42.059 -0.355 0.000 0.953 75 L HN 0.304 nan 8.230 nan 0.000 0.454 76 T N -3.120 111.416 114.554 -0.030 0.000 3.107 76 T HA 0.137 4.485 4.350 -0.003 0.000 0.249 76 T C 0.633 175.353 174.700 0.034 0.000 1.096 76 T CA -0.329 61.777 62.100 0.009 0.000 1.012 76 T CB -0.068 68.800 68.868 -0.001 0.000 0.977 76 T HN -0.128 nan 8.240 nan 0.000 0.527 77 L N 3.771 125.020 121.223 0.042 0.000 2.562 77 L HA 0.319 4.658 4.340 -0.003 0.000 0.271 77 L C -2.171 174.748 176.870 0.082 0.000 1.167 77 L CA -2.174 52.703 54.840 0.060 0.000 0.917 77 L CB 0.020 42.120 42.059 0.068 0.000 1.187 77 L HN 0.076 nan 8.230 nan 0.000 0.482 78 P HA 0.022 nan 4.420 nan 0.000 0.271 78 P C 0.787 178.123 177.300 0.060 0.000 1.218 78 P CA -0.532 62.607 63.100 0.065 0.000 0.780 78 P CB 0.644 32.376 31.700 0.053 0.000 0.901 79 L N 3.553 124.807 121.223 0.051 0.000 2.051 79 L HA -0.219 4.119 4.340 -0.003 0.000 0.214 79 L C 1.764 178.649 176.870 0.026 0.000 1.076 79 L CA 2.075 56.933 54.840 0.029 0.000 0.758 79 L CB -1.080 40.978 42.059 -0.000 0.000 0.890 79 L HN 0.288 nan 8.230 nan 0.000 0.433 80 L N -0.946 120.295 121.223 0.030 0.000 2.042 80 L HA -0.252 4.086 4.340 -0.003 0.000 0.210 80 L C 2.571 179.463 176.870 0.038 0.000 1.076 80 L CA 1.886 56.746 54.840 0.033 0.000 0.749 80 L CB -1.852 40.232 42.059 0.042 0.000 0.893 80 L HN 0.486 nan 8.230 nan 0.000 0.432 81 Q N -0.745 119.081 119.800 0.043 0.000 2.172 81 Q HA -0.156 4.182 4.340 -0.003 0.000 0.200 81 Q C 2.310 178.340 176.000 0.049 0.000 0.964 81 Q CA 0.759 56.589 55.803 0.044 0.000 0.855 81 Q CB -0.086 28.678 28.738 0.044 0.000 0.918 81 Q HN 0.306 nan 8.270 nan 0.000 0.444 82 L N 0.387 121.642 121.223 0.054 0.000 2.005 82 L HA -0.152 4.186 4.340 -0.003 0.000 0.207 82 L C 2.290 179.191 176.870 0.052 0.000 1.072 82 L CA 1.463 56.339 54.840 0.060 0.000 0.744 82 L CB -0.563 41.541 42.059 0.074 0.000 0.895 82 L HN 0.217 nan 8.230 nan 0.000 0.433 83 V N -0.886 119.052 119.914 0.041 0.000 2.490 83 V HA -0.288 3.830 4.120 -0.003 0.000 0.250 83 V C 2.301 178.435 176.094 0.068 0.000 1.061 83 V CA 1.994 64.324 62.300 0.050 0.000 1.064 83 V CB -1.140 30.702 31.823 0.031 0.000 0.670 83 V HN 0.830 nan 8.190 nan 0.000 0.461 84 Q N 0.298 120.130 119.800 0.054 0.000 2.212 84 Q HA -0.030 4.308 4.340 -0.003 0.000 0.199 84 Q C 2.225 178.258 176.000 0.055 0.000 0.950 84 Q CA 1.551 57.384 55.803 0.050 0.000 0.863 84 Q CB -0.531 28.231 28.738 0.040 0.000 0.944 84 Q HN 0.569 nan 8.270 nan 0.000 0.465 85 K N -0.248 120.187 120.400 0.059 0.000 2.148 85 K HA -0.034 4.285 4.320 -0.003 0.000 0.204 85 K C 1.705 178.354 176.600 0.083 0.000 1.050 85 K CA 0.685 57.010 56.287 0.062 0.000 0.942 85 K CB 0.030 32.565 32.500 0.058 0.000 0.724 85 K HN 0.220 nan 8.250 nan 0.000 0.446 86 L N 1.177 122.462 121.223 0.104 0.000 2.056 86 L HA -0.156 4.183 4.340 -0.003 0.000 0.207 86 L C 2.409 179.416 176.870 0.227 0.000 1.078 86 L CA 1.709 56.651 54.840 0.169 0.000 0.749 86 L CB -0.981 41.171 42.059 0.155 0.000 0.901 86 L HN 0.150 nan 8.230 nan 0.000 0.433 87 Q N -0.166 119.723 119.800 0.148 0.000 2.119 87 Q HA -0.131 4.207 4.340 -0.003 0.000 0.201 87 Q C 2.263 178.270 176.000 0.011 0.000 0.972 87 Q CA 1.873 57.707 55.803 0.052 0.000 0.847 87 Q CB -0.169 28.587 28.738 0.030 0.000 0.903 87 Q HN 0.580 nan 8.270 nan 0.000 0.433 88 S N -1.975 113.747 115.700 0.036 0.000 2.562 88 S HA 0.227 4.695 4.470 -0.003 0.000 0.221 88 S C 1.348 175.966 174.600 0.030 0.000 0.975 88 S CA 0.397 58.611 58.200 0.023 0.000 0.918 88 S CB -0.051 63.165 63.200 0.027 0.000 0.772 88 S HN 0.631 nan 8.310 nan 0.000 0.531 89 G N 1.123 109.956 108.800 0.055 0.000 2.147 89 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.244 89 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.244 89 G C 0.362 175.298 174.900 0.061 0.000 1.005 89 G CA 0.434 45.574 45.100 0.065 0.000 0.713 89 G HN 0.556 nan 8.290 nan 0.000 0.515 90 E N -1.105 119.131 120.200 0.061 0.000 2.285 90 E HA 0.245 4.593 4.350 -0.003 0.000 0.194 90 E C 0.923 177.561 176.600 0.063 0.000 0.997 90 E CA 0.417 56.849 56.400 0.054 0.000 0.845 90 E CB 0.066 29.794 29.700 0.047 0.000 0.782 90 E HN 0.604 nan 8.360 nan 0.000 0.491 91 L N 0.504 121.774 121.223 0.078 0.000 2.386 91 L HA 0.273 4.611 4.340 -0.003 0.000 0.271 91 L C -0.116 176.814 176.870 0.099 0.000 0.993 91 L CA -0.985 53.906 54.840 0.084 0.000 0.819 91 L CB 2.003 44.110 42.059 0.079 0.000 1.294 91 L HN -0.084 nan 8.230 nan 0.000 0.414 92 S N 1.302 117.064 115.700 0.103 0.000 2.576 92 S HA 0.312 4.780 4.470 -0.003 0.000 0.276 92 S C -1.967 172.673 174.600 0.066 0.000 1.339 92 S CA -0.921 57.341 58.200 0.104 0.000 1.039 92 S CB 1.159 64.433 63.200 0.123 0.000 0.902 92 S HN 0.432 nan 8.310 nan 0.000 0.516 93 P HA -0.031 nan 4.420 nan 0.000 0.218 93 P C 0.953 178.218 177.300 -0.057 0.000 1.149 93 P CA 1.059 64.092 63.100 -0.110 0.000 0.817 93 P CB 0.032 31.594 31.700 -0.231 0.000 0.785 94 E N -0.507 119.709 120.200 0.028 0.000 2.150 94 E HA -0.080 4.268 4.350 -0.003 0.000 0.193 94 E C 2.081 178.731 176.600 0.084 0.000 0.985 94 E CA 1.166 57.633 56.400 0.112 0.000 0.814 94 E CB -0.900 28.950 29.700 0.250 0.000 0.752 94 E HN 0.134 nan 8.360 nan 0.000 0.466 95 A N 0.578 123.507 122.820 0.181 0.000 1.845 95 A HA -0.177 4.141 4.320 -0.003 0.000 0.215 95 A C 2.476 180.108 177.584 0.081 0.000 1.195 95 A CA 1.954 54.140 52.037 0.248 0.000 0.616 95 A CB -1.050 18.101 19.000 0.252 0.000 0.832 95 A HN 0.262 nan 8.150 nan 0.000 0.443 96 V N -3.078 116.870 119.914 0.057 0.000 2.548 96 V HA -0.117 4.001 4.120 -0.003 0.000 0.249 96 V C 2.220 178.335 176.094 0.034 0.000 1.055 96 V CA 2.005 64.344 62.300 0.065 0.000 1.065 96 V CB -1.016 30.853 31.823 0.076 0.000 0.681 96 V HN 0.464 nan 8.190 nan 0.000 0.462 97 F N 0.926 120.722 119.950 -0.256 0.000 2.098 97 F HA 0.041 4.567 4.527 -0.003 0.000 0.294 97 F C 2.001 177.515 175.800 -0.476 0.000 1.107 97 F CA 1.898 59.621 58.000 -0.461 0.000 1.234 97 F CB -0.263 38.352 39.000 -0.643 0.000 1.002 97 F HN 0.131 nan 8.300 nan 0.000 0.472 98 F N 0.341 120.015 119.950 -0.459 0.000 2.325 98 F HA -0.129 4.396 4.527 -0.003 0.000 0.299 98 F C 2.379 177.927 175.800 -0.419 0.000 1.090 98 F CA 1.320 58.943 58.000 -0.628 0.000 1.392 98 F CB -0.674 37.705 39.000 -1.036 0.000 1.053 98 F HN -0.086 nan 8.300 nan 0.000 0.521 99 T N -1.055 113.427 114.554 -0.120 0.000 2.746 99 T HA -0.225 4.123 4.350 -0.003 0.000 0.267 99 T C 1.518 176.093 174.700 -0.209 0.000 1.039 99 T CA 1.427 63.474 62.100 -0.088 0.000 1.142 99 T CB -0.463 68.368 68.868 -0.060 0.000 0.866 99 T HN 0.204 nan 8.240 nan 0.000 0.444 100 Y N 0.730 120.872 120.300 -0.262 0.000 2.220 100 Y HA 0.156 4.705 4.550 -0.003 0.000 0.291 100 Y C 2.235 177.950 175.900 -0.308 0.000 1.129 100 Y CA 0.370 58.296 58.100 -0.289 0.000 1.161 100 Y CB -0.321 37.892 38.460 -0.411 0.000 0.997 100 Y HN 0.095 nan 8.280 nan 0.000 0.522 101 L N -0.875 120.102 121.223 -0.409 0.000 2.079 101 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 101 L C 2.356 179.205 176.870 -0.034 0.000 1.081 101 L CA 1.704 56.361 54.840 -0.305 0.000 0.752 101 L CB -1.011 40.656 42.059 -0.654 0.000 0.896 101 L HN 0.406 nan 8.230 nan 0.000 0.433 102 G N -0.103 108.671 108.800 -0.043 0.000 2.446 102 G HA2 -0.358 3.600 3.960 -0.003 0.000 0.217 102 G HA3 -0.358 3.600 3.960 -0.003 0.000 0.217 102 G C 1.627 176.594 174.900 0.111 0.000 1.168 102 G CA 1.070 46.189 45.100 0.032 0.000 0.771 102 G HN 0.232 nan 8.290 nan 0.000 0.551 103 K N 0.940 121.367 120.400 0.044 0.000 2.103 103 K HA 0.231 4.549 4.320 -0.003 0.000 0.204 103 K C 2.674 179.346 176.600 0.121 0.000 1.052 103 K CA 1.386 57.704 56.287 0.052 0.000 0.945 103 K CB -0.578 31.891 32.500 -0.051 0.000 0.722 103 K HN 0.172 nan 8.250 nan 0.000 0.443 104 A N -0.300 122.630 122.820 0.182 0.000 1.933 104 A HA -0.167 4.151 4.320 -0.003 0.000 0.218 104 A C 2.116 179.796 177.584 0.159 0.000 1.175 104 A CA 1.533 53.693 52.037 0.205 0.000 0.628 104 A CB -1.139 18.076 19.000 0.358 0.000 0.814 104 A HN 0.659 nan 8.150 nan 0.000 0.444 105 W N 0.613 121.924 121.300 0.019 0.000 2.358 105 W HA -0.151 4.507 4.660 -0.003 0.000 0.303 105 W C 2.047 178.560 176.519 -0.009 0.000 1.208 105 W CA 1.970 59.310 57.345 -0.009 0.000 1.274 105 W CB -0.053 29.390 29.460 -0.029 0.000 1.138 105 W HN 0.460 nan 8.180 nan 0.000 0.515 106 E N -0.524 119.791 120.200 0.192 0.000 2.072 106 E HA -0.216 4.132 4.350 -0.003 0.000 0.191 106 E C 2.144 178.686 176.600 -0.096 0.000 0.985 106 E CA 2.319 58.749 56.400 0.050 0.000 0.801 106 E CB -0.383 29.396 29.700 0.131 0.000 0.750 106 E HN 0.254 nan 8.360 nan 0.000 0.452 107 V N -0.690 119.193 119.914 -0.052 0.000 3.306 107 V HA 0.007 4.126 4.120 -0.003 0.000 0.264 107 V C 1.664 177.702 176.094 -0.094 0.000 1.149 107 V CA 1.306 63.570 62.300 -0.060 0.000 1.143 107 V CB -0.362 31.452 31.823 -0.015 0.000 0.767 107 V HN 0.113 nan 8.190 nan 0.000 0.476 108 N N 1.410 120.022 118.700 -0.147 0.000 2.364 108 N HA -0.146 4.593 4.740 -0.003 0.000 0.183 108 N C 1.660 177.040 175.510 -0.217 0.000 1.022 108 N CA 1.402 54.343 53.050 -0.181 0.000 0.883 108 N CB -0.329 38.023 38.487 -0.224 0.000 0.965 108 N HN 0.529 nan 8.380 nan 0.000 0.438 109 K N -1.222 119.011 120.400 -0.279 0.000 2.148 109 K HA 0.093 4.411 4.320 -0.003 0.000 0.204 109 K C 1.440 177.955 176.600 -0.143 0.000 1.050 109 K CA 1.242 57.379 56.287 -0.249 0.000 0.942 109 K CB -0.199 32.125 32.500 -0.292 0.000 0.724 109 K HN 0.247 nan 8.250 nan 0.000 0.446 110 G N -1.454 107.280 108.800 -0.110 0.000 3.324 110 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.251 110 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.251 110 G C 0.842 175.716 174.900 -0.044 0.000 1.072 110 G CA 0.460 45.519 45.100 -0.068 0.000 0.787 110 G HN 0.386 nan 8.290 nan 0.000 0.537 111 T N -3.571 110.953 114.554 -0.050 0.000 3.010 111 T HA 0.128 4.476 4.350 -0.003 0.000 0.252 111 T C 0.855 175.539 174.700 -0.027 0.000 0.963 111 T CA 0.434 62.521 62.100 -0.023 0.000 0.952 111 T CB -0.069 68.794 68.868 -0.009 0.000 1.182 111 T HN 0.137 nan 8.240 nan 0.000 0.495 112 N N 0.974 119.642 118.700 -0.053 0.000 2.696 112 N HA -0.194 4.544 4.740 -0.003 0.000 0.256 112 N C 0.630 176.113 175.510 -0.046 0.000 1.031 112 N CA 0.688 53.708 53.050 -0.051 0.000 0.730 112 N CB -1.735 36.737 38.487 -0.025 0.000 0.894 112 N HN 0.837 nan 8.380 nan 0.000 0.544 113 C N -2.815 116.449 119.300 -0.060 0.000 3.070 113 C HA 0.550 5.008 4.460 -0.003 0.000 0.280 113 C C 0.769 175.702 174.990 -0.094 0.000 1.264 113 C CA -0.544 58.441 59.018 -0.055 0.000 1.690 113 C CB -0.715 27.008 27.740 -0.028 0.000 2.049 113 C HN 0.226 nan 8.230 nan 0.000 0.636 114 V N 2.210 122.054 119.914 -0.117 0.000 2.370 114 V HA 0.308 4.427 4.120 -0.003 0.000 0.283 114 V C 1.069 177.037 176.094 -0.212 0.000 1.023 114 V CA 0.554 62.769 62.300 -0.143 0.000 0.857 114 V CB 1.364 33.125 31.823 -0.104 0.000 0.985 114 V HN 0.476 nan 8.190 nan 0.000 0.443 115 T N 2.627 117.003 114.554 -0.297 0.000 2.976 115 T HA 0.092 4.440 4.350 -0.003 0.000 0.257 115 T C 0.629 175.108 174.700 -0.368 0.000 1.051 115 T CA 1.232 62.974 62.100 -0.597 0.000 1.141 115 T CB 0.198 68.637 68.868 -0.716 0.000 0.881 115 T HN 0.692 nan 8.240 nan 0.000 0.461 116 S N -0.566 115.045 115.700 -0.148 0.000 2.552 116 S HA 0.467 4.935 4.470 -0.003 0.000 0.272 116 S C -2.165 172.426 174.600 -0.015 0.000 1.150 116 S CA -0.892 57.301 58.200 -0.012 0.000 0.849 116 S CB 1.034 64.266 63.200 0.052 0.000 1.113 116 S HN 0.303 nan 8.310 nan 0.000 0.458 117 Y N 4.469 124.728 120.300 -0.068 0.000 2.334 117 Y HA 0.617 5.165 4.550 -0.003 0.000 0.336 117 Y C -0.729 175.090 175.900 -0.135 0.000 0.960 117 Y CA -0.895 57.153 58.100 -0.087 0.000 1.164 117 Y CB 0.806 39.293 38.460 0.045 0.000 1.155 117 Y HN 0.667 nan 8.280 nan 0.000 0.478 118 L N 7.191 127.931 121.223 -0.806 0.000 2.448 118 L HA 0.093 4.432 4.340 -0.003 0.000 0.278 118 L C 1.651 178.098 176.870 -0.705 0.000 1.201 118 L CA 0.216 54.422 54.840 -1.057 0.000 1.036 118 L CB -0.113 40.983 42.059 -1.603 0.000 1.325 118 L HN 0.898 nan 8.230 nan 0.000 0.441 119 T N -1.304 113.072 114.554 -0.296 0.000 2.737 119 T HA -0.258 4.091 4.350 -0.003 0.000 0.269 119 T C 1.044 175.673 174.700 -0.118 0.000 1.040 119 T CA 1.530 63.499 62.100 -0.218 0.000 1.142 119 T CB -0.533 68.377 68.868 0.069 0.000 0.861 119 T HN 0.757 nan 8.240 nan 0.000 0.456 120 D N 1.638 122.034 120.400 -0.007 0.000 2.494 120 D HA 0.159 4.797 4.640 -0.003 0.000 0.249 120 D C 1.044 177.337 176.300 -0.011 0.000 1.223 120 D CA -0.218 53.801 54.000 0.032 0.000 0.865 120 D CB -1.235 39.627 40.800 0.104 0.000 0.974 120 D HN 0.757 nan 8.370 nan 0.000 0.491 121 C N -1.594 117.629 119.300 -0.128 0.000 2.644 121 C HA 0.495 4.954 4.460 -0.003 0.000 0.330 121 C C 1.525 176.392 174.990 -0.204 0.000 1.606 121 C CA -0.434 58.461 59.018 -0.205 0.000 2.115 121 C CB 0.457 28.029 27.740 -0.279 0.000 1.990 121 C HN 0.557 nan 8.230 nan 0.000 0.581 122 E N -1.434 118.532 120.200 -0.389 0.000 5.150 122 E HA -0.302 4.046 4.350 -0.003 0.000 0.167 122 E C 1.335 177.852 176.600 -0.140 0.000 1.196 122 E CA 2.112 58.357 56.400 -0.257 0.000 2.189 122 E CB -2.067 27.619 29.700 -0.023 0.000 1.820 122 E HN 0.967 nan 8.360 nan 0.000 0.420 123 T N -1.430 113.068 114.554 -0.093 0.000 3.067 123 T HA -0.003 4.345 4.350 -0.003 0.000 0.261 123 T C 1.580 176.226 174.700 -0.090 0.000 1.110 123 T CA 1.250 63.311 62.100 -0.065 0.000 1.113 123 T CB 0.137 68.988 68.868 -0.028 0.000 0.917 123 T HN 0.027 nan 8.240 nan 0.000 0.499 124 Q N 0.382 120.099 119.800 -0.138 0.000 2.424 124 Q HA 0.355 4.694 4.340 -0.003 0.000 0.204 124 Q C 1.821 177.691 176.000 -0.215 0.000 0.933 124 Q CA 0.521 56.233 55.803 -0.151 0.000 0.929 124 Q CB -0.516 28.139 28.738 -0.138 0.000 1.037 124 Q HN 0.541 nan 8.270 nan 0.000 0.511 125 L N -0.987 120.066 121.223 -0.284 0.000 2.179 125 L HA -0.046 4.292 4.340 -0.003 0.000 0.208 125 L C 2.049 178.835 176.870 -0.140 0.000 1.096 125 L CA 0.801 55.471 54.840 -0.283 0.000 0.779 125 L CB -0.188 41.647 42.059 -0.374 0.000 0.922 125 L HN 0.093 nan 8.230 nan 0.000 0.443 126 S N -0.187 115.456 115.700 -0.095 0.000 2.356 126 S HA -0.240 4.228 4.470 -0.003 0.000 0.223 126 S C 1.906 176.494 174.600 -0.019 0.000 1.032 126 S CA 1.824 60.001 58.200 -0.037 0.000 1.005 126 S CB -0.360 62.824 63.200 -0.027 0.000 0.867 126 S HN 0.613 nan 8.310 nan 0.000 0.449 127 Q N -0.206 119.573 119.800 -0.035 0.000 2.175 127 Q HA 0.742 5.080 4.340 -0.003 0.000 0.225 127 Q C 0.267 176.259 176.000 -0.012 0.000 0.837 127 Q CA 0.257 56.048 55.803 -0.019 0.000 1.032 127 Q CB -0.231 28.490 28.738 -0.029 0.000 1.137 127 Q HN 0.594 nan 8.270 nan 0.000 0.483 128 A N 2.169 124.989 122.820 -0.000 0.000 2.451 128 A HA 0.577 4.896 4.320 -0.003 0.000 0.266 128 A C -2.310 175.360 177.584 0.144 0.000 1.119 128 A CA -1.111 50.949 52.037 0.039 0.000 0.786 128 A CB -0.005 18.978 19.000 -0.029 0.000 1.061 128 A HN 0.349 nan 8.150 nan 0.000 0.503 129 P HA 0.118 nan 4.420 nan 0.000 0.267 129 P C 0.790 178.143 177.300 0.089 0.000 1.205 129 P CA -0.272 62.869 63.100 0.069 0.000 0.765 129 P CB 0.591 32.306 31.700 0.025 0.000 0.828 130 R N 3.175 123.629 120.500 -0.076 0.000 2.093 130 R HA -0.088 4.250 4.340 -0.003 0.000 0.224 130 R C 2.019 178.089 176.300 -0.385 0.000 1.101 130 R CA 1.667 57.516 56.100 -0.419 0.000 0.979 130 R CB -0.381 29.720 30.300 -0.333 0.000 0.877 130 R HN 0.587 nan 8.270 nan 0.000 0.441 131 Q N 0.156 119.859 119.800 -0.161 0.000 2.403 131 Q HA 0.192 4.531 4.340 -0.003 0.000 0.203 131 Q C 0.708 176.687 176.000 -0.035 0.000 0.932 131 Q CA 0.556 56.300 55.803 -0.099 0.000 0.945 131 Q CB 0.064 28.766 28.738 -0.059 0.000 1.045 131 Q HN 0.442 nan 8.270 nan 0.000 0.511 132 G N -0.140 108.661 108.800 0.001 0.000 2.483 132 G HA2 0.362 4.320 3.960 -0.003 0.000 0.248 132 G HA3 0.362 4.320 3.960 -0.003 0.000 0.248 132 G C 0.604 175.535 174.900 0.052 0.000 1.248 132 G CA -0.485 44.639 45.100 0.040 0.000 0.838 132 G HN 0.249 nan 8.290 nan 0.000 0.566 133 L N 0.880 122.116 121.223 0.023 0.000 2.291 133 L HA 0.174 4.513 4.340 -0.003 0.000 0.214 133 L C 1.682 178.556 176.870 0.008 0.000 1.120 133 L CA 1.101 55.944 54.840 0.006 0.000 0.799 133 L CB -0.451 41.592 42.059 -0.026 0.000 0.925 133 L HN 0.453 nan 8.230 nan 0.000 0.446 134 L N -2.330 118.900 121.223 0.012 0.000 2.999 134 L HA 0.120 4.458 4.340 -0.003 0.000 0.263 134 L C 1.134 178.014 176.870 0.017 0.000 1.320 134 L CA -0.283 54.555 54.840 -0.004 0.000 0.913 134 L CB -0.233 41.796 42.059 -0.050 0.000 1.296 134 L HN 0.051 nan 8.230 nan 0.000 0.546 135 Y N 1.326 121.597 120.300 -0.047 0.000 2.128 135 Y HA -0.172 4.376 4.550 -0.003 0.000 0.284 135 Y C 1.980 177.850 175.900 -0.050 0.000 1.154 135 Y CA 1.981 60.054 58.100 -0.045 0.000 1.149 135 Y CB 0.279 38.720 38.460 -0.032 0.000 0.976 135 Y HN 0.339 nan 8.280 nan 0.000 0.505 136 G N -0.262 108.339 108.800 -0.332 0.000 2.838 136 G HA2 0.097 4.055 3.960 -0.003 0.000 0.210 136 G HA3 0.097 4.055 3.960 -0.003 0.000 0.210 136 G C -0.144 174.608 174.900 -0.246 0.000 1.153 136 G CA 0.188 45.036 45.100 -0.420 0.000 0.778 136 G HN 0.144 nan 8.290 nan 0.000 0.539 137 V N 3.594 123.405 119.914 -0.172 0.000 2.421 137 V HA 0.172 4.291 4.120 -0.003 0.000 0.271 137 V C -1.865 174.137 176.094 -0.154 0.000 1.031 137 V CA -1.436 60.772 62.300 -0.154 0.000 1.032 137 V CB 0.941 32.695 31.823 -0.116 0.000 1.009 137 V HN 0.114 nan 8.190 nan 0.000 0.477 138 P HA 0.233 nan 4.420 nan 0.000 0.276 138 P C -0.530 176.777 177.300 0.012 0.000 1.253 138 P CA 0.068 63.076 63.100 -0.153 0.000 0.766 138 P CB 1.191 32.577 31.700 -0.524 0.000 0.845 139 V N 1.294 121.312 119.914 0.174 0.000 2.581 139 V HA 0.736 4.854 4.120 -0.003 0.000 0.303 139 V C -0.049 176.100 176.094 0.092 0.000 1.041 139 V CA -0.878 61.485 62.300 0.105 0.000 0.907 139 V CB 1.658 33.464 31.823 -0.030 0.000 0.994 139 V HN 0.551 nan 8.190 nan 0.000 0.442 140 S N 5.254 120.925 115.700 -0.048 0.000 2.541 140 S HA 0.814 5.282 4.470 -0.003 0.000 0.283 140 S C -0.540 173.970 174.600 -0.150 0.000 1.196 140 S CA -0.781 57.283 58.200 -0.227 0.000 1.062 140 S CB 1.113 64.165 63.200 -0.247 0.000 1.009 140 S HN 0.798 nan 8.310 nan 0.000 0.502 141 L N 2.387 123.539 121.223 -0.118 0.000 2.329 141 L HA 0.528 4.866 4.340 -0.003 0.000 0.279 141 L C 0.287 177.220 176.870 0.105 0.000 1.014 141 L CA -0.938 53.898 54.840 -0.007 0.000 0.814 141 L CB 1.533 43.667 42.059 0.125 0.000 1.257 141 L HN 0.749 nan 8.230 nan 0.000 0.424 142 K N 2.319 122.840 120.400 0.201 0.000 2.382 142 K HA -0.022 4.296 4.320 -0.003 0.000 0.275 142 K C 1.001 177.650 176.600 0.082 0.000 1.009 142 K CA -0.043 56.348 56.287 0.174 0.000 0.970 142 K CB 0.983 33.623 32.500 0.234 0.000 0.934 142 K HN 0.784 nan 8.250 nan 0.000 0.479 143 E N 3.246 123.325 120.200 -0.202 0.000 2.265 143 E HA -0.216 4.132 4.350 -0.003 0.000 0.196 143 E C 1.470 177.770 176.600 -0.500 0.000 0.996 143 E CA 1.356 57.342 56.400 -0.690 0.000 0.832 143 E CB -0.379 29.044 29.700 -0.461 0.000 0.756 143 E HN 0.771 nan 8.360 nan 0.000 0.491 144 C N 0.175 119.333 119.300 -0.238 0.000 2.466 144 C HA 0.130 4.588 4.460 -0.003 0.000 0.283 144 C C 0.630 175.467 174.990 -0.254 0.000 1.472 144 C CA -0.832 58.054 59.018 -0.220 0.000 1.765 144 C CB -1.939 25.654 27.740 -0.244 0.000 1.724 144 C HN 0.209 nan 8.230 nan 0.000 0.560 145 F N 3.330 123.280 119.950 0.000 0.000 2.438 145 F HA 0.303 4.829 4.527 -0.003 0.000 0.360 145 F C 1.212 177.154 175.800 0.237 0.000 1.118 145 F CA -0.003 58.065 58.000 0.112 0.000 1.164 145 F CB 0.472 39.548 39.000 0.127 0.000 1.131 145 F HN 0.239 nan 8.300 nan 0.000 0.527 146 S N 4.322 120.208 115.700 0.311 0.000 2.488 146 S HA 0.212 4.681 4.470 -0.003 0.000 0.278 146 S C -0.951 173.826 174.600 0.294 0.000 1.259 146 S CA -0.459 57.915 58.200 0.289 0.000 1.061 146 S CB 0.148 63.451 63.200 0.173 0.000 0.910 146 S HN 0.559 nan 8.310 nan 0.000 0.491 147 Y N 2.089 122.498 120.300 0.181 0.000 2.364 147 Y HA 0.503 5.051 4.550 -0.003 0.000 0.340 147 Y C 0.511 176.475 175.900 0.107 0.000 0.975 147 Y CA -0.486 57.651 58.100 0.062 0.000 1.089 147 Y CB 0.898 39.263 38.460 -0.159 0.000 1.192 147 Y HN 0.977 nan 8.280 nan 0.000 0.454 148 K N 2.714 123.094 120.400 -0.034 0.000 2.524 148 K HA 0.397 4.715 4.320 -0.003 0.000 0.279 148 K C 1.168 177.903 176.600 0.227 0.000 0.993 148 K CA 0.534 56.852 56.287 0.051 0.000 1.030 148 K CB -0.760 31.696 32.500 -0.074 0.000 0.891 148 K HN 1.616 nan 8.250 nan 0.000 0.488 149 G N 0.814 109.693 108.800 0.133 0.000 2.304 149 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.252 149 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.252 149 G C 0.379 175.253 174.900 -0.044 0.000 1.014 149 G CA 0.615 45.743 45.100 0.048 0.000 0.619 149 G HN 1.042 nan 8.290 nan 0.000 0.525 150 H N 0.809 119.963 119.070 0.139 0.000 2.529 150 H HA 0.440 4.994 4.556 -0.003 0.000 0.348 150 H C -0.829 174.602 175.328 0.172 0.000 1.152 150 H CA -0.654 55.477 56.048 0.138 0.000 1.202 150 H CB 1.364 31.181 29.762 0.092 0.000 1.562 150 H HN 0.234 nan 8.280 nan 0.000 0.515 151 D N 0.496 121.066 120.400 0.283 0.000 2.348 151 D HA 0.024 4.663 4.640 -0.003 0.000 0.253 151 D C 0.012 176.473 176.300 0.268 0.000 1.161 151 D CA 0.371 54.511 54.000 0.233 0.000 0.876 151 D CB 0.764 41.683 40.800 0.198 0.000 1.160 151 D HN 0.240 nan 8.370 nan 0.000 0.459 152 S N 1.514 117.330 115.700 0.193 0.000 2.560 152 S HA 0.104 4.573 4.470 -0.003 0.000 0.227 152 S C 0.028 174.676 174.600 0.079 0.000 1.280 152 S CA -0.700 57.578 58.200 0.129 0.000 1.260 152 S CB -0.424 62.849 63.200 0.123 0.000 1.002 152 S HN 0.584 nan 8.310 nan 0.000 0.509 153 T N 0.603 115.219 114.554 0.103 0.000 2.940 153 T HA 0.166 4.514 4.350 -0.003 0.000 0.309 153 T C 0.665 175.397 174.700 0.054 0.000 1.056 153 T CA -0.385 61.756 62.100 0.068 0.000 1.137 153 T CB 0.366 69.289 68.868 0.092 0.000 0.976 153 T HN 0.118 nan 8.240 nan 0.000 0.547 154 L N 3.458 124.683 121.223 0.003 0.000 2.791 154 L HA 0.383 4.721 4.340 -0.003 0.000 0.239 154 L C 2.004 178.890 176.870 0.026 0.000 1.203 154 L CA 0.860 55.700 54.840 0.000 0.000 1.002 154 L CB -0.724 41.312 42.059 -0.038 0.000 1.295 154 L HN 1.249 nan 8.230 nan 0.000 0.504 155 G N -0.785 108.050 108.800 0.059 0.000 2.176 155 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.232 155 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.232 155 G C 0.058 174.936 174.900 -0.037 0.000 0.986 155 G CA -0.382 44.744 45.100 0.044 0.000 0.643 155 G HN 0.129 nan 8.290 nan 0.000 0.522 156 L N 2.084 123.254 121.223 -0.088 0.000 2.265 156 L HA 0.588 4.926 4.340 -0.003 0.000 0.289 156 L C 1.695 178.495 176.870 -0.117 0.000 1.033 156 L CA 0.475 55.214 54.840 -0.169 0.000 0.814 156 L CB 0.963 42.863 42.059 -0.265 0.000 1.203 156 L HN 0.102 nan 8.230 nan 0.000 0.423 157 S N 3.187 118.831 115.700 -0.094 0.000 2.400 157 S HA -0.204 4.264 4.470 -0.003 0.000 0.232 157 S C 1.753 176.314 174.600 -0.064 0.000 1.025 157 S CA 0.947 59.109 58.200 -0.064 0.000 0.993 157 S CB -0.221 62.963 63.200 -0.027 0.000 0.808 157 S HN 0.625 nan 8.310 nan 0.000 0.478 158 L N 2.960 124.129 121.223 -0.090 0.000 2.089 158 L HA -0.209 4.129 4.340 -0.003 0.000 0.213 158 L C 0.946 177.787 176.870 -0.048 0.000 1.079 158 L CA 1.932 56.725 54.840 -0.078 0.000 0.758 158 L CB -0.846 41.144 42.059 -0.114 0.000 0.891 158 L HN 0.400 nan 8.230 nan 0.000 0.433 159 N N -1.461 117.211 118.700 -0.045 0.000 2.235 159 N HA -0.001 4.737 4.740 -0.003 0.000 0.209 159 N C 1.306 176.822 175.510 0.010 0.000 1.122 159 N CA 0.504 53.548 53.050 -0.010 0.000 0.845 159 N CB 0.027 38.515 38.487 0.001 0.000 1.004 159 N HN 0.391 nan 8.380 nan 0.000 0.499 160 E N 1.751 121.946 120.200 -0.007 0.000 2.150 160 E HA -0.083 4.265 4.350 -0.003 0.000 0.193 160 E C 1.994 178.602 176.600 0.014 0.000 0.985 160 E CA 1.482 57.883 56.400 0.001 0.000 0.814 160 E CB -0.772 28.907 29.700 -0.036 0.000 0.752 160 E HN 0.297 nan 8.360 nan 0.000 0.466 161 G N 1.277 110.081 108.800 0.006 0.000 2.703 161 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.222 161 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.222 161 G C 0.924 175.838 174.900 0.023 0.000 1.183 161 G CA 2.072 47.179 45.100 0.011 0.000 0.775 161 G HN 0.447 nan 8.290 nan 0.000 0.615 162 M N 0.109 119.729 119.600 0.033 0.000 2.259 162 M HA 0.526 5.004 4.480 -0.003 0.000 0.304 162 M C -3.209 173.126 176.300 0.059 0.000 1.019 162 M CA -3.443 51.880 55.300 0.039 0.000 0.922 162 M CB 1.582 34.203 32.600 0.034 0.000 1.600 162 M HN -0.130 nan 8.290 nan 0.000 0.433 163 P HA 0.194 nan 4.420 nan 0.000 0.272 163 P C -0.547 176.801 177.300 0.079 0.000 1.223 163 P CA -0.045 63.098 63.100 0.072 0.000 0.784 163 P CB 0.371 32.095 31.700 0.039 0.000 0.923 164 S N -0.534 115.232 115.700 0.110 0.000 2.545 164 S HA 0.357 4.826 4.470 -0.003 0.000 0.275 164 S C 1.447 176.089 174.600 0.069 0.000 1.299 164 S CA -0.184 58.074 58.200 0.096 0.000 1.048 164 S CB 0.676 63.952 63.200 0.127 0.000 0.938 164 S HN 0.576 nan 8.310 nan 0.000 0.496 165 E N 1.376 121.603 120.200 0.044 0.000 2.208 165 E HA 0.105 4.454 4.350 -0.003 0.000 0.193 165 E C 0.925 177.531 176.600 0.011 0.000 0.988 165 E CA 1.047 57.462 56.400 0.025 0.000 0.828 165 E CB -0.136 29.575 29.700 0.017 0.000 0.763 165 E HN 0.749 nan 8.360 nan 0.000 0.478 166 S N -0.168 115.537 115.700 0.009 0.000 2.546 166 S HA 0.429 4.897 4.470 -0.003 0.000 0.274 166 S C -1.743 172.837 174.600 -0.032 0.000 1.121 166 S CA -0.795 57.392 58.200 -0.021 0.000 0.887 166 S CB 1.497 64.686 63.200 -0.019 0.000 1.094 166 S HN 0.200 nan 8.310 nan 0.000 0.474 167 D N 2.311 122.643 120.400 -0.113 0.000 2.533 167 D HA 0.090 4.728 4.640 -0.003 0.000 0.236 167 D C 0.790 177.060 176.300 -0.049 0.000 1.137 167 D CA 0.275 54.179 54.000 -0.159 0.000 0.867 167 D CB 0.056 40.680 40.800 -0.294 0.000 1.170 167 D HN 0.714 nan 8.370 nan 0.000 0.474 168 C N 1.466 120.778 119.300 0.021 0.000 2.656 168 C HA 0.194 4.652 4.460 -0.003 0.000 0.391 168 C C 2.093 177.113 174.990 0.050 0.000 1.300 168 C CA -0.884 58.177 59.018 0.071 0.000 2.302 168 C CB 0.301 28.141 27.740 0.166 0.000 2.655 168 C HN 0.507 nan 8.230 nan 0.000 0.656 169 V N 3.251 123.200 119.914 0.058 0.000 2.287 169 V HA -0.206 3.912 4.120 -0.003 0.000 0.248 169 V C 2.601 178.713 176.094 0.030 0.000 1.053 169 V CA 2.750 65.072 62.300 0.037 0.000 1.027 169 V CB -0.801 31.050 31.823 0.048 0.000 0.646 169 V HN 1.006 nan 8.190 nan 0.000 0.447 170 V N -2.450 117.505 119.914 0.068 0.000 2.594 170 V HA -0.149 3.970 4.120 -0.003 0.000 0.253 170 V C 2.196 178.272 176.094 -0.031 0.000 1.069 170 V CA 1.735 64.052 62.300 0.028 0.000 1.082 170 V CB -0.838 31.025 31.823 0.067 0.000 0.680 170 V HN 0.308 nan 8.190 nan 0.000 0.469 171 V N 0.025 119.936 119.914 -0.005 0.000 2.358 171 V HA -0.251 3.868 4.120 -0.003 0.000 0.246 171 V C 2.803 178.852 176.094 -0.075 0.000 1.047 171 V CA 2.377 64.654 62.300 -0.037 0.000 1.035 171 V CB -0.578 31.254 31.823 0.014 0.000 0.658 171 V HN 0.553 nan 8.190 nan 0.000 0.452 172 Q N -0.588 119.168 119.800 -0.075 0.000 2.096 172 Q HA -0.207 4.131 4.340 -0.003 0.000 0.204 172 Q C 2.377 178.302 176.000 -0.125 0.000 0.982 172 Q CA 2.280 58.022 55.803 -0.101 0.000 0.850 172 Q CB -0.298 28.394 28.738 -0.077 0.000 0.901 172 Q HN 0.664 nan 8.270 nan 0.000 0.422 173 V N -0.888 118.962 119.914 -0.107 0.000 2.548 173 V HA -0.167 3.951 4.120 -0.003 0.000 0.249 173 V C 1.864 177.881 176.094 -0.129 0.000 1.055 173 V CA 1.162 63.382 62.300 -0.133 0.000 1.065 173 V CB -0.380 31.388 31.823 -0.092 0.000 0.681 173 V HN 0.321 nan 8.190 nan 0.000 0.462 174 L N 0.032 121.191 121.223 -0.106 0.000 2.013 174 L HA -0.213 4.125 4.340 -0.003 0.000 0.212 174 L C 2.879 179.692 176.870 -0.095 0.000 1.073 174 L CA 2.561 57.343 54.840 -0.097 0.000 0.753 174 L CB -0.679 41.325 42.059 -0.092 0.000 0.890 174 L HN 0.288 nan 8.230 nan 0.000 0.432 175 K N -0.073 120.266 120.400 -0.102 0.000 2.026 175 K HA -0.139 4.179 4.320 -0.003 0.000 0.208 175 K C 2.061 178.589 176.600 -0.121 0.000 1.048 175 K CA 1.219 57.445 56.287 -0.102 0.000 0.929 175 K CB -0.198 32.237 32.500 -0.108 0.000 0.713 175 K HN 0.220 nan 8.250 nan 0.000 0.439 176 L N 0.365 121.477 121.223 -0.184 0.000 2.275 176 L HA -0.158 4.180 4.340 -0.003 0.000 0.215 176 L C 1.824 178.584 176.870 -0.184 0.000 1.119 176 L CA 0.831 55.508 54.840 -0.270 0.000 0.790 176 L CB -0.036 41.667 42.059 -0.592 0.000 0.919 176 L HN 0.152 nan 8.230 nan 0.000 0.443 177 Q N -0.564 119.162 119.800 -0.122 0.000 2.222 177 Q HA 0.163 4.502 4.340 -0.003 0.000 0.206 177 Q C 1.168 177.159 176.000 -0.015 0.000 0.877 177 Q CA 0.609 56.383 55.803 -0.049 0.000 0.958 177 Q CB 0.492 29.199 28.738 -0.052 0.000 1.075 177 Q HN 0.378 nan 8.270 nan 0.000 0.483 178 G N -1.135 107.656 108.800 -0.015 0.000 2.234 178 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.235 178 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.235 178 G C 0.320 175.181 174.900 -0.065 0.000 0.997 178 G CA -0.108 45.005 45.100 0.021 0.000 0.623 178 G HN 0.622 nan 8.290 nan 0.000 0.514 179 A N -0.082 122.695 122.820 -0.072 0.000 2.445 179 A HA 0.611 4.929 4.320 -0.003 0.000 0.242 179 A C 0.442 177.975 177.584 -0.084 0.000 1.075 179 A CA 0.713 52.699 52.037 -0.086 0.000 0.777 179 A CB 0.860 19.816 19.000 -0.072 0.000 1.013 179 A HN 1.207 nan 8.150 nan 0.000 0.493 180 V N 4.290 124.157 119.914 -0.078 0.000 2.275 180 V HA 0.273 4.391 4.120 -0.003 0.000 0.272 180 V C -2.475 173.665 176.094 0.077 0.000 1.028 180 V CA -1.481 60.783 62.300 -0.060 0.000 0.810 180 V CB 0.958 32.680 31.823 -0.169 0.000 1.043 180 V HN 0.725 nan 8.190 nan 0.000 0.453 181 P HA 0.206 nan 4.420 nan 0.000 0.271 181 P C -0.036 177.307 177.300 0.071 0.000 1.226 181 P CA 0.050 63.208 63.100 0.097 0.000 0.765 181 P CB 0.399 32.180 31.700 0.134 0.000 0.835 182 F N 2.998 122.861 119.950 -0.146 0.000 2.729 182 F HA 0.323 4.848 4.527 -0.003 0.000 0.304 182 F C -0.358 175.344 175.800 -0.164 0.000 1.008 182 F CA -0.238 57.697 58.000 -0.108 0.000 1.188 182 F CB 0.007 39.118 39.000 0.186 0.000 0.980 182 F HN 0.063 nan 8.300 nan 0.000 0.627 183 V N -0.681 118.773 119.914 -0.767 0.000 2.789 183 V HA 0.518 4.636 4.120 -0.003 0.000 0.311 183 V C -0.961 174.907 176.094 -0.376 0.000 1.073 183 V CA -0.885 61.075 62.300 -0.566 0.000 0.921 183 V CB 1.132 32.579 31.823 -0.627 0.000 1.009 183 V HN 0.316 nan 8.190 nan 0.000 0.426 184 H N 2.069 120.933 119.070 -0.343 0.000 2.610 184 H HA 0.597 5.151 4.556 -0.003 0.000 0.336 184 H C 0.291 175.487 175.328 -0.220 0.000 1.087 184 H CA 0.137 56.043 56.048 -0.238 0.000 1.405 184 H CB 1.540 31.186 29.762 -0.195 0.000 1.460 184 H HN 1.001 nan 8.280 nan 0.000 0.538 185 T N 1.045 115.565 114.554 -0.056 0.000 2.888 185 T HA 0.134 4.482 4.350 -0.003 0.000 0.284 185 T C 0.253 174.892 174.700 -0.102 0.000 1.017 185 T CA -1.224 60.817 62.100 -0.098 0.000 1.022 185 T CB 1.476 70.301 68.868 -0.071 0.000 1.013 185 T HN 0.444 nan 8.240 nan 0.000 0.465 186 N N 1.031 119.668 118.700 -0.106 0.000 2.412 186 N HA 0.266 5.004 4.740 -0.003 0.000 0.254 186 N C -0.060 175.445 175.510 -0.008 0.000 1.232 186 N CA -0.118 52.890 53.050 -0.070 0.000 0.880 186 N CB 0.385 38.842 38.487 -0.050 0.000 1.076 186 N HN 0.747 nan 8.380 nan 0.000 0.458 187 V N 1.327 121.253 119.914 0.021 0.000 3.096 187 V HA 0.793 4.911 4.120 -0.003 0.000 0.319 187 V C -2.366 173.769 176.094 0.068 0.000 1.103 187 V CA -2.048 60.277 62.300 0.042 0.000 1.016 187 V CB 1.768 33.609 31.823 0.030 0.000 1.090 187 V HN 0.601 nan 8.190 nan 0.000 0.449 188 P HA 0.150 nan 4.420 nan 0.000 0.276 188 P C 0.406 177.769 177.300 0.106 0.000 1.261 188 P CA -0.100 63.051 63.100 0.085 0.000 0.800 188 P CB 1.111 32.858 31.700 0.079 0.000 1.066 189 Q N 0.864 120.740 119.800 0.127 0.000 2.077 189 Q HA -0.183 4.156 4.340 -0.003 0.000 0.206 189 Q C 1.551 177.613 176.000 0.102 0.000 0.989 189 Q CA 2.344 58.225 55.803 0.130 0.000 0.853 189 Q CB -0.381 28.473 28.738 0.193 0.000 0.907 189 Q HN 0.359 nan 8.270 nan 0.000 0.418 190 S N -1.672 114.150 115.700 0.203 0.000 2.578 190 S HA 0.270 4.738 4.470 -0.003 0.000 0.231 190 S C 0.415 175.135 174.600 0.199 0.000 0.994 190 S CA 0.290 58.594 58.200 0.173 0.000 0.956 190 S CB 0.121 63.512 63.200 0.318 0.000 0.870 190 S HN 0.536 nan 8.310 nan 0.000 0.494 191 M N -0.951 118.742 119.600 0.155 0.000 2.862 191 M HA -0.214 4.264 4.480 -0.003 0.000 0.169 191 M C -0.079 176.313 176.300 0.153 0.000 0.663 191 M CA 0.588 55.964 55.300 0.126 0.000 0.641 191 M CB -1.388 31.252 32.600 0.066 0.000 2.326 191 M HN 0.283 nan 8.290 nan 0.000 0.289 192 L N 1.670 123.036 121.223 0.239 0.000 2.727 192 L HA 0.525 4.864 4.340 -0.003 0.000 0.237 192 L C 0.273 177.238 176.870 0.158 0.000 1.370 192 L CA 0.599 55.535 54.840 0.160 0.000 1.248 192 L CB 0.061 42.159 42.059 0.065 0.000 1.556 192 L HN 0.276 nan 8.230 nan 0.000 0.420 193 S N 0.676 116.463 115.700 0.144 0.000 2.560 193 S HA 0.332 4.800 4.470 -0.003 0.000 0.283 193 S C -0.079 174.605 174.600 0.139 0.000 1.141 193 S CA -0.637 57.631 58.200 0.114 0.000 0.902 193 S CB 0.403 63.650 63.200 0.079 0.000 1.104 193 S HN 0.295 nan 8.310 nan 0.000 0.454 194 F N 1.691 121.568 119.950 -0.121 0.000 2.639 194 F HA 0.564 5.089 4.527 -0.003 0.000 0.300 194 F C 0.382 176.097 175.800 -0.142 0.000 1.109 194 F CA -0.623 57.245 58.000 -0.220 0.000 1.335 194 F CB 0.038 38.618 39.000 -0.700 0.000 1.014 194 F HN 0.460 nan 8.300 nan 0.000 0.537 195 D N 0.323 120.566 120.400 -0.262 0.000 2.511 195 D HA 0.327 4.965 4.640 -0.003 0.000 0.276 195 D C -0.848 175.442 176.300 -0.016 0.000 1.220 195 D CA -0.670 53.244 54.000 -0.144 0.000 1.077 195 D CB 1.957 42.647 40.800 -0.184 0.000 1.126 195 D HN 0.190 nan 8.370 nan 0.000 0.583 196 C N 1.035 120.338 119.300 0.004 0.000 3.027 196 C HA 0.640 5.098 4.460 -0.003 0.000 0.350 196 C C -1.212 173.797 174.990 0.033 0.000 1.042 196 C CA -0.245 58.793 59.018 0.034 0.000 1.350 196 C CB -1.006 26.764 27.740 0.049 0.000 1.809 196 C HN 0.420 nan 8.230 nan 0.000 0.513 197 S N 5.071 120.797 115.700 0.043 0.000 2.578 197 S HA 0.669 5.137 4.470 -0.003 0.000 0.285 197 S C -1.800 172.840 174.600 0.066 0.000 1.126 197 S CA -0.508 57.720 58.200 0.047 0.000 0.878 197 S CB 0.980 64.194 63.200 0.023 0.000 1.091 197 S HN 0.994 nan 8.310 nan 0.000 0.450 198 N N 3.118 121.864 118.700 0.076 0.000 2.416 198 N HA 0.469 5.207 4.740 -0.003 0.000 0.276 198 N C -2.835 172.692 175.510 0.028 0.000 1.261 198 N CA -1.566 51.528 53.050 0.073 0.000 0.790 198 N CB 1.421 39.968 38.487 0.100 0.000 1.554 198 N HN 0.257 nan 8.380 nan 0.000 0.481 199 P HA -0.060 nan 4.420 nan 0.000 0.215 199 P C 1.594 178.820 177.300 -0.123 0.000 1.153 199 P CA 0.781 63.837 63.100 -0.072 0.000 0.853 199 P CB 0.296 31.994 31.700 -0.004 0.000 0.788 200 L N -2.877 118.248 121.223 -0.164 0.000 2.093 200 L HA -0.059 4.280 4.340 -0.003 0.000 0.208 200 L C 2.003 178.571 176.870 -0.503 0.000 1.085 200 L CA 1.893 56.489 54.840 -0.407 0.000 0.755 200 L CB -1.216 40.471 42.059 -0.619 0.000 0.904 200 L HN -0.000 nan 8.230 nan 0.000 0.435 201 F N -2.331 117.616 119.950 -0.005 0.000 2.784 201 F HA 0.480 5.006 4.527 -0.002 0.000 0.316 201 F C 1.344 177.135 175.800 -0.015 0.000 1.026 201 F CA 0.240 58.238 58.000 -0.004 0.000 1.188 201 F CB 0.586 39.589 39.000 0.005 0.000 0.999 201 F HN 0.076 nan 8.300 nan 0.000 0.605 202 G N 1.069 109.955 108.800 0.142 0.000 2.483 202 G HA2 -0.161 3.798 3.960 -0.003 0.000 0.521 202 G HA3 -0.161 3.798 3.960 -0.003 0.000 0.521 202 G C -1.208 173.730 174.900 0.063 0.000 1.278 202 G CA -0.965 44.176 45.100 0.069 0.000 0.965 202 G HN 0.148 nan 8.290 nan 0.000 0.504 203 Q N -0.192 119.627 119.800 0.031 0.000 2.256 203 Q HA 0.620 4.958 4.340 -0.003 0.000 0.254 203 Q C 0.138 176.150 176.000 0.020 0.000 0.916 203 Q CA -0.122 55.694 55.803 0.022 0.000 0.932 203 Q CB 0.799 29.540 28.738 0.005 0.000 1.207 203 Q HN 0.656 nan 8.270 nan 0.000 0.426 204 T N 4.203 118.771 114.554 0.024 0.000 2.882 204 T HA 0.515 4.863 4.350 -0.003 0.000 0.287 204 T C -0.342 174.374 174.700 0.026 0.000 0.992 204 T CA -0.317 61.796 62.100 0.021 0.000 1.076 204 T CB 0.670 69.555 68.868 0.028 0.000 0.961 204 T HN 0.567 nan 8.240 nan 0.000 0.490 205 M N 2.455 122.071 119.600 0.027 0.000 2.591 205 M HA 0.346 4.824 4.480 -0.003 0.000 0.306 205 M C 0.274 176.612 176.300 0.063 0.000 1.190 205 M CA -0.845 54.476 55.300 0.035 0.000 0.889 205 M CB 1.724 34.335 32.600 0.018 0.000 1.728 205 M HN 0.437 nan 8.290 nan 0.000 0.458 206 N N 3.245 121.995 118.700 0.083 0.000 2.412 206 N HA 0.036 4.774 4.740 -0.003 0.000 0.258 206 N C -1.849 173.748 175.510 0.144 0.000 1.236 206 N CA -0.414 52.718 53.050 0.137 0.000 0.882 206 N CB 0.969 39.533 38.487 0.128 0.000 1.066 206 N HN 0.378 nan 8.380 nan 0.000 0.465 207 P HA -0.004 nan 4.420 nan 0.000 0.236 207 P C 0.592 177.936 177.300 0.074 0.000 1.177 207 P CA 0.831 63.995 63.100 0.107 0.000 0.773 207 P CB 0.080 31.831 31.700 0.086 0.000 0.878 208 W N 0.853 122.157 121.300 0.007 0.000 2.630 208 W HA 0.274 4.933 4.660 -0.003 0.000 0.271 208 W C 0.934 177.447 176.519 -0.010 0.000 1.244 208 W CA 0.481 57.826 57.345 0.001 0.000 1.353 208 W CB 0.316 29.779 29.460 0.006 0.000 1.080 208 W HN -0.171 nan 8.180 nan 0.000 0.594 209 K N -0.477 120.047 120.400 0.206 0.000 2.651 209 K HA 0.199 4.518 4.320 -0.003 0.000 0.259 209 K C 0.279 176.915 176.600 0.060 0.000 1.017 209 K CA -0.088 56.260 56.287 0.101 0.000 0.897 209 K CB 1.326 33.874 32.500 0.080 0.000 1.262 209 K HN -0.358 nan 8.250 nan 0.000 0.460 210 S N 0.597 116.317 115.700 0.033 0.000 2.555 210 S HA -0.095 4.373 4.470 -0.003 0.000 0.230 210 S C 1.334 175.937 174.600 0.005 0.000 0.978 210 S CA 1.200 59.411 58.200 0.018 0.000 0.934 210 S CB -0.016 63.186 63.200 0.004 0.000 0.766 210 S HN 0.706 nan 8.310 nan 0.000 0.533 211 S N 0.217 115.916 115.700 -0.001 0.000 2.575 211 S HA 0.217 4.686 4.470 -0.003 0.000 0.215 211 S C 0.409 174.992 174.600 -0.029 0.000 0.966 211 S CA -0.270 57.921 58.200 -0.015 0.000 0.911 211 S CB 0.153 63.342 63.200 -0.019 0.000 0.780 211 S HN 0.012 nan 8.310 nan 0.000 0.514 212 K N 1.749 122.136 120.400 -0.022 0.000 2.095 212 K HA 0.455 4.773 4.320 -0.003 0.000 0.252 212 K C -0.179 176.405 176.600 -0.027 0.000 0.977 212 K CA -0.488 55.769 56.287 -0.050 0.000 0.900 212 K CB 1.424 33.885 32.500 -0.065 0.000 1.060 212 K HN 0.157 nan 8.250 nan 0.000 0.449 213 S N 2.025 117.696 115.700 -0.048 0.000 2.565 213 S HA 0.192 4.660 4.470 -0.003 0.000 0.276 213 S C -1.680 172.992 174.600 0.120 0.000 1.326 213 S CA -1.272 56.941 58.200 0.022 0.000 1.045 213 S CB 0.421 63.629 63.200 0.013 0.000 0.918 213 S HN 0.296 nan 8.310 nan 0.000 0.505 214 P HA 0.247 nan 4.420 nan 0.000 0.253 214 P C 0.695 178.183 177.300 0.313 0.000 1.260 214 P CA 0.447 63.679 63.100 0.221 0.000 0.800 214 P CB -0.650 31.137 31.700 0.144 0.000 1.162 215 G N -0.959 108.096 108.800 0.424 0.000 2.698 215 G HA2 0.265 4.224 3.960 -0.003 0.000 0.225 215 G HA3 0.265 4.224 3.960 -0.003 0.000 0.225 215 G C -0.398 174.594 174.900 0.154 0.000 1.345 215 G CA -0.597 44.664 45.100 0.268 0.000 0.871 215 G HN 0.610 nan 8.290 nan 0.000 0.540 216 G N -2.613 106.274 108.800 0.144 0.000 2.338 216 G HA2 0.673 4.632 3.960 -0.003 0.000 0.295 216 G HA3 0.673 4.632 3.960 -0.003 0.000 0.295 216 G C 0.600 175.626 174.900 0.209 0.000 1.461 216 G CA 0.873 46.057 45.100 0.140 0.000 0.817 216 G HN 2.199 nan 8.290 nan 0.000 0.556 217 S N -1.246 114.554 115.700 0.167 0.000 2.603 217 S HA 0.130 4.598 4.470 -0.003 0.000 0.220 217 S C 1.125 175.775 174.600 0.083 0.000 0.967 217 S CA 0.963 59.229 58.200 0.110 0.000 0.920 217 S CB 0.085 63.343 63.200 0.097 0.000 0.773 217 S HN 0.773 nan 8.310 nan 0.000 0.529 218 S N 1.353 117.107 115.700 0.089 0.000 2.596 218 S HA 0.401 4.869 4.470 -0.003 0.000 0.248 218 S C 1.503 176.146 174.600 0.071 0.000 1.162 218 S CA -0.208 58.037 58.200 0.076 0.000 1.185 218 S CB 0.204 63.454 63.200 0.083 0.000 0.833 218 S HN 0.634 nan 8.310 nan 0.000 0.472 219 G N 2.308 111.153 108.800 0.074 0.000 2.402 219 G HA2 -0.057 3.902 3.960 -0.003 0.000 0.216 219 G HA3 -0.057 3.902 3.960 -0.003 0.000 0.216 219 G C 1.412 176.350 174.900 0.064 0.000 1.162 219 G CA 0.569 45.718 45.100 0.082 0.000 0.777 219 G HN 0.590 nan 8.290 nan 0.000 0.539 220 G N 0.694 109.517 108.800 0.038 0.000 2.505 220 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.220 220 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.220 220 G C 1.670 176.577 174.900 0.012 0.000 1.145 220 G CA 1.319 46.426 45.100 0.011 0.000 0.761 220 G HN 0.344 nan 8.290 nan 0.000 0.571 221 E N 0.516 120.730 120.200 0.023 0.000 2.058 221 E HA -0.081 4.268 4.350 -0.003 0.000 0.194 221 E C 2.785 179.410 176.600 0.043 0.000 0.997 221 E CA 1.188 57.603 56.400 0.024 0.000 0.801 221 E CB -0.958 28.764 29.700 0.036 0.000 0.746 221 E HN 0.354 nan 8.360 nan 0.000 0.450 222 G N 0.458 109.295 108.800 0.062 0.000 2.403 222 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.216 222 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.216 222 G C 1.701 176.667 174.900 0.109 0.000 1.154 222 G CA 1.010 46.161 45.100 0.085 0.000 0.784 222 G HN 0.392 nan 8.290 nan 0.000 0.538 223 A N 0.274 123.152 122.820 0.097 0.000 1.930 223 A HA 0.125 4.443 4.320 -0.003 0.000 0.217 223 A C 2.297 179.930 177.584 0.082 0.000 1.175 223 A CA 1.522 53.619 52.037 0.100 0.000 0.627 223 A CB -0.313 18.731 19.000 0.073 0.000 0.815 223 A HN 0.394 nan 8.150 nan 0.000 0.443 224 L N -0.426 120.831 121.223 0.058 0.000 2.095 224 L HA 0.060 4.398 4.340 -0.003 0.000 0.204 224 L C 2.167 179.092 176.870 0.092 0.000 1.080 224 L CA 1.458 56.332 54.840 0.056 0.000 0.759 224 L CB -0.364 41.705 42.059 0.017 0.000 0.914 224 L HN 0.402 nan 8.230 nan 0.000 0.439 225 I N -0.268 120.356 120.570 0.090 0.000 2.162 225 I HA -0.063 4.106 4.170 -0.003 0.000 0.238 225 I C 1.420 177.614 176.117 0.129 0.000 1.076 225 I CA 0.718 62.081 61.300 0.104 0.000 1.353 225 I CB -1.007 37.037 38.000 0.073 0.000 1.063 225 I HN 0.334 nan 8.210 nan 0.000 0.408 226 G N 0.173 109.063 108.800 0.151 0.000 2.414 226 G HA2 0.156 4.114 3.960 -0.003 0.000 0.236 226 G HA3 0.156 4.114 3.960 -0.003 0.000 0.236 226 G C 0.859 175.848 174.900 0.149 0.000 1.293 226 G CA 0.453 45.678 45.100 0.208 0.000 0.869 226 G HN 0.654 nan 8.290 nan 0.000 0.556 227 S N -0.130 115.624 115.700 0.090 0.000 3.146 227 S HA -0.124 4.344 4.470 -0.003 0.000 0.285 227 S C 1.926 176.548 174.600 0.038 0.000 1.293 227 S CA 1.370 59.571 58.200 0.002 0.000 1.137 227 S CB -1.603 61.578 63.200 -0.032 0.000 1.357 227 S HN 3.034 nan 8.310 nan 0.000 0.678 228 G N -0.097 108.760 108.800 0.094 0.000 2.147 228 G HA2 0.005 3.963 3.960 -0.003 0.000 0.244 228 G HA3 0.005 3.963 3.960 -0.003 0.000 0.244 228 G C 1.186 176.205 174.900 0.199 0.000 1.005 228 G CA 0.746 45.925 45.100 0.132 0.000 0.713 228 G HN 1.954 nan 8.290 nan 0.000 0.515 229 G N -0.968 107.958 108.800 0.211 0.000 2.985 229 G HA2 0.460 4.418 3.960 -0.003 0.000 0.209 229 G HA3 0.460 4.418 3.960 -0.003 0.000 0.209 229 G C 0.485 175.667 174.900 0.470 0.000 1.165 229 G CA 1.414 46.685 45.100 0.286 0.000 0.776 229 G HN 1.666 nan 8.290 nan 0.000 0.541 230 S N -0.586 115.333 115.700 0.366 0.000 2.548 230 S HA 0.496 4.964 4.470 -0.003 0.000 0.278 230 S C -2.474 172.116 174.600 -0.017 0.000 1.150 230 S CA -0.806 57.470 58.200 0.127 0.000 0.907 230 S CB 2.358 65.654 63.200 0.160 0.000 1.108 230 S HN -0.106 nan 8.310 nan 0.000 0.459 231 P HA 0.262 nan 4.420 nan 0.000 0.235 231 P C -0.175 177.076 177.300 -0.082 0.000 1.177 231 P CA 0.200 63.204 63.100 -0.161 0.000 0.785 231 P CB 0.080 31.596 31.700 -0.307 0.000 0.885 232 L N -1.030 120.144 121.223 -0.083 0.000 2.592 232 L HA 0.768 5.107 4.340 -0.003 0.000 0.258 232 L C -1.092 175.746 176.870 -0.052 0.000 0.926 232 L CA -0.575 54.227 54.840 -0.063 0.000 0.885 232 L CB 1.779 43.788 42.059 -0.083 0.000 1.380 232 L HN 0.003 nan 8.230 nan 0.000 0.415 233 G N 2.889 111.657 108.800 -0.053 0.000 2.695 233 G HA2 0.683 4.641 3.960 -0.003 0.000 0.290 233 G HA3 0.683 4.641 3.960 -0.003 0.000 0.290 233 G C -2.403 172.442 174.900 -0.091 0.000 1.410 233 G CA -0.657 44.401 45.100 -0.070 0.000 0.844 233 G HN 0.562 nan 8.290 nan 0.000 0.478 234 L N 0.520 121.657 121.223 -0.143 0.000 2.356 234 L HA 0.792 5.130 4.340 -0.003 0.000 0.277 234 L C 0.651 177.522 176.870 0.001 0.000 0.996 234 L CA 0.057 54.772 54.840 -0.209 0.000 0.822 234 L CB 1.892 43.587 42.059 -0.607 0.000 1.256 234 L HN 0.881 nan 8.230 nan 0.000 0.413 235 G N 0.777 109.681 108.800 0.174 0.000 3.140 235 G HA2 0.797 4.755 3.960 -0.003 0.000 0.271 235 G HA3 0.797 4.755 3.960 -0.003 0.000 0.271 235 G C -1.149 173.955 174.900 0.341 0.000 1.370 235 G CA -0.175 45.114 45.100 0.315 0.000 1.014 235 G HN 0.524 nan 8.290 nan 0.000 0.541 236 T N -2.109 112.546 114.554 0.169 0.000 2.903 236 T HA 0.649 4.997 4.350 -0.003 0.000 0.299 236 T C -1.995 172.730 174.700 0.042 0.000 1.093 236 T CA -0.752 61.392 62.100 0.073 0.000 1.002 236 T CB 2.674 71.505 68.868 -0.063 0.000 1.127 236 T HN 0.475 nan 8.240 nan 0.000 0.488 237 D N 1.299 121.712 120.400 0.023 0.000 2.616 237 D HA 0.286 4.925 4.640 -0.003 0.000 0.238 237 D C -0.321 175.975 176.300 -0.007 0.000 1.354 237 D CA -0.531 53.473 54.000 0.006 0.000 0.970 237 D CB 1.779 42.573 40.800 -0.009 0.000 1.369 237 D HN 0.647 nan 8.370 nan 0.000 0.585 238 I N 1.947 122.509 120.570 -0.013 0.000 4.082 238 I HA 0.297 4.466 4.170 -0.003 0.000 0.337 238 I C 0.985 177.072 176.117 -0.050 0.000 1.352 238 I CA 0.236 61.515 61.300 -0.035 0.000 1.097 238 I CB 0.644 38.616 38.000 -0.047 0.000 1.048 238 I HN 0.511 nan 8.210 nan 0.000 0.393 239 G N -0.701 108.081 108.800 -0.031 0.000 3.912 239 G HA2 0.275 4.233 3.960 -0.003 0.000 0.203 239 G HA3 0.275 4.233 3.960 -0.003 0.000 0.203 239 G C 0.732 175.622 174.900 -0.016 0.000 1.112 239 G CA 0.492 45.574 45.100 -0.030 0.000 0.871 239 G HN 0.333 nan 8.290 nan 0.000 0.549 240 G N 0.006 108.763 108.800 -0.070 0.000 2.559 240 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.202 240 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.202 240 G C 1.085 175.877 174.900 -0.180 0.000 0.992 240 G CA 0.763 45.662 45.100 -0.336 0.000 0.764 240 G HN 0.381 nan 8.290 nan 0.000 0.525 241 S N -0.147 115.576 115.700 0.038 0.000 2.474 241 S HA 0.147 4.615 4.470 -0.003 0.000 0.235 241 S C 2.151 176.787 174.600 0.060 0.000 0.997 241 S CA 1.101 59.375 58.200 0.123 0.000 0.949 241 S CB -0.075 63.185 63.200 0.100 0.000 0.766 241 S HN 0.500 nan 8.310 nan 0.000 0.517 242 I N 0.308 120.873 120.570 -0.008 0.000 2.585 242 I HA 0.006 4.175 4.170 -0.003 0.000 0.254 242 I C 2.410 178.482 176.117 -0.075 0.000 1.129 242 I CA 0.714 62.005 61.300 -0.015 0.000 1.455 242 I CB 0.053 38.048 38.000 -0.008 0.000 1.111 242 I HN 0.106 nan 8.210 nan 0.000 0.433 243 R N -0.381 120.008 120.500 -0.185 0.000 2.127 243 R HA 0.018 4.356 4.340 -0.003 0.000 0.217 243 R C 2.160 178.231 176.300 -0.381 0.000 1.074 243 R CA 0.907 56.836 56.100 -0.285 0.000 0.991 243 R CB -0.186 29.893 30.300 -0.369 0.000 0.895 243 R HN 0.137 nan 8.270 nan 0.000 0.450 244 F N 1.149 120.935 119.950 -0.274 0.000 2.046 244 F HA -0.099 4.426 4.527 -0.003 0.000 0.297 244 F C -0.604 174.877 175.800 -0.530 0.000 1.123 244 F CA 1.101 58.760 58.000 -0.568 0.000 1.199 244 F CB -1.640 37.030 39.000 -0.551 0.000 0.972 244 F HN -0.004 nan 8.300 nan 0.000 0.474 245 P HA -0.053 nan 4.420 nan 0.000 0.221 245 P C 1.658 178.978 177.300 0.033 0.000 1.150 245 P CA 1.549 64.665 63.100 0.027 0.000 0.800 245 P CB -0.022 31.715 31.700 0.061 0.000 0.787 246 S N 0.040 115.731 115.700 -0.015 0.000 2.348 246 S HA -0.159 4.309 4.470 -0.003 0.000 0.221 246 S C 2.098 176.694 174.600 -0.007 0.000 1.033 246 S CA 1.573 59.766 58.200 -0.011 0.000 1.010 246 S CB -1.164 62.012 63.200 -0.040 0.000 0.891 246 S HN 0.144 nan 8.310 nan 0.000 0.442 247 A N 0.855 123.653 122.820 -0.038 0.000 1.933 247 A HA -0.032 4.287 4.320 -0.003 0.000 0.218 247 A C 1.775 179.483 177.584 0.206 0.000 1.175 247 A CA 1.342 53.400 52.037 0.034 0.000 0.628 247 A CB -0.623 18.384 19.000 0.011 0.000 0.814 247 A HN 0.476 nan 8.150 nan 0.000 0.444 248 F N -1.117 118.836 119.950 0.005 0.000 2.416 248 F HA 0.023 4.548 4.527 -0.003 0.000 0.296 248 F C 2.068 177.805 175.800 -0.105 0.000 1.099 248 F CA -0.278 57.707 58.000 -0.025 0.000 1.427 248 F CB -0.886 38.148 39.000 0.057 0.000 1.079 248 F HN 0.237 nan 8.300 nan 0.000 0.536 249 C N -0.757 118.617 119.300 0.123 0.000 3.038 249 C HA 0.545 5.003 4.460 -0.003 0.000 0.279 249 C C 1.682 176.672 174.990 -0.000 0.000 1.276 249 C CA 0.091 59.149 59.018 0.067 0.000 1.697 249 C CB -0.610 27.242 27.740 0.186 0.000 2.032 249 C HN 0.656 nan 8.230 nan 0.000 0.636 250 G N 2.281 111.039 108.800 -0.070 0.000 2.225 250 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.264 250 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.264 250 G C -0.174 174.746 174.900 0.033 0.000 1.060 250 G CA 0.686 45.731 45.100 -0.092 0.000 0.833 250 G HN 0.741 nan 8.290 nan 0.000 0.498 251 I N -3.436 117.162 120.570 0.047 0.000 3.217 251 I HA 0.829 4.997 4.170 -0.003 0.000 0.308 251 I C 0.791 176.918 176.117 0.015 0.000 1.091 251 I CA -1.645 59.686 61.300 0.052 0.000 1.013 251 I CB 1.324 39.369 38.000 0.074 0.000 1.250 251 I HN 0.048 nan 8.210 nan 0.000 0.496 252 C N 1.373 120.681 119.300 0.013 0.000 2.405 252 C HA 0.882 5.340 4.460 -0.003 0.000 0.365 252 C C 0.561 175.544 174.990 -0.011 0.000 1.233 252 C CA -0.065 58.949 59.018 -0.007 0.000 2.230 252 C CB 0.161 27.899 27.740 -0.003 0.000 2.443 252 C HN 0.994 nan 8.230 nan 0.000 0.556 253 G N 1.228 110.014 108.800 -0.025 0.000 2.746 253 G HA2 0.578 4.537 3.960 -0.003 0.000 0.297 253 G HA3 0.578 4.537 3.960 -0.003 0.000 0.297 253 G C -1.916 172.968 174.900 -0.026 0.000 1.426 253 G CA -0.388 44.698 45.100 -0.024 0.000 0.989 253 G HN 0.732 nan 8.290 nan 0.000 0.520 254 L N 1.041 122.255 121.223 -0.014 0.000 2.313 254 L HA 0.709 5.047 4.340 -0.003 0.000 0.283 254 L C 0.067 176.936 176.870 -0.001 0.000 1.013 254 L CA -0.838 53.998 54.840 -0.006 0.000 0.816 254 L CB 1.573 43.637 42.059 0.009 0.000 1.236 254 L HN 0.421 nan 8.230 nan 0.000 0.419 255 K N 7.167 127.562 120.400 -0.008 0.000 2.266 255 K HA 0.462 4.780 4.320 -0.003 0.000 0.274 255 K C -2.483 174.120 176.600 0.004 0.000 1.090 255 K CA -1.763 54.525 56.287 0.001 0.000 0.925 255 K CB 0.875 33.369 32.500 -0.010 0.000 1.225 255 K HN 0.409 nan 8.250 nan 0.000 0.458 256 P HA 0.010 nan 4.420 nan 0.000 0.274 256 P C -0.667 176.599 177.300 -0.055 0.000 1.264 256 P CA -0.298 62.800 63.100 -0.003 0.000 0.795 256 P CB 0.294 32.013 31.700 0.033 0.000 1.064 257 T N 0.360 114.824 114.554 -0.149 0.000 2.933 257 T HA 0.075 4.423 4.350 -0.003 0.000 0.306 257 T C 1.891 176.468 174.700 -0.204 0.000 1.045 257 T CA 0.716 62.629 62.100 -0.312 0.000 1.143 257 T CB -0.052 68.346 68.868 -0.784 0.000 1.003 257 T HN 0.594 nan 8.240 nan 0.000 0.540 258 G N 2.364 111.064 108.800 -0.166 0.000 2.732 258 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.222 258 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.222 258 G C 1.123 176.020 174.900 -0.006 0.000 1.203 258 G CA 1.068 46.128 45.100 -0.066 0.000 0.780 258 G HN 0.818 nan 8.290 nan 0.000 0.621 259 N N -0.214 118.489 118.700 0.005 0.000 2.313 259 N HA 0.050 4.788 4.740 -0.003 0.000 0.207 259 N C 1.970 177.653 175.510 0.289 0.000 1.141 259 N CA -0.287 52.864 53.050 0.168 0.000 0.830 259 N CB 0.078 38.721 38.487 0.260 0.000 1.008 259 N HN 0.075 nan 8.380 nan 0.000 0.481 260 R N 0.206 120.833 120.500 0.212 0.000 2.148 260 R HA 0.194 4.532 4.340 -0.003 0.000 0.223 260 R C 0.043 176.505 176.300 0.270 0.000 1.088 260 R CA 0.988 57.283 56.100 0.326 0.000 0.985 260 R CB 0.081 30.512 30.300 0.217 0.000 0.880 260 R HN 0.182 nan 8.270 nan 0.000 0.451 261 L N -1.389 119.951 121.223 0.196 0.000 2.303 261 L HA 0.407 4.745 4.340 -0.003 0.000 0.256 261 L C -0.306 176.660 176.870 0.159 0.000 1.034 261 L CA -1.134 53.810 54.840 0.174 0.000 0.832 261 L CB 1.945 44.085 42.059 0.134 0.000 1.403 261 L HN -0.165 nan 8.230 nan 0.000 0.419 262 S N -0.082 115.705 115.700 0.145 0.000 2.545 262 S HA 0.266 4.734 4.470 -0.003 0.000 0.275 262 S C 0.161 174.838 174.600 0.128 0.000 1.299 262 S CA -0.311 57.967 58.200 0.130 0.000 1.048 262 S CB 0.599 63.867 63.200 0.114 0.000 0.938 262 S HN 0.617 nan 8.310 nan 0.000 0.496 263 K N 3.009 123.471 120.400 0.104 0.000 2.514 263 K HA 0.196 4.514 4.320 -0.003 0.000 0.207 263 K C 1.386 178.025 176.600 0.064 0.000 1.035 263 K CA -0.161 56.177 56.287 0.085 0.000 1.113 263 K CB 0.242 32.783 32.500 0.068 0.000 0.846 263 K HN 0.530 nan 8.250 nan 0.000 0.491 264 S N 0.299 116.040 115.700 0.069 0.000 2.345 264 S HA -0.083 4.385 4.470 -0.003 0.000 0.220 264 S C 1.512 176.128 174.600 0.027 0.000 1.031 264 S CA 1.455 59.679 58.200 0.041 0.000 0.996 264 S CB 0.021 63.247 63.200 0.045 0.000 0.882 264 S HN 0.532 nan 8.310 nan 0.000 0.445 265 G N 0.835 109.667 108.800 0.053 0.000 3.814 265 G HA2 0.453 4.411 3.960 -0.003 0.000 0.293 265 G HA3 0.453 4.411 3.960 -0.003 0.000 0.293 265 G C -0.592 174.344 174.900 0.060 0.000 1.243 265 G CA -0.319 44.812 45.100 0.052 0.000 1.053 265 G HN 0.309 nan 8.290 nan 0.000 0.562 266 L N 0.838 122.080 121.223 0.032 0.000 2.257 266 L HA 0.407 4.745 4.340 -0.003 0.000 0.290 266 L C 0.325 177.223 176.870 0.047 0.000 1.044 266 L CA -0.691 54.131 54.840 -0.030 0.000 0.810 266 L CB 1.551 43.561 42.059 -0.082 0.000 1.193 266 L HN -0.030 nan 8.230 nan 0.000 0.425 267 K N 2.573 122.990 120.400 0.028 0.000 2.349 267 K HA 0.578 4.897 4.320 -0.003 0.000 0.288 267 K C -0.095 176.534 176.600 0.048 0.000 1.058 267 K CA 0.081 56.432 56.287 0.106 0.000 0.953 267 K CB 0.695 33.231 32.500 0.059 0.000 0.997 267 K HN 0.652 nan 8.250 nan 0.000 0.477 268 G N 1.672 110.520 108.800 0.080 0.000 2.574 268 G HA2 0.277 4.235 3.960 -0.003 0.000 0.299 268 G HA3 0.277 4.235 3.960 -0.003 0.000 0.299 268 G C 0.516 175.157 174.900 -0.431 0.000 1.298 268 G CA -0.557 44.453 45.100 -0.150 0.000 0.952 268 G HN 0.888 nan 8.290 nan 0.000 0.477 269 C N -0.565 118.563 119.300 -0.286 0.000 2.533 269 C HA 0.458 4.917 4.460 -0.003 0.000 0.272 269 C C 0.953 175.741 174.990 -0.337 0.000 1.371 269 C CA 0.150 58.995 59.018 -0.288 0.000 1.758 269 C CB -0.965 26.677 27.740 -0.162 0.000 1.972 269 C HN 0.681 nan 8.230 nan 0.000 0.522 270 V N 1.020 120.760 119.914 -0.290 0.000 2.540 270 V HA 0.717 4.836 4.120 -0.003 0.000 0.302 270 V C -1.695 174.245 176.094 -0.257 0.000 1.035 270 V CA -0.561 61.606 62.300 -0.220 0.000 0.873 270 V CB 1.459 33.315 31.823 0.055 0.000 0.992 270 V HN 0.402 nan 8.190 nan 0.000 0.428 271 Y N 4.173 124.507 120.300 0.057 0.000 2.509 271 Y HA 0.811 5.359 4.550 -0.003 0.000 0.341 271 Y C 1.293 177.219 175.900 0.044 0.000 1.038 271 Y CA -0.153 57.972 58.100 0.041 0.000 1.089 271 Y CB 2.244 40.725 38.460 0.033 0.000 1.241 271 Y HN 1.040 nan 8.280 nan 0.000 0.468 272 G N 0.481 109.416 108.800 0.224 0.000 2.217 272 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.246 272 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.246 272 G C 0.242 175.206 174.900 0.106 0.000 0.990 272 G CA -0.036 45.149 45.100 0.141 0.000 0.627 272 G HN 0.613 nan 8.290 nan 0.000 0.522 273 Q N 1.526 121.381 119.800 0.092 0.000 2.262 273 Q HA 0.364 4.703 4.340 -0.003 0.000 0.272 273 Q C 1.351 177.380 176.000 0.049 0.000 1.076 273 Q CA 1.248 57.086 55.803 0.059 0.000 0.905 273 Q CB 0.528 29.284 28.738 0.029 0.000 1.182 273 Q HN 0.560 nan 8.270 nan 0.000 0.390 274 T N 0.131 114.715 114.554 0.050 0.000 2.971 274 T HA 0.391 4.739 4.350 -0.003 0.000 0.252 274 T C 0.538 175.255 174.700 0.028 0.000 1.022 274 T CA 0.200 62.327 62.100 0.045 0.000 0.980 274 T CB 0.485 69.387 68.868 0.057 0.000 1.044 274 T HN 0.521 nan 8.240 nan 0.000 0.501 275 A N 1.923 124.756 122.820 0.020 0.000 2.309 275 A HA 0.665 4.983 4.320 -0.003 0.000 0.298 275 A C 0.221 177.785 177.584 -0.034 0.000 1.165 275 A CA -0.559 51.478 52.037 -0.001 0.000 0.821 275 A CB 0.055 19.058 19.000 0.004 0.000 1.102 275 A HN 0.967 nan 8.150 nan 0.000 0.500 276 V N 2.369 122.252 119.914 -0.050 0.000 3.478 276 V HA -0.153 3.965 4.120 -0.003 0.000 0.490 276 V C -0.483 175.583 176.094 -0.048 0.000 0.682 276 V CA 0.569 62.827 62.300 -0.071 0.000 2.029 276 V CB -1.383 30.373 31.823 -0.111 0.000 2.466 276 V HN 0.980 nan 8.190 nan 0.000 0.504 277 Q N 3.490 123.266 119.800 -0.039 0.000 2.325 277 Q HA 0.580 4.918 4.340 -0.003 0.000 0.262 277 Q C -0.186 175.802 176.000 -0.019 0.000 0.968 277 Q CA -1.004 54.786 55.803 -0.020 0.000 0.877 277 Q CB 2.404 31.130 28.738 -0.020 0.000 1.253 277 Q HN 0.723 nan 8.270 nan 0.000 0.448 278 L N 2.379 123.598 121.223 -0.007 0.000 2.453 278 L HA 0.115 4.453 4.340 -0.003 0.000 0.272 278 L C -0.559 176.316 176.870 0.009 0.000 1.182 278 L CA 0.916 55.756 54.840 -0.001 0.000 0.858 278 L CB 0.529 42.594 42.059 0.009 0.000 1.120 278 L HN 0.545 nan 8.230 nan 0.000 0.474 279 S N 4.950 120.657 115.700 0.012 0.000 2.627 279 S HA 0.807 5.275 4.470 -0.003 0.000 0.283 279 S C -0.920 173.713 174.600 0.055 0.000 1.127 279 S CA -0.810 57.407 58.200 0.029 0.000 0.863 279 S CB 1.754 64.961 63.200 0.012 0.000 1.121 279 S HN 0.724 nan 8.310 nan 0.000 0.479 280 L N -1.125 120.155 121.223 0.094 0.000 2.354 280 L HA 1.102 5.440 4.340 -0.003 0.000 0.264 280 L C -0.185 176.762 176.870 0.128 0.000 1.008 280 L CA -0.396 54.541 54.840 0.161 0.000 0.819 280 L CB 1.720 43.950 42.059 0.284 0.000 1.339 280 L HN 0.896 nan 8.230 nan 0.000 0.420 281 G N 0.557 109.430 108.800 0.122 0.000 2.495 281 G HA2 0.566 4.525 3.960 -0.003 0.000 0.294 281 G HA3 0.566 4.525 3.960 -0.003 0.000 0.294 281 G C -3.380 171.535 174.900 0.025 0.000 1.397 281 G CA -0.837 44.298 45.100 0.058 0.000 0.790 281 G HN 0.549 nan 8.290 nan 0.000 0.486 282 P HA 0.525 nan 4.420 nan 0.000 0.276 282 P C -0.846 176.443 177.300 -0.019 0.000 1.244 282 P CA -0.215 62.866 63.100 -0.032 0.000 0.801 282 P CB 1.310 32.981 31.700 -0.048 0.000 1.006 283 M N 1.270 120.856 119.600 -0.023 0.000 2.326 283 M HA 0.669 5.148 4.480 -0.003 0.000 0.292 283 M C -0.698 175.597 176.300 -0.008 0.000 1.081 283 M CA -0.289 55.006 55.300 -0.009 0.000 0.919 283 M CB 2.630 35.233 32.600 0.004 0.000 1.634 283 M HN 0.499 nan 8.290 nan 0.000 0.451 284 A N 2.127 124.949 122.820 0.003 0.000 2.557 284 A HA 0.657 4.975 4.320 -0.003 0.000 0.292 284 A C -0.354 177.249 177.584 0.033 0.000 1.139 284 A CA -0.703 51.341 52.037 0.012 0.000 0.665 284 A CB 1.460 20.457 19.000 -0.004 0.000 1.285 284 A HN 0.894 nan 8.150 nan 0.000 0.433 285 R N -0.404 120.123 120.500 0.046 0.000 2.276 285 R HA 0.120 4.458 4.340 -0.003 0.000 0.196 285 R C -0.847 175.483 176.300 0.051 0.000 0.961 285 R CA 1.304 57.442 56.100 0.063 0.000 1.024 285 R CB -0.000 30.349 30.300 0.082 0.000 0.940 285 R HN 0.838 nan 8.270 nan 0.000 0.480 286 D N -2.330 118.093 120.400 0.039 0.000 2.596 286 D HA 0.038 4.676 4.640 -0.003 0.000 0.234 286 D C 0.609 176.927 176.300 0.030 0.000 1.181 286 D CA -0.764 53.258 54.000 0.037 0.000 0.856 286 D CB 1.519 42.346 40.800 0.045 0.000 1.498 286 D HN -0.193 nan 8.370 nan 0.000 0.446 287 V N -0.203 119.734 119.914 0.038 0.000 2.759 287 V HA -0.128 3.990 4.120 -0.003 0.000 0.256 287 V C 1.277 177.405 176.094 0.058 0.000 1.080 287 V CA 1.502 63.829 62.300 0.045 0.000 1.101 287 V CB -0.647 31.211 31.823 0.057 0.000 0.698 287 V HN 0.554 nan 8.190 nan 0.000 0.477 288 E N 1.335 121.586 120.200 0.086 0.000 2.274 288 E HA -0.058 4.290 4.350 -0.003 0.000 0.194 288 E C 2.296 178.898 176.600 0.004 0.000 0.996 288 E CA 1.455 57.916 56.400 0.101 0.000 0.840 288 E CB -0.222 29.553 29.700 0.126 0.000 0.772 288 E HN 0.808 nan 8.360 nan 0.000 0.491 289 S N 0.107 115.800 115.700 -0.012 0.000 2.436 289 S HA 0.017 4.485 4.470 -0.003 0.000 0.228 289 S C 1.857 176.406 174.600 -0.086 0.000 1.014 289 S CA 0.431 58.603 58.200 -0.046 0.000 0.950 289 S CB -0.044 63.140 63.200 -0.027 0.000 0.784 289 S HN 0.168 nan 8.310 nan 0.000 0.504 290 L N 1.295 122.471 121.223 -0.078 0.000 2.131 290 L HA 0.072 4.411 4.340 -0.003 0.000 0.206 290 L C 2.872 179.640 176.870 -0.169 0.000 1.087 290 L CA 1.037 55.822 54.840 -0.092 0.000 0.767 290 L CB -0.805 41.224 42.059 -0.049 0.000 0.917 290 L HN 0.330 nan 8.230 nan 0.000 0.441 291 A N 0.270 122.944 122.820 -0.243 0.000 1.898 291 A HA -0.161 4.157 4.320 -0.003 0.000 0.216 291 A C 2.332 179.542 177.584 -0.623 0.000 1.181 291 A CA 1.292 53.035 52.037 -0.491 0.000 0.620 291 A CB -0.689 17.871 19.000 -0.733 0.000 0.819 291 A HN 0.349 nan 8.150 nan 0.000 0.442 292 L N -0.919 120.096 121.223 -0.347 0.000 2.083 292 L HA -0.239 4.099 4.340 -0.003 0.000 0.209 292 L C 2.748 179.458 176.870 -0.268 0.000 1.083 292 L CA 1.638 56.312 54.840 -0.277 0.000 0.752 292 L CB -0.313 41.663 42.059 -0.139 0.000 0.899 292 L HN 0.625 nan 8.230 nan 0.000 0.433 293 C N -0.456 118.711 119.300 -0.221 0.000 2.446 293 C HA -0.140 4.318 4.460 -0.003 0.000 0.277 293 C C 2.686 177.558 174.990 -0.195 0.000 1.275 293 C CA 0.378 59.291 59.018 -0.175 0.000 1.727 293 C CB -0.733 26.930 27.740 -0.128 0.000 2.010 293 C HN 0.447 nan 8.230 nan 0.000 0.486 294 L N 0.758 121.831 121.223 -0.250 0.000 2.046 294 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 294 L C 2.636 179.347 176.870 -0.265 0.000 1.077 294 L CA 2.162 56.887 54.840 -0.192 0.000 0.747 294 L CB -0.893 41.109 42.059 -0.095 0.000 0.896 294 L HN 0.465 nan 8.230 nan 0.000 0.432 295 K N -0.012 120.019 120.400 -0.614 0.000 2.097 295 K HA -0.142 4.176 4.320 -0.003 0.000 0.205 295 K C 2.019 178.493 176.600 -0.211 0.000 1.050 295 K CA 1.277 57.258 56.287 -0.509 0.000 0.938 295 K CB -0.005 32.019 32.500 -0.793 0.000 0.718 295 K HN 0.256 nan 8.250 nan 0.000 0.442 296 A N 1.109 123.807 122.820 -0.203 0.000 1.898 296 A HA -0.075 4.244 4.320 -0.003 0.000 0.216 296 A C 2.064 179.583 177.584 -0.109 0.000 1.181 296 A CA 1.227 53.190 52.037 -0.124 0.000 0.620 296 A CB -0.518 18.413 19.000 -0.116 0.000 0.819 296 A HN 0.333 nan 8.150 nan 0.000 0.442 297 L N -1.092 120.061 121.223 -0.118 0.000 2.240 297 L HA 0.017 4.355 4.340 -0.003 0.000 0.211 297 L C 0.416 177.193 176.870 -0.155 0.000 1.106 297 L CA 0.127 54.902 54.840 -0.109 0.000 0.793 297 L CB -0.143 41.871 42.059 -0.074 0.000 0.927 297 L HN 0.208 nan 8.230 nan 0.000 0.446 298 L N 1.096 122.248 121.223 -0.118 0.000 2.865 298 L HA 0.141 4.479 4.340 -0.003 0.000 0.233 298 L C 0.215 176.936 176.870 -0.249 0.000 1.320 298 L CA -0.352 54.406 54.840 -0.137 0.000 1.225 298 L CB -0.915 41.255 42.059 0.185 0.000 1.542 298 L HN 0.277 nan 8.230 nan 0.000 0.432 299 C N -3.436 115.581 119.300 -0.472 0.000 2.668 299 C HA 0.818 5.276 4.460 -0.003 0.000 0.355 299 C C 1.835 176.532 174.990 -0.488 0.000 1.277 299 C CA -0.163 58.681 59.018 -0.290 0.000 1.787 299 C CB 1.034 28.701 27.740 -0.121 0.000 2.233 299 C HN 0.545 nan 8.230 nan 0.000 0.495 300 E N -1.085 119.003 120.200 -0.186 0.000 2.265 300 E HA -0.173 4.175 4.350 -0.003 0.000 0.196 300 E C 1.689 178.203 176.600 -0.143 0.000 0.996 300 E CA 1.816 58.167 56.400 -0.081 0.000 0.832 300 E CB -1.029 28.640 29.700 -0.052 0.000 0.756 300 E HN 0.852 nan 8.360 nan 0.000 0.491 301 H N -0.540 118.456 119.070 -0.123 0.000 2.319 301 H HA -0.086 4.468 4.556 -0.003 0.000 0.297 301 H C 2.397 177.648 175.328 -0.129 0.000 1.097 301 H CA 1.788 57.773 56.048 -0.105 0.000 1.285 301 H CB -0.492 29.209 29.762 -0.103 0.000 1.368 301 H HN 0.413 nan 8.280 nan 0.000 0.495 302 L N 0.194 121.336 121.223 -0.135 0.000 2.017 302 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 302 L C 2.056 178.909 176.870 -0.029 0.000 1.073 302 L CA 1.286 56.023 54.840 -0.171 0.000 0.745 302 L CB -0.440 41.405 42.059 -0.357 0.000 0.894 302 L HN -0.005 nan 8.230 nan 0.000 0.432 303 F N -0.910 119.070 119.950 0.050 0.000 2.451 303 F HA -0.093 4.432 4.527 -0.003 0.000 0.299 303 F C 2.354 178.168 175.800 0.023 0.000 1.101 303 F CA 1.121 59.140 58.000 0.032 0.000 1.436 303 F CB -1.709 37.302 39.000 0.017 0.000 1.074 303 F HN 0.076 nan 8.300 nan 0.000 0.553 304 T N 0.356 115.010 114.554 0.167 0.000 2.866 304 T HA 0.103 4.452 4.350 -0.003 0.000 0.250 304 T C 0.824 175.574 174.700 0.083 0.000 1.033 304 T CA 0.364 62.525 62.100 0.103 0.000 1.145 304 T CB -0.429 68.480 68.868 0.068 0.000 0.866 304 T HN -0.018 nan 8.240 nan 0.000 0.434 305 L N 2.605 123.874 121.223 0.077 0.000 2.385 305 L HA 0.490 4.828 4.340 -0.003 0.000 0.285 305 L C -0.511 176.402 176.870 0.072 0.000 1.125 305 L CA -0.256 54.620 54.840 0.060 0.000 0.890 305 L CB -0.333 41.752 42.059 0.043 0.000 1.251 305 L HN 0.040 nan 8.230 nan 0.000 0.445 306 D N 2.260 122.705 120.400 0.074 0.000 3.094 306 D HA -0.079 4.559 4.640 -0.003 0.000 0.238 306 D C -1.810 174.559 176.300 0.115 0.000 1.017 306 D CA -0.008 54.046 54.000 0.091 0.000 0.908 306 D CB 0.084 40.944 40.800 0.100 0.000 0.981 306 D HN 0.411 nan 8.370 nan 0.000 0.423 307 P HA -0.099 nan 4.420 nan 0.000 0.244 307 P C 1.337 178.668 177.300 0.053 0.000 1.211 307 P CA 0.958 64.101 63.100 0.071 0.000 0.760 307 P CB -0.145 31.582 31.700 0.046 0.000 0.961 308 T N -3.685 110.909 114.554 0.066 0.000 3.014 308 T HA 0.039 4.387 4.350 -0.003 0.000 0.263 308 T C 0.895 175.643 174.700 0.081 0.000 1.078 308 T CA 0.154 62.291 62.100 0.061 0.000 1.135 308 T CB -0.754 68.151 68.868 0.061 0.000 0.895 308 T HN -0.159 nan 8.240 nan 0.000 0.480 309 V N 5.203 125.189 119.914 0.120 0.000 2.508 309 V HA 0.292 4.411 4.120 -0.003 0.000 0.281 309 V C -1.983 174.152 176.094 0.069 0.000 1.041 309 V CA -1.997 60.399 62.300 0.160 0.000 1.016 309 V CB 0.772 32.745 31.823 0.250 0.000 0.984 309 V HN 0.404 nan 8.190 nan 0.000 0.478 310 P HA 0.176 nan 4.420 nan 0.000 0.271 310 P C -2.524 174.505 177.300 -0.451 0.000 1.220 310 P CA -1.636 61.337 63.100 -0.213 0.000 0.768 310 P CB 0.289 31.803 31.700 -0.309 0.000 0.848 311 P HA 0.179 nan 4.420 nan 0.000 0.226 311 P C -0.464 176.205 177.300 -1.052 0.000 1.783 311 P CA 0.027 62.184 63.100 -1.571 0.000 0.980 311 P CB -0.212 30.927 31.700 -0.935 0.000 1.967 312 L N 4.191 125.013 121.223 -0.668 0.000 2.261 312 L HA 0.377 4.716 4.340 -0.003 0.000 0.289 312 L C -1.712 175.250 176.870 0.154 0.000 1.059 312 L CA -1.998 52.724 54.840 -0.196 0.000 0.816 312 L CB 0.921 42.919 42.059 -0.103 0.000 1.191 312 L HN 0.088 nan 8.230 nan 0.000 0.431 313 P HA 0.069 nan 4.420 nan 0.000 0.278 313 P C -0.774 176.686 177.300 0.268 0.000 1.266 313 P CA -0.546 62.759 63.100 0.341 0.000 0.807 313 P CB 0.705 32.566 31.700 0.268 0.000 1.094 314 F N 1.731 121.753 119.950 0.121 0.000 2.472 314 F HA 0.211 4.736 4.527 -0.003 0.000 0.364 314 F C 0.820 176.667 175.800 0.078 0.000 1.090 314 F CA -0.243 57.807 58.000 0.083 0.000 1.188 314 F CB 0.371 39.398 39.000 0.046 0.000 1.105 314 F HN 0.107 nan 8.300 nan 0.000 0.536 315 R N 5.380 125.663 120.500 -0.360 0.000 2.248 315 R HA 0.042 4.381 4.340 -0.003 0.000 0.337 315 R C 0.992 177.117 176.300 -0.292 0.000 1.106 315 R CA -0.201 55.767 56.100 -0.221 0.000 0.959 315 R CB 0.769 30.983 30.300 -0.144 0.000 1.075 315 R HN 0.740 nan 8.270 nan 0.000 0.480 316 E N 2.724 122.899 120.200 -0.041 0.000 2.110 316 E HA -0.230 4.118 4.350 -0.003 0.000 0.193 316 E C 1.562 178.204 176.600 0.068 0.000 0.988 316 E CA 1.607 58.078 56.400 0.118 0.000 0.804 316 E CB 0.294 30.115 29.700 0.203 0.000 0.745 316 E HN 0.577 nan 8.360 nan 0.000 0.458 317 E N 0.124 120.336 120.200 0.020 0.000 2.118 317 E HA -0.168 4.180 4.350 -0.003 0.000 0.195 317 E C 2.090 178.683 176.600 -0.012 0.000 0.992 317 E CA 1.403 57.806 56.400 0.005 0.000 0.804 317 E CB -0.491 29.209 29.700 -0.000 0.000 0.741 317 E HN 0.256 nan 8.360 nan 0.000 0.458 318 V N 0.550 120.446 119.914 -0.030 0.000 2.346 318 V HA -0.201 3.917 4.120 -0.003 0.000 0.244 318 V C 2.297 178.397 176.094 0.011 0.000 1.037 318 V CA 1.578 63.863 62.300 -0.025 0.000 1.029 318 V CB -0.828 30.962 31.823 -0.054 0.000 0.663 318 V HN 0.233 nan 8.190 nan 0.000 0.454 319 Y N 1.680 121.909 120.300 -0.118 0.000 2.242 319 Y HA -0.127 4.421 4.550 -0.003 0.000 0.291 319 Y C 2.465 178.385 175.900 0.034 0.000 1.137 319 Y CA 1.513 59.589 58.100 -0.041 0.000 1.181 319 Y CB -0.110 38.321 38.460 -0.047 0.000 0.989 319 Y HN 0.074 nan 8.280 nan 0.000 0.527 320 R N 0.036 120.412 120.500 -0.207 0.000 2.297 320 R HA 0.079 4.418 4.340 -0.003 0.000 0.197 320 R C 0.914 177.135 176.300 -0.132 0.000 0.943 320 R CA 0.371 56.325 56.100 -0.242 0.000 1.038 320 R CB -0.261 29.979 30.300 -0.100 0.000 0.957 320 R HN 0.123 nan 8.270 nan 0.000 0.484 321 S N 1.183 116.835 115.700 -0.080 0.000 2.552 321 S HA 0.011 4.479 4.470 -0.003 0.000 0.289 321 S C 1.011 175.598 174.600 -0.022 0.000 1.304 321 S CA -0.108 58.071 58.200 -0.035 0.000 1.063 321 S CB 0.577 63.769 63.200 -0.013 0.000 0.848 321 S HN 0.397 nan 8.310 nan 0.000 0.499 322 S N 1.896 117.592 115.700 -0.006 0.000 2.730 322 S HA 0.300 4.768 4.470 -0.003 0.000 0.244 322 S C 0.655 175.269 174.600 0.022 0.000 1.022 322 S CA -0.294 57.915 58.200 0.015 0.000 1.014 322 S CB -0.015 63.184 63.200 -0.001 0.000 0.963 322 S HN 0.896 nan 8.310 nan 0.000 0.540 323 R N 3.123 123.632 120.500 0.016 0.000 2.522 323 R HA 0.533 4.871 4.340 -0.003 0.000 0.284 323 R C -2.532 173.793 176.300 0.041 0.000 1.032 323 R CA -1.071 55.036 56.100 0.011 0.000 1.049 323 R CB -1.527 28.776 30.300 0.005 0.000 0.956 323 R HN 0.465 nan 8.270 nan 0.000 0.422 324 P HA 0.290 nan 4.420 nan 0.000 0.272 324 P C -0.750 176.628 177.300 0.130 0.000 1.223 324 P CA -0.344 62.779 63.100 0.039 0.000 0.784 324 P CB 0.609 32.234 31.700 -0.125 0.000 0.923 325 L N 1.975 123.393 121.223 0.326 0.000 2.352 325 L HA 0.515 4.854 4.340 -0.003 0.000 0.269 325 L C 1.048 177.933 176.870 0.024 0.000 1.034 325 L CA -0.986 53.907 54.840 0.089 0.000 0.806 325 L CB 0.934 42.948 42.059 -0.074 0.000 1.244 325 L HN 0.174 nan 8.230 nan 0.000 0.447 326 R N 1.493 121.944 120.500 -0.082 0.000 2.207 326 R HA 0.451 4.790 4.340 -0.003 0.000 0.334 326 R C -1.224 174.928 176.300 -0.247 0.000 1.013 326 R CA -0.563 55.461 56.100 -0.127 0.000 0.858 326 R CB 1.257 31.476 30.300 -0.136 0.000 1.094 326 R HN 0.295 nan 8.270 nan 0.000 0.457 327 V N 2.906 122.688 119.914 -0.220 0.000 2.334 327 V HA 0.305 4.424 4.120 -0.003 0.000 0.281 327 V C 0.808 176.797 176.094 -0.176 0.000 1.016 327 V CA -0.799 61.313 62.300 -0.313 0.000 0.832 327 V CB 1.510 33.176 31.823 -0.262 0.000 0.999 327 V HN 0.927 nan 8.190 nan 0.000 0.439 328 G N 4.131 112.760 108.800 -0.285 0.000 2.527 328 G HA2 0.489 4.448 3.960 -0.003 0.000 0.248 328 G HA3 0.489 4.448 3.960 -0.003 0.000 0.248 328 G C -0.941 174.034 174.900 0.124 0.000 1.231 328 G CA -0.069 44.961 45.100 -0.117 0.000 0.838 328 G HN 0.958 nan 8.290 nan 0.000 0.570 329 Y N 0.088 120.430 120.300 0.070 0.000 2.581 329 Y HA 0.694 5.242 4.550 -0.003 0.000 0.337 329 Y C -1.473 174.553 175.900 0.209 0.000 1.108 329 Y CA -1.972 56.158 58.100 0.051 0.000 1.033 329 Y CB 1.456 39.931 38.460 0.025 0.000 1.318 329 Y HN 0.828 nan 8.280 nan 0.000 0.459 330 Y N -0.447 119.860 120.300 0.012 0.000 2.562 330 Y HA 0.619 5.167 4.550 -0.003 0.000 0.345 330 Y C -0.159 175.822 175.900 0.136 0.000 1.045 330 Y CA -1.346 56.700 58.100 -0.089 0.000 1.028 330 Y CB 1.961 40.424 38.460 0.004 0.000 1.297 330 Y HN 0.690 nan 8.280 nan 0.000 0.463 331 E N 0.320 120.709 120.200 0.314 0.000 2.385 331 E HA 0.107 4.455 4.350 -0.003 0.000 0.194 331 E C -0.065 176.766 176.600 0.384 0.000 1.013 331 E CA 0.907 57.489 56.400 0.304 0.000 0.866 331 E CB 0.620 30.473 29.700 0.255 0.000 0.832 331 E HN 0.650 nan 8.360 nan 0.000 0.500 332 T N -0.530 114.336 114.554 0.520 0.000 2.885 332 T HA 0.059 4.407 4.350 -0.003 0.000 0.322 332 T C -1.060 173.924 174.700 0.473 0.000 1.387 332 T CA -0.671 61.792 62.100 0.605 0.000 1.041 332 T CB 1.274 70.445 68.868 0.505 0.000 1.287 332 T HN 0.005 nan 8.240 nan 0.000 0.491 333 D N 1.716 122.335 120.400 0.364 0.000 2.340 333 D HA 0.098 4.736 4.640 -0.003 0.000 0.220 333 D C 0.596 176.864 176.300 -0.052 0.000 1.039 333 D CA 0.136 54.094 54.000 -0.070 0.000 0.866 333 D CB -0.807 39.802 40.800 -0.319 0.000 0.913 333 D HN 0.821 nan 8.370 nan 0.000 0.523 334 N N -1.994 116.718 118.700 0.020 0.000 2.741 334 N HA -0.311 4.428 4.740 -0.003 0.000 0.251 334 N C -0.373 175.118 175.510 -0.031 0.000 1.112 334 N CA 1.033 53.922 53.050 -0.268 0.000 0.750 334 N CB -1.547 36.738 38.487 -0.338 0.000 1.119 334 N HN 0.369 nan 8.380 nan 0.000 0.561 335 Y N -0.431 119.965 120.300 0.159 0.000 3.105 335 Y HA 0.254 4.802 4.550 -0.003 0.000 0.216 335 Y C 0.564 176.744 175.900 0.467 0.000 0.943 335 Y CA 0.637 58.937 58.100 0.333 0.000 1.535 335 Y CB 0.608 39.132 38.460 0.106 0.000 1.475 335 Y HN -0.059 nan 8.280 nan 0.000 0.435 336 T N 4.119 118.964 114.554 0.485 0.000 2.749 336 T HA 0.219 4.567 4.350 -0.003 0.000 0.295 336 T C -0.130 174.858 174.700 0.480 0.000 0.936 336 T CA -0.354 62.005 62.100 0.432 0.000 1.060 336 T CB 0.435 69.533 68.868 0.383 0.000 0.904 336 T HN 0.147 nan 8.240 nan 0.000 0.500 337 M N 6.198 125.946 119.600 0.246 0.000 2.246 337 M HA 0.155 4.633 4.480 -0.003 0.000 0.350 337 M C -1.996 174.536 176.300 0.387 0.000 1.406 337 M CA -1.815 53.478 55.300 -0.011 0.000 1.089 337 M CB 0.723 32.963 32.600 -0.599 0.000 1.782 337 M HN 0.293 nan 8.290 nan 0.000 0.457 338 P HA 0.069 nan 4.420 nan 0.000 0.271 338 P C -0.667 176.790 177.300 0.261 0.000 1.216 338 P CA -0.221 63.047 63.100 0.280 0.000 0.776 338 P CB 0.165 31.996 31.700 0.219 0.000 0.881 339 S N 3.473 119.236 115.700 0.106 0.000 2.573 339 S HA 0.106 4.574 4.470 -0.003 0.000 0.277 339 S C -1.284 173.350 174.600 0.056 0.000 1.346 339 S CA -0.810 57.393 58.200 0.005 0.000 1.034 339 S CB -0.609 62.530 63.200 -0.101 0.000 0.879 339 S HN 0.381 nan 8.310 nan 0.000 0.528 340 P HA -0.259 nan 4.420 nan 0.000 0.216 340 P C 1.591 178.901 177.300 0.018 0.000 1.157 340 P CA 2.140 65.266 63.100 0.043 0.000 0.880 340 P CB -0.447 31.273 31.700 0.033 0.000 0.791 341 A N -0.222 122.593 122.820 -0.009 0.000 1.869 341 A HA -0.252 4.066 4.320 -0.003 0.000 0.218 341 A C 2.495 180.069 177.584 -0.016 0.000 1.203 341 A CA 2.799 54.823 52.037 -0.022 0.000 0.638 341 A CB -1.652 17.321 19.000 -0.045 0.000 0.831 341 A HN 0.113 nan 8.150 nan 0.000 0.450 342 M N -1.757 117.834 119.600 -0.015 0.000 2.073 342 M HA -0.235 4.243 4.480 -0.003 0.000 0.258 342 M C 2.410 178.709 176.300 -0.002 0.000 1.070 342 M CA 2.378 57.664 55.300 -0.022 0.000 1.103 342 M CB -0.259 32.323 32.600 -0.030 0.000 1.321 342 M HN 0.512 nan 8.290 nan 0.000 0.405 343 R N 0.003 120.524 120.500 0.034 0.000 2.081 343 R HA -0.149 4.190 4.340 -0.003 0.000 0.235 343 R C 2.205 178.532 176.300 0.046 0.000 1.131 343 R CA 1.779 57.916 56.100 0.062 0.000 0.960 343 R CB -0.287 30.066 30.300 0.088 0.000 0.856 343 R HN 0.253 nan 8.270 nan 0.000 0.436 344 R N -0.344 120.173 120.500 0.029 0.000 2.092 344 R HA -0.045 4.293 4.340 -0.003 0.000 0.231 344 R C 2.061 178.363 176.300 0.004 0.000 1.119 344 R CA 1.336 57.447 56.100 0.018 0.000 0.970 344 R CB -0.304 30.003 30.300 0.012 0.000 0.864 344 R HN 0.337 nan 8.270 nan 0.000 0.440 345 A N 1.563 124.379 122.820 -0.007 0.000 1.883 345 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 345 A C 2.113 179.684 177.584 -0.021 0.000 1.186 345 A CA 1.150 53.173 52.037 -0.023 0.000 0.624 345 A CB -0.704 18.275 19.000 -0.036 0.000 0.822 345 A HN 0.395 nan 8.150 nan 0.000 0.444 346 L N -0.699 120.521 121.223 -0.006 0.000 2.141 346 L HA -0.038 4.300 4.340 -0.003 0.000 0.209 346 L C 2.173 179.053 176.870 0.016 0.000 1.094 346 L CA 1.785 56.630 54.840 0.008 0.000 0.763 346 L CB -0.528 41.555 42.059 0.040 0.000 0.908 346 L HN 0.464 nan 8.230 nan 0.000 0.437 347 I N -0.673 119.910 120.570 0.021 0.000 2.716 347 I HA -0.192 3.976 4.170 -0.003 0.000 0.259 347 I C 2.301 178.405 176.117 -0.022 0.000 1.172 347 I CA 0.489 61.795 61.300 0.009 0.000 1.478 347 I CB 0.266 38.291 38.000 0.043 0.000 1.104 347 I HN 0.273 nan 8.210 nan 0.000 0.439 348 E N -0.238 119.952 120.200 -0.017 0.000 2.076 348 E HA -0.198 4.151 4.350 -0.003 0.000 0.190 348 E C 2.119 178.700 176.600 -0.032 0.000 0.979 348 E CA 1.714 58.101 56.400 -0.021 0.000 0.807 348 E CB 0.062 29.752 29.700 -0.016 0.000 0.761 348 E HN 0.477 nan 8.360 nan 0.000 0.454 349 T N -0.236 114.293 114.554 -0.041 0.000 2.951 349 T HA -0.118 4.231 4.350 -0.003 0.000 0.268 349 T C 1.831 176.500 174.700 -0.052 0.000 1.073 349 T CA 1.008 63.077 62.100 -0.051 0.000 1.134 349 T CB -0.003 68.820 68.868 -0.076 0.000 0.884 349 T HN -0.034 nan 8.240 nan 0.000 0.479 350 K N 0.509 120.864 120.400 -0.075 0.000 2.057 350 K HA -0.181 4.138 4.320 -0.003 0.000 0.207 350 K C 2.507 179.040 176.600 -0.113 0.000 1.049 350 K CA 1.644 57.846 56.287 -0.143 0.000 0.931 350 K CB -0.234 32.102 32.500 -0.273 0.000 0.714 350 K HN 0.422 nan 8.250 nan 0.000 0.440 351 Q N -0.108 119.646 119.800 -0.078 0.000 2.119 351 Q HA -0.042 4.296 4.340 -0.003 0.000 0.201 351 Q C 2.143 178.130 176.000 -0.021 0.000 0.972 351 Q CA 1.354 57.128 55.803 -0.048 0.000 0.847 351 Q CB 0.181 28.900 28.738 -0.033 0.000 0.903 351 Q HN 0.197 nan 8.270 nan 0.000 0.433 352 R N -0.227 120.265 120.500 -0.013 0.000 2.119 352 R HA 0.004 4.342 4.340 -0.003 0.000 0.222 352 R C 2.179 178.505 176.300 0.043 0.000 1.088 352 R CA 0.668 56.772 56.100 0.007 0.000 0.984 352 R CB -0.262 30.037 30.300 -0.001 0.000 0.884 352 R HN 0.322 nan 8.270 nan 0.000 0.447 353 L N 0.513 121.767 121.223 0.051 0.000 2.093 353 L HA -0.145 4.194 4.340 -0.003 0.000 0.208 353 L C 2.287 179.261 176.870 0.174 0.000 1.085 353 L CA 1.256 56.184 54.840 0.147 0.000 0.755 353 L CB -0.265 41.848 42.059 0.091 0.000 0.904 353 L HN 0.156 nan 8.230 nan 0.000 0.435 354 E N -0.027 120.207 120.200 0.058 0.000 2.051 354 E HA -0.206 4.142 4.350 -0.003 0.000 0.192 354 E C 2.248 178.856 176.600 0.014 0.000 0.991 354 E CA 1.280 57.695 56.400 0.025 0.000 0.799 354 E CB -0.090 29.600 29.700 -0.016 0.000 0.748 354 E HN 0.455 nan 8.360 nan 0.000 0.449 355 A N 0.501 123.329 122.820 0.013 0.000 2.015 355 A HA -0.012 4.306 4.320 -0.003 0.000 0.219 355 A C 2.187 179.769 177.584 -0.003 0.000 1.163 355 A CA 1.427 53.466 52.037 0.002 0.000 0.646 355 A CB -0.389 18.613 19.000 0.003 0.000 0.806 355 A HN 0.306 nan 8.150 nan 0.000 0.448 356 A N -2.018 120.815 122.820 0.021 0.000 2.206 356 A HA 0.408 4.726 4.320 -0.003 0.000 0.211 356 A C 1.708 179.199 177.584 -0.155 0.000 1.158 356 A CA 1.341 53.374 52.037 -0.006 0.000 0.761 356 A CB -0.594 18.466 19.000 0.099 0.000 0.801 356 A HN 1.751 nan 8.150 nan 0.000 0.473 357 G N -1.828 106.881 108.800 -0.153 0.000 2.192 357 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.193 357 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.193 357 G C -0.034 174.711 174.900 -0.259 0.000 0.999 357 G CA 0.089 45.063 45.100 -0.210 0.000 0.659 357 G HN 0.703 nan 8.290 nan 0.000 0.503 358 H N 0.718 119.783 119.070 -0.008 0.000 2.547 358 H HA 0.593 5.147 4.556 -0.003 0.000 0.362 358 H C 0.775 176.086 175.328 -0.028 0.000 1.181 358 H CA 0.840 56.879 56.048 -0.016 0.000 1.376 358 H CB 1.292 31.055 29.762 0.002 0.000 1.488 358 H HN 0.248 nan 8.280 nan 0.000 0.583 359 T N 1.851 116.458 114.554 0.088 0.000 2.758 359 T HA 0.354 4.702 4.350 -0.003 0.000 0.285 359 T C -0.788 173.922 174.700 0.016 0.000 0.981 359 T CA -0.990 61.127 62.100 0.029 0.000 0.965 359 T CB 0.196 69.068 68.868 0.007 0.000 0.927 359 T HN 0.251 nan 8.240 nan 0.000 0.448 360 L N 5.624 126.855 121.223 0.015 0.000 2.298 360 L HA 0.544 4.882 4.340 -0.003 0.000 0.284 360 L C -0.608 176.358 176.870 0.160 0.000 1.013 360 L CA -0.675 54.175 54.840 0.016 0.000 0.824 360 L CB 1.152 43.119 42.059 -0.153 0.000 1.221 360 L HN 0.769 nan 8.230 nan 0.000 0.418 361 I N 5.624 126.349 120.570 0.259 0.000 2.389 361 I HA 0.348 4.516 4.170 -0.003 0.000 0.288 361 I C -2.205 174.079 176.117 0.277 0.000 0.999 361 I CA -1.965 59.475 61.300 0.234 0.000 1.129 361 I CB 1.874 39.914 38.000 0.067 0.000 1.288 361 I HN 0.339 nan 8.210 nan 0.000 0.444 362 P HA 0.125 nan 4.420 nan 0.000 0.266 362 P C -1.079 176.248 177.300 0.046 0.000 1.215 362 P CA 0.320 63.320 63.100 -0.166 0.000 0.763 362 P CB 0.086 31.728 31.700 -0.097 0.000 0.806 363 F N 4.920 124.797 119.950 -0.121 0.000 2.596 363 F HA 0.620 5.145 4.527 -0.003 0.000 0.311 363 F C -1.991 173.852 175.800 0.072 0.000 1.116 363 F CA -1.069 56.921 58.000 -0.016 0.000 0.957 363 F CB 1.504 40.491 39.000 -0.023 0.000 1.250 363 F HN 0.063 nan 8.300 nan 0.000 0.444 364 L N 7.380 128.190 121.223 -0.690 0.000 2.470 364 L HA 0.642 4.980 4.340 -0.003 0.000 0.268 364 L C -2.644 173.765 176.870 -0.770 0.000 0.964 364 L CA -2.122 52.367 54.840 -0.585 0.000 0.839 364 L CB 2.096 43.898 42.059 -0.428 0.000 1.276 364 L HN 0.323 nan 8.230 nan 0.000 0.403 365 P HA 0.135 nan 4.420 nan 0.000 0.262 365 P C -1.006 176.182 177.300 -0.188 0.000 1.199 365 P CA 0.013 62.973 63.100 -0.232 0.000 0.763 365 P CB -0.002 31.695 31.700 -0.006 0.000 0.790 366 N N 2.582 121.186 118.700 -0.160 0.000 2.374 366 N HA -0.121 4.617 4.740 -0.003 0.000 0.241 366 N C -0.033 175.540 175.510 0.106 0.000 1.262 366 N CA -0.126 52.886 53.050 -0.065 0.000 0.880 366 N CB -0.530 37.918 38.487 -0.065 0.000 1.105 366 N HN 0.275 nan 8.380 nan 0.000 0.438 367 N N -0.745 118.003 118.700 0.079 0.000 2.708 367 N HA -0.234 4.505 4.740 -0.003 0.000 0.249 367 N C 0.267 175.843 175.510 0.110 0.000 1.097 367 N CA 0.794 53.925 53.050 0.136 0.000 0.710 367 N CB -1.127 37.471 38.487 0.185 0.000 1.032 367 N HN 0.566 nan 8.380 nan 0.000 0.551 368 I N 0.292 120.876 120.570 0.022 0.000 2.103 368 I HA -0.299 3.870 4.170 -0.003 0.000 0.241 368 I C -0.563 175.469 176.117 -0.142 0.000 1.036 368 I CA 2.031 63.273 61.300 -0.096 0.000 1.300 368 I CB -0.862 37.050 38.000 -0.146 0.000 1.010 368 I HN 0.215 nan 8.210 nan 0.000 0.406 369 P HA -0.199 nan 4.420 nan 0.000 0.220 369 P C 1.423 178.732 177.300 0.015 0.000 1.148 369 P CA 1.347 64.485 63.100 0.063 0.000 0.803 369 P CB -0.143 31.728 31.700 0.285 0.000 0.782 370 Y N 0.926 121.164 120.300 -0.104 0.000 2.163 370 Y HA -0.083 4.465 4.550 -0.003 0.000 0.288 370 Y C 2.365 178.102 175.900 -0.271 0.000 1.136 370 Y CA 1.660 59.675 58.100 -0.141 0.000 1.147 370 Y CB -0.957 37.437 38.460 -0.110 0.000 0.987 370 Y HN -0.108 nan 8.280 nan 0.000 0.509 371 A N 0.542 123.059 122.820 -0.504 0.000 1.930 371 A HA -0.104 4.214 4.320 -0.003 0.000 0.217 371 A C 2.234 179.490 177.584 -0.548 0.000 1.175 371 A CA 1.759 53.328 52.037 -0.780 0.000 0.627 371 A CB -1.037 17.330 19.000 -1.056 0.000 0.815 371 A HN 0.561 nan 8.150 nan 0.000 0.443 372 L N -1.119 119.839 121.223 -0.443 0.000 2.023 372 L HA -0.153 4.185 4.340 -0.003 0.000 0.205 372 L C 2.606 179.308 176.870 -0.280 0.000 1.073 372 L CA 1.765 56.367 54.840 -0.398 0.000 0.745 372 L CB -0.688 41.032 42.059 -0.565 0.000 0.900 372 L HN 0.406 nan 8.230 nan 0.000 0.435 373 E N -0.419 119.654 120.200 -0.213 0.000 2.060 373 E HA -0.156 4.193 4.350 -0.003 0.000 0.189 373 E C 2.160 178.692 176.600 -0.113 0.000 0.974 373 E CA 1.241 57.596 56.400 -0.076 0.000 0.808 373 E CB 0.084 29.801 29.700 0.028 0.000 0.768 373 E HN 0.345 nan 8.360 nan 0.000 0.453 374 V N 0.088 119.856 119.914 -0.243 0.000 2.575 374 V HA -0.015 4.103 4.120 -0.003 0.000 0.242 374 V C 1.781 177.670 176.094 -0.341 0.000 1.045 374 V CA 0.781 62.918 62.300 -0.272 0.000 1.065 374 V CB -0.107 31.578 31.823 -0.229 0.000 0.717 374 V HN 0.165 nan 8.190 nan 0.000 0.467 375 L N 0.384 121.296 121.223 -0.518 0.000 2.049 375 L HA 0.007 4.346 4.340 -0.003 0.000 0.203 375 L C 2.785 179.483 176.870 -0.287 0.000 1.074 375 L CA 1.739 56.327 54.840 -0.420 0.000 0.749 375 L CB -0.806 40.924 42.059 -0.549 0.000 0.907 375 L HN 0.336 nan 8.230 nan 0.000 0.439 376 S N 0.428 115.947 115.700 -0.301 0.000 2.335 376 S HA -0.073 4.395 4.470 -0.003 0.000 0.217 376 S C 2.184 176.664 174.600 -0.200 0.000 1.032 376 S CA 1.072 59.127 58.200 -0.242 0.000 0.985 376 S CB -0.388 62.656 63.200 -0.259 0.000 0.896 376 S HN 0.423 nan 8.310 nan 0.000 0.445 377 A N 1.573 124.302 122.820 -0.151 0.000 1.972 377 A HA 0.097 4.415 4.320 -0.003 0.000 0.219 377 A C 2.265 179.829 177.584 -0.034 0.000 1.169 377 A CA 1.707 53.707 52.037 -0.061 0.000 0.635 377 A CB -1.357 17.695 19.000 0.086 0.000 0.810 377 A HN 0.518 nan 8.150 nan 0.000 0.446 378 G N -0.569 108.195 108.800 -0.059 0.000 2.404 378 G HA2 0.075 4.033 3.960 -0.003 0.000 0.215 378 G HA3 0.075 4.033 3.960 -0.003 0.000 0.215 378 G C 1.535 176.412 174.900 -0.037 0.000 1.174 378 G CA 1.135 46.218 45.100 -0.029 0.000 0.780 378 G HN 0.672 nan 8.290 nan 0.000 0.537 379 G N 0.837 109.583 108.800 -0.089 0.000 2.422 379 G HA2 -0.135 3.824 3.960 -0.003 0.000 0.218 379 G HA3 -0.135 3.824 3.960 -0.003 0.000 0.218 379 G C 1.774 176.610 174.900 -0.106 0.000 1.146 379 G CA 0.642 45.694 45.100 -0.080 0.000 0.769 379 G HN 0.416 nan 8.290 nan 0.000 0.547 380 L N -1.156 119.940 121.223 -0.213 0.000 2.291 380 L HA 0.172 4.511 4.340 -0.003 0.000 0.214 380 L C 1.055 177.690 176.870 -0.393 0.000 1.120 380 L CA 0.441 55.049 54.840 -0.387 0.000 0.799 380 L CB 0.034 41.715 42.059 -0.630 0.000 0.925 380 L HN 0.104 nan 8.230 nan 0.000 0.446 381 F N -1.767 118.132 119.950 -0.085 0.000 2.835 381 F HA 0.200 4.726 4.527 -0.002 0.000 0.342 381 F C 1.789 177.554 175.800 -0.059 0.000 1.202 381 F CA -0.667 57.280 58.000 -0.087 0.000 1.240 381 F CB -0.372 38.556 39.000 -0.120 0.000 1.005 381 F HN -0.169 nan 8.300 nan 0.000 0.507 382 S N 0.036 115.809 115.700 0.122 0.000 2.419 382 S HA -0.198 4.270 4.470 -0.003 0.000 0.235 382 S C 1.738 176.374 174.600 0.061 0.000 1.019 382 S CA 1.813 60.055 58.200 0.071 0.000 0.982 382 S CB -0.160 63.071 63.200 0.051 0.000 0.789 382 S HN 0.614 nan 8.310 nan 0.000 0.490 383 D N -0.588 119.860 120.400 0.079 0.000 2.369 383 D HA 0.215 4.853 4.640 -0.003 0.000 0.211 383 D C 1.240 177.563 176.300 0.038 0.000 1.077 383 D CA 0.800 54.835 54.000 0.057 0.000 0.842 383 D CB 0.060 40.903 40.800 0.072 0.000 0.947 383 D HN 0.433 nan 8.370 nan 0.000 0.509 384 G N 0.057 108.871 108.800 0.024 0.000 2.195 384 G HA2 -0.146 3.813 3.960 -0.003 0.000 0.224 384 G HA3 -0.146 3.813 3.960 -0.003 0.000 0.224 384 G C 1.144 175.976 174.900 -0.112 0.000 0.990 384 G CA 0.243 45.308 45.100 -0.059 0.000 0.639 384 G HN 1.336 nan 8.290 nan 0.000 0.514 385 G N -1.601 107.206 108.800 0.013 0.000 2.144 385 G HA2 0.210 4.168 3.960 -0.003 0.000 0.218 385 G HA3 0.210 4.168 3.960 -0.003 0.000 0.218 385 G C 1.197 176.193 174.900 0.161 0.000 0.988 385 G CA 1.466 46.616 45.100 0.083 0.000 0.659 385 G HN 1.861 nan 8.290 nan 0.000 0.522 386 R N 0.794 121.357 120.500 0.106 0.000 2.070 386 R HA 0.168 4.507 4.340 -0.003 0.000 0.232 386 R C 2.805 179.179 176.300 0.124 0.000 1.138 386 R CA 2.709 58.863 56.100 0.090 0.000 0.936 386 R CB -1.582 28.753 30.300 0.057 0.000 0.839 386 R HN 0.943 nan 8.270 nan 0.000 0.429 387 S N 0.276 116.057 115.700 0.135 0.000 2.380 387 S HA -0.183 4.286 4.470 -0.003 0.000 0.229 387 S C 1.828 176.538 174.600 0.183 0.000 1.043 387 S CA 1.558 59.839 58.200 0.135 0.000 1.038 387 S CB -0.531 62.746 63.200 0.129 0.000 0.872 387 S HN 0.583 nan 8.310 nan 0.000 0.456 388 F N 1.829 121.839 119.950 0.100 0.000 2.146 388 F HA 0.065 4.591 4.527 -0.003 0.000 0.298 388 F C 1.814 177.749 175.800 0.225 0.000 1.096 388 F CA 1.060 59.152 58.000 0.153 0.000 1.275 388 F CB -0.339 38.797 39.000 0.227 0.000 1.008 388 F HN 0.081 nan 8.300 nan 0.000 0.480 389 L N -0.278 121.075 121.223 0.216 0.000 2.291 389 L HA -0.148 4.190 4.340 -0.003 0.000 0.214 389 L C 2.298 179.231 176.870 0.106 0.000 1.120 389 L CA 0.699 55.632 54.840 0.155 0.000 0.799 389 L CB -0.544 41.581 42.059 0.110 0.000 0.925 389 L HN 0.185 nan 8.230 nan 0.000 0.446 390 Q N 0.533 120.364 119.800 0.052 0.000 2.181 390 Q HA -0.225 4.113 4.340 -0.003 0.000 0.205 390 Q C 1.679 177.640 176.000 -0.065 0.000 0.980 390 Q CA 1.793 57.598 55.803 0.004 0.000 0.862 390 Q CB -0.114 28.629 28.738 0.008 0.000 0.905 390 Q HN 0.502 nan 8.270 nan 0.000 0.429 391 N N -1.401 117.200 118.700 -0.164 0.000 2.519 391 N HA -0.097 4.641 4.740 -0.003 0.000 0.186 391 N C 0.167 175.373 175.510 -0.507 0.000 1.062 391 N CA 0.713 53.539 53.050 -0.373 0.000 0.910 391 N CB 0.073 38.213 38.487 -0.579 0.000 0.958 391 N HN 0.190 nan 8.380 nan 0.000 0.445 392 F N 0.468 120.314 119.950 -0.174 0.000 2.678 392 F HA 0.266 4.791 4.527 -0.003 0.000 0.305 392 F C 0.609 176.342 175.800 -0.111 0.000 1.090 392 F CA -0.453 57.457 58.000 -0.149 0.000 1.272 392 F CB 0.266 39.163 39.000 -0.172 0.000 1.060 392 F HN -0.274 nan 8.300 nan 0.000 0.576 393 K N 0.508 120.925 120.400 0.027 0.000 2.430 393 K HA 0.245 4.563 4.320 -0.003 0.000 0.280 393 K C 1.296 177.870 176.600 -0.044 0.000 1.063 393 K CA 1.086 57.367 56.287 -0.010 0.000 1.071 393 K CB -0.124 32.362 32.500 -0.023 0.000 0.899 393 K HN 0.390 nan 8.250 nan 0.000 0.473 394 G N 2.739 111.503 108.800 -0.060 0.000 2.196 394 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.268 394 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.268 394 G C -0.094 174.708 174.900 -0.163 0.000 0.975 394 G CA 0.470 45.505 45.100 -0.109 0.000 0.648 394 G HN 0.670 nan 8.290 nan 0.000 0.538 395 D N -0.536 119.799 120.400 -0.108 0.000 2.217 395 D HA 0.586 5.224 4.640 -0.003 0.000 0.248 395 D C 0.757 177.001 176.300 -0.094 0.000 1.008 395 D CA -0.899 53.044 54.000 -0.094 0.000 0.914 395 D CB 0.390 41.187 40.800 -0.004 0.000 1.182 395 D HN 0.002 nan 8.370 nan 0.000 0.451 396 F N 0.540 120.519 119.950 0.048 0.000 2.595 396 F HA 0.070 4.595 4.527 -0.002 0.000 0.359 396 F C 0.943 176.811 175.800 0.114 0.000 1.147 396 F CA -0.348 57.685 58.000 0.055 0.000 1.341 396 F CB 0.364 39.381 39.000 0.028 0.000 1.104 396 F HN -0.016 nan 8.300 nan 0.000 0.603 397 V N 0.312 120.383 119.914 0.262 0.000 2.439 397 V HA 0.310 4.428 4.120 -0.003 0.000 0.282 397 V C -0.170 176.018 176.094 0.156 0.000 1.039 397 V CA -1.002 61.406 62.300 0.180 0.000 0.913 397 V CB 1.436 33.263 31.823 0.006 0.000 0.983 397 V HN 0.741 nan 8.190 nan 0.000 0.460 398 D N 5.340 125.826 120.400 0.144 0.000 2.351 398 D HA 0.271 4.910 4.640 -0.003 0.000 0.251 398 D C -1.579 174.754 176.300 0.055 0.000 1.137 398 D CA -1.409 52.644 54.000 0.088 0.000 0.879 398 D CB 2.266 43.120 40.800 0.090 0.000 1.181 398 D HN 0.411 nan 8.370 nan 0.000 0.448 399 P HA -0.194 nan 4.420 nan 0.000 0.218 399 P C 1.568 178.870 177.300 0.003 0.000 1.150 399 P CA 1.084 64.192 63.100 0.013 0.000 0.841 399 P CB -0.093 31.608 31.700 0.001 0.000 0.784 400 C N -3.141 116.160 119.300 0.002 0.000 2.456 400 C HA 0.081 4.540 4.460 -0.003 0.000 0.279 400 C C 2.242 177.225 174.990 -0.012 0.000 1.427 400 C CA -0.081 58.924 59.018 -0.022 0.000 1.778 400 C CB -2.158 25.567 27.740 -0.025 0.000 1.842 400 C HN 0.053 nan 8.230 nan 0.000 0.531 401 L N 1.655 122.896 121.223 0.030 0.000 2.492 401 L HA 0.335 4.673 4.340 -0.003 0.000 0.223 401 L C 1.916 178.810 176.870 0.041 0.000 1.132 401 L CA 1.710 56.583 54.840 0.055 0.000 0.850 401 L CB -0.957 41.151 42.059 0.083 0.000 0.966 401 L HN 0.783 nan 8.230 nan 0.000 0.454 402 G N -0.460 108.353 108.800 0.022 0.000 2.547 402 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.271 402 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.271 402 G C 0.371 175.293 174.900 0.036 0.000 1.209 402 G CA 0.192 45.309 45.100 0.029 0.000 0.959 402 G HN 0.202 nan 8.290 nan 0.000 0.563 403 D N 0.458 120.895 120.400 0.062 0.000 2.328 403 D HA 0.148 4.787 4.640 -0.003 0.000 0.221 403 D C 2.353 178.687 176.300 0.056 0.000 1.072 403 D CA 0.262 54.294 54.000 0.054 0.000 0.850 403 D CB 0.386 41.226 40.800 0.066 0.000 0.922 403 D HN 0.270 nan 8.370 nan 0.000 0.516 404 L N 1.084 122.357 121.223 0.084 0.000 2.012 404 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 404 L C 1.833 178.701 176.870 -0.002 0.000 1.073 404 L CA 1.560 56.460 54.840 0.099 0.000 0.748 404 L CB -0.364 41.801 42.059 0.177 0.000 0.891 404 L HN -0.070 nan 8.230 nan 0.000 0.431 405 I N -0.792 119.737 120.570 -0.068 0.000 2.226 405 I HA -0.256 3.913 4.170 -0.003 0.000 0.245 405 I C 2.571 178.615 176.117 -0.122 0.000 1.100 405 I CA 1.416 62.610 61.300 -0.177 0.000 1.374 405 I CB -1.474 36.288 38.000 -0.396 0.000 1.057 405 I HN 0.367 nan 8.210 nan 0.000 0.413 406 L N 0.899 122.074 121.223 -0.081 0.000 2.012 406 L HA -0.189 4.149 4.340 -0.003 0.000 0.210 406 L C 2.447 179.285 176.870 -0.053 0.000 1.073 406 L CA 1.837 56.645 54.840 -0.053 0.000 0.748 406 L CB -0.289 41.756 42.059 -0.022 0.000 0.891 406 L HN 0.058 nan 8.230 nan 0.000 0.431 407 I N -0.910 119.627 120.570 -0.056 0.000 2.286 407 I HA -0.277 3.891 4.170 -0.003 0.000 0.245 407 I C 2.278 178.295 176.117 -0.166 0.000 1.104 407 I CA 1.101 62.347 61.300 -0.089 0.000 1.397 407 I CB -0.241 37.718 38.000 -0.069 0.000 1.072 407 I HN 0.242 nan 8.210 nan 0.000 0.417 408 L N 0.095 121.201 121.223 -0.196 0.000 2.131 408 L HA -0.155 4.183 4.340 -0.003 0.000 0.210 408 L C 2.573 179.354 176.870 -0.148 0.000 1.092 408 L CA 1.165 55.863 54.840 -0.237 0.000 0.759 408 L CB -0.501 41.424 42.059 -0.224 0.000 0.903 408 L HN 0.157 nan 8.230 nan 0.000 0.435 409 R N -0.086 120.351 120.500 -0.105 0.000 2.235 409 R HA 0.057 4.395 4.340 -0.003 0.000 0.213 409 R C 0.601 176.854 176.300 -0.077 0.000 1.059 409 R CA 0.171 56.225 56.100 -0.077 0.000 0.997 409 R CB -0.181 30.079 30.300 -0.066 0.000 0.884 409 R HN 0.303 nan 8.270 nan 0.000 0.462 410 L N 3.259 124.432 121.223 -0.082 0.000 2.485 410 L HA 0.080 4.418 4.340 -0.003 0.000 0.275 410 L C -1.784 175.014 176.870 -0.119 0.000 1.207 410 L CA -1.585 53.212 54.840 -0.071 0.000 0.855 410 L CB -0.067 42.007 42.059 0.025 0.000 1.114 410 L HN -0.106 nan 8.230 nan 0.000 0.485 411 P HA 0.087 nan 4.420 nan 0.000 0.272 411 P C 0.102 177.240 177.300 -0.270 0.000 1.230 411 P CA -0.376 62.601 63.100 -0.204 0.000 0.788 411 P CB 0.795 32.354 31.700 -0.235 0.000 0.949 412 S N 0.953 116.591 115.700 -0.102 0.000 2.383 412 S HA -0.104 4.364 4.470 -0.003 0.000 0.227 412 S C 1.799 176.386 174.600 -0.023 0.000 1.026 412 S CA 0.744 58.914 58.200 -0.050 0.000 0.981 412 S CB -0.930 62.286 63.200 0.028 0.000 0.818 412 S HN 0.725 nan 8.310 nan 0.000 0.472 413 W N 0.933 122.266 121.300 0.056 0.000 2.363 413 W HA -0.072 4.587 4.660 -0.003 0.000 0.296 413 W C 1.666 178.262 176.519 0.128 0.000 1.212 413 W CA 0.428 57.815 57.345 0.070 0.000 1.260 413 W CB -1.000 28.497 29.460 0.062 0.000 1.131 413 W HN 0.277 nan 8.180 nan 0.000 0.530 414 F N 2.391 121.704 119.950 -1.062 0.000 2.367 414 F HA 0.080 4.606 4.527 -0.002 0.000 0.298 414 F C 2.408 177.945 175.800 -0.439 0.000 1.094 414 F CA 1.375 58.787 58.000 -0.980 0.000 1.409 414 F CB -0.370 37.847 39.000 -1.305 0.000 1.064 414 F HN -0.284 nan 8.300 nan 0.000 0.528 415 K N 0.220 120.438 120.400 -0.304 0.000 2.025 415 K HA -0.124 4.194 4.320 -0.003 0.000 0.207 415 K C 2.551 179.019 176.600 -0.219 0.000 1.049 415 K CA 1.950 58.073 56.287 -0.274 0.000 0.933 415 K CB -0.376 32.001 32.500 -0.204 0.000 0.714 415 K HN 0.147 nan 8.250 nan 0.000 0.438 416 R N 0.843 121.269 120.500 -0.125 0.000 2.120 416 R HA -0.065 4.273 4.340 -0.003 0.000 0.234 416 R C 2.129 178.392 176.300 -0.061 0.000 1.123 416 R CA 1.755 57.819 56.100 -0.059 0.000 0.975 416 R CB -1.411 28.895 30.300 0.011 0.000 0.866 416 R HN 0.237 nan 8.270 nan 0.000 0.446 417 L N -0.018 121.160 121.223 -0.075 0.000 2.005 417 L HA 0.009 4.347 4.340 -0.003 0.000 0.207 417 L C 2.606 179.377 176.870 -0.165 0.000 1.072 417 L CA 1.582 56.384 54.840 -0.063 0.000 0.744 417 L CB -0.204 41.878 42.059 0.038 0.000 0.895 417 L HN 0.395 nan 8.230 nan 0.000 0.433 418 L N -1.227 119.789 121.223 -0.345 0.000 2.083 418 L HA -0.245 4.093 4.340 -0.003 0.000 0.209 418 L C 2.769 179.534 176.870 -0.176 0.000 1.083 418 L CA 1.546 56.194 54.840 -0.320 0.000 0.752 418 L CB -0.546 41.234 42.059 -0.465 0.000 0.899 418 L HN 0.482 nan 8.230 nan 0.000 0.433 419 S N 0.697 116.305 115.700 -0.154 0.000 2.351 419 S HA -0.208 4.260 4.470 -0.003 0.000 0.220 419 S C 1.939 176.506 174.600 -0.055 0.000 1.035 419 S CA 1.787 59.935 58.200 -0.086 0.000 1.031 419 S CB -0.413 62.743 63.200 -0.074 0.000 0.928 419 S HN 0.490 nan 8.310 nan 0.000 0.433 420 L N -0.436 120.758 121.223 -0.048 0.000 2.395 420 L HA 0.237 4.576 4.340 -0.003 0.000 0.218 420 L C 2.116 178.968 176.870 -0.030 0.000 1.130 420 L CA 1.248 56.072 54.840 -0.027 0.000 0.826 420 L CB -0.790 41.264 42.059 -0.009 0.000 0.941 420 L HN 0.365 nan 8.230 nan 0.000 0.451 421 L N -0.385 120.810 121.223 -0.046 0.000 2.418 421 L HA -0.034 4.305 4.340 -0.003 0.000 0.218 421 L C 2.076 178.916 176.870 -0.051 0.000 1.125 421 L CA 0.228 55.040 54.840 -0.047 0.000 0.835 421 L CB 0.136 42.161 42.059 -0.056 0.000 0.953 421 L HN 0.257 nan 8.230 nan 0.000 0.454 422 L N -0.777 120.421 121.223 -0.043 0.000 2.470 422 L HA 0.083 4.421 4.340 -0.003 0.000 0.219 422 L C 2.711 179.572 176.870 -0.015 0.000 1.071 422 L CA 1.344 56.173 54.840 -0.019 0.000 0.850 422 L CB -0.827 41.241 42.059 0.015 0.000 1.040 422 L HN 0.070 nan 8.230 nan 0.000 0.475 423 K N 1.114 121.505 120.400 -0.015 0.000 2.127 423 K HA -0.165 4.154 4.320 -0.003 0.000 0.208 423 K C -0.107 176.487 176.600 -0.011 0.000 1.047 423 K CA 2.102 58.387 56.287 -0.003 0.000 0.927 423 K CB -2.525 29.976 32.500 0.000 0.000 0.716 423 K HN 0.479 nan 8.250 nan 0.000 0.450 424 P HA -0.061 nan 4.420 nan 0.000 0.216 424 P C 1.130 178.372 177.300 -0.097 0.000 1.153 424 P CA 0.629 63.696 63.100 -0.056 0.000 0.844 424 P CB 0.081 31.741 31.700 -0.067 0.000 0.787 425 L N -1.622 119.491 121.223 -0.182 0.000 2.084 425 L HA 0.139 4.477 4.340 -0.003 0.000 0.202 425 L C 1.465 178.154 176.870 -0.301 0.000 1.074 425 L CA 1.358 55.953 54.840 -0.408 0.000 0.757 425 L CB -1.266 40.352 42.059 -0.734 0.000 0.918 425 L HN -0.099 nan 8.230 nan 0.000 0.444 426 F N 0.552 120.472 119.950 -0.051 0.000 2.622 426 F HA 0.247 4.773 4.527 -0.003 0.000 0.338 426 F C -1.465 174.265 175.800 -0.117 0.000 1.334 426 F CA -1.312 56.635 58.000 -0.089 0.000 1.179 426 F CB 1.148 40.063 39.000 -0.141 0.000 1.471 426 F HN 0.001 nan 8.300 nan 0.000 0.576 427 P HA -0.120 nan 4.420 nan 0.000 0.223 427 P C 1.477 178.746 177.300 -0.052 0.000 1.151 427 P CA 1.055 64.179 63.100 0.039 0.000 0.787 427 P CB 0.241 31.998 31.700 0.095 0.000 0.788 428 R N -0.017 120.350 120.500 -0.221 0.000 2.062 428 R HA 0.010 4.348 4.340 -0.003 0.000 0.231 428 R C 2.514 178.675 176.300 -0.231 0.000 1.136 428 R CA 1.270 57.167 56.100 -0.339 0.000 0.948 428 R CB -0.932 28.937 30.300 -0.718 0.000 0.845 428 R HN 0.261 nan 8.270 nan 0.000 0.430 429 L N -0.039 120.942 121.223 -0.403 0.000 2.201 429 L HA -0.037 4.301 4.340 -0.003 0.000 0.212 429 L C 2.636 179.485 176.870 -0.034 0.000 1.105 429 L CA 0.916 55.557 54.840 -0.332 0.000 0.775 429 L CB -0.705 41.058 42.059 -0.494 0.000 0.913 429 L HN 0.166 nan 8.230 nan 0.000 0.440 430 A N 0.836 123.635 122.820 -0.035 0.000 1.877 430 A HA -0.110 4.208 4.320 -0.003 0.000 0.216 430 A C 2.592 180.193 177.584 0.028 0.000 1.186 430 A CA 1.753 53.789 52.037 -0.003 0.000 0.620 430 A CB -0.658 18.343 19.000 0.002 0.000 0.822 430 A HN 0.379 nan 8.150 nan 0.000 0.443 431 A N -1.568 121.286 122.820 0.055 0.000 2.015 431 A HA 0.003 4.322 4.320 -0.003 0.000 0.219 431 A C 2.045 179.732 177.584 0.172 0.000 1.163 431 A CA 1.265 53.358 52.037 0.093 0.000 0.646 431 A CB -0.670 18.389 19.000 0.098 0.000 0.806 431 A HN 0.658 nan 8.150 nan 0.000 0.448 432 F N 0.163 120.138 119.950 0.042 0.000 2.102 432 F HA -0.150 4.376 4.527 -0.003 0.000 0.298 432 F C 1.854 177.683 175.800 0.048 0.000 1.105 432 F CA 1.570 59.638 58.000 0.114 0.000 1.239 432 F CB -0.036 39.078 39.000 0.191 0.000 0.991 432 F HN 0.152 nan 8.300 nan 0.000 0.474 433 L N 0.184 121.391 121.223 -0.027 0.000 2.217 433 L HA -0.194 4.144 4.340 -0.003 0.000 0.211 433 L C 2.188 178.975 176.870 -0.139 0.000 1.107 433 L CA 0.999 55.724 54.840 -0.193 0.000 0.783 433 L CB -0.787 41.180 42.059 -0.153 0.000 0.919 433 L HN 0.271 nan 8.230 nan 0.000 0.442 434 N N -0.301 118.366 118.700 -0.055 0.000 2.381 434 N HA -0.154 4.584 4.740 -0.003 0.000 0.182 434 N C 1.801 177.294 175.510 -0.029 0.000 1.025 434 N CA 1.376 54.404 53.050 -0.036 0.000 0.888 434 N CB 0.267 38.753 38.487 -0.003 0.000 0.965 434 N HN 0.374 nan 8.380 nan 0.000 0.438 435 S N -0.486 115.203 115.700 -0.019 0.000 2.503 435 S HA 0.106 4.574 4.470 -0.003 0.000 0.217 435 S C 1.715 176.317 174.600 0.004 0.000 0.999 435 S CA -0.106 58.104 58.200 0.017 0.000 0.914 435 S CB -0.064 63.181 63.200 0.076 0.000 0.782 435 S HN 0.224 nan 8.310 nan 0.000 0.520 436 M N 1.954 121.473 119.600 -0.135 0.000 2.659 436 M HA 0.159 4.637 4.480 -0.003 0.000 0.243 436 M C 1.139 177.330 176.300 -0.183 0.000 1.111 436 M CA 0.124 55.255 55.300 -0.281 0.000 1.070 436 M CB -0.089 32.208 32.600 -0.505 0.000 1.525 436 M HN 0.264 nan 8.290 nan 0.000 0.517 437 R N 2.820 123.257 120.500 -0.105 0.000 2.491 437 R HA 0.209 4.548 4.340 -0.003 0.000 0.283 437 R C -2.960 173.319 176.300 -0.035 0.000 1.072 437 R CA -1.200 54.860 56.100 -0.067 0.000 1.048 437 R CB -0.195 30.079 30.300 -0.043 0.000 0.983 437 R HN -0.070 nan 8.270 nan 0.000 0.450 438 P HA 0.304 nan 4.420 nan 0.000 0.280 438 P C -0.908 176.391 177.300 -0.002 0.000 1.244 438 P CA -0.282 62.814 63.100 -0.007 0.000 0.784 438 P CB 0.696 32.392 31.700 -0.006 0.000 0.913 439 R N 0.939 121.440 120.500 0.002 0.000 2.732 439 R HA 0.550 4.888 4.340 -0.003 0.000 0.278 439 R C 0.333 176.620 176.300 -0.022 0.000 0.976 439 R CA -0.746 55.350 56.100 -0.006 0.000 0.963 439 R CB 1.187 31.488 30.300 0.002 0.000 1.150 439 R HN 0.494 nan 8.270 nan 0.000 0.478 440 S N 0.627 116.303 115.700 -0.041 0.000 2.584 440 S HA 0.134 4.603 4.470 -0.003 0.000 0.270 440 S C 1.275 175.797 174.600 -0.130 0.000 1.346 440 S CA -0.217 57.934 58.200 -0.081 0.000 1.018 440 S CB 1.369 64.515 63.200 -0.090 0.000 0.899 440 S HN 0.749 nan 8.310 nan 0.000 0.542 441 A N 0.603 123.297 122.820 -0.210 0.000 1.940 441 A HA -0.145 4.174 4.320 -0.003 0.000 0.219 441 A C 2.113 179.315 177.584 -0.636 0.000 1.176 441 A CA 1.714 53.518 52.037 -0.389 0.000 0.631 441 A CB -1.115 17.609 19.000 -0.460 0.000 0.814 441 A HN 0.996 nan 8.150 nan 0.000 0.446 442 E N -0.564 119.339 120.200 -0.494 0.000 2.097 442 E HA -0.279 4.070 4.350 -0.003 0.000 0.196 442 E C 1.854 178.397 176.600 -0.095 0.000 1.000 442 E CA 1.739 57.947 56.400 -0.320 0.000 0.804 442 E CB -0.032 29.561 29.700 -0.178 0.000 0.740 442 E HN 0.433 nan 8.360 nan 0.000 0.454 443 K N 0.295 120.651 120.400 -0.072 0.000 2.167 443 K HA 0.053 4.371 4.320 -0.003 0.000 0.203 443 K C 1.932 178.565 176.600 0.055 0.000 1.052 443 K CA 0.232 56.525 56.287 0.009 0.000 0.956 443 K CB -0.172 32.327 32.500 -0.001 0.000 0.735 443 K HN 0.122 nan 8.250 nan 0.000 0.451 444 L N -0.677 120.569 121.223 0.039 0.000 2.056 444 L HA -0.190 4.148 4.340 -0.003 0.000 0.207 444 L C 1.570 178.598 176.870 0.263 0.000 1.078 444 L CA 1.169 56.081 54.840 0.120 0.000 0.749 444 L CB -0.196 41.930 42.059 0.111 0.000 0.901 444 L HN 0.337 nan 8.230 nan 0.000 0.433 445 W N 0.532 121.856 121.300 0.040 0.000 2.333 445 W HA -0.234 4.424 4.660 -0.002 0.000 0.316 445 W C 2.933 179.499 176.519 0.077 0.000 1.215 445 W CA 1.991 59.366 57.345 0.049 0.000 1.278 445 W CB -1.280 28.200 29.460 0.033 0.000 1.154 445 W HN 0.102 nan 8.180 nan 0.000 0.486 446 K N 0.520 121.112 120.400 0.321 0.000 2.113 446 K HA -0.157 4.161 4.320 -0.003 0.000 0.208 446 K C 1.962 178.681 176.600 0.197 0.000 1.047 446 K CA 1.891 58.320 56.287 0.237 0.000 0.928 446 K CB -1.277 31.326 32.500 0.172 0.000 0.716 446 K HN 0.342 nan 8.250 nan 0.000 0.446 447 L N 0.106 121.421 121.223 0.153 0.000 2.156 447 L HA -0.048 4.290 4.340 -0.003 0.000 0.208 447 L C 2.639 179.564 176.870 0.093 0.000 1.095 447 L CA 1.616 56.513 54.840 0.094 0.000 0.770 447 L CB -0.021 42.066 42.059 0.047 0.000 0.914 447 L HN 0.512 nan 8.230 nan 0.000 0.439 448 Q N -1.437 118.446 119.800 0.138 0.000 2.167 448 Q HA -0.241 4.097 4.340 -0.003 0.000 0.202 448 Q C 2.014 178.100 176.000 0.142 0.000 0.970 448 Q CA 1.488 57.362 55.803 0.118 0.000 0.855 448 Q CB -0.057 28.753 28.738 0.121 0.000 0.911 448 Q HN 0.637 nan 8.270 nan 0.000 0.438 449 H N 0.445 119.555 119.070 0.067 0.000 2.395 449 H HA -0.001 4.553 4.556 -0.003 0.000 0.299 449 H C 1.449 176.827 175.328 0.084 0.000 1.070 449 H CA 1.536 57.620 56.048 0.061 0.000 1.356 449 H CB 0.333 30.132 29.762 0.063 0.000 1.401 449 H HN 0.221 nan 8.280 nan 0.000 0.524 450 E N -0.108 120.099 120.200 0.012 0.000 2.077 450 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 450 E C 2.266 178.892 176.600 0.043 0.000 0.989 450 E CA 1.225 57.630 56.400 0.008 0.000 0.800 450 E CB -0.009 29.756 29.700 0.107 0.000 0.746 450 E HN 0.496 nan 8.360 nan 0.000 0.452 451 I N 1.609 122.197 120.570 0.030 0.000 2.226 451 I HA -0.277 3.891 4.170 -0.003 0.000 0.245 451 I C 2.722 178.879 176.117 0.066 0.000 1.100 451 I CA 1.288 62.608 61.300 0.034 0.000 1.374 451 I CB -0.317 37.678 38.000 -0.008 0.000 1.057 451 I HN 0.207 nan 8.210 nan 0.000 0.413 452 E N 1.043 121.271 120.200 0.048 0.000 2.150 452 E HA -0.260 4.088 4.350 -0.003 0.000 0.193 452 E C 2.192 178.806 176.600 0.023 0.000 0.985 452 E CA 1.253 57.683 56.400 0.051 0.000 0.814 452 E CB -0.222 29.526 29.700 0.080 0.000 0.752 452 E HN 0.477 nan 8.360 nan 0.000 0.466 453 M N -0.277 119.300 119.600 -0.038 0.000 2.288 453 M HA -0.052 4.426 4.480 -0.003 0.000 0.266 453 M C 2.038 178.354 176.300 0.026 0.000 1.072 453 M CA 1.133 56.401 55.300 -0.053 0.000 1.132 453 M CB -0.116 32.380 32.600 -0.174 0.000 1.386 453 M HN 0.181 nan 8.290 nan 0.000 0.432 454 Y N 0.439 120.726 120.300 -0.021 0.000 2.200 454 Y HA -0.202 4.347 4.550 -0.003 0.000 0.290 454 Y C 2.483 178.375 175.900 -0.013 0.000 1.137 454 Y CA 1.697 59.799 58.100 0.002 0.000 1.163 454 Y CB -0.132 38.343 38.460 0.026 0.000 0.988 454 Y HN 0.058 nan 8.280 nan 0.000 0.518 455 R N -0.074 120.437 120.500 0.019 0.000 2.083 455 R HA -0.260 4.078 4.340 -0.003 0.000 0.237 455 R C 2.309 178.607 176.300 -0.004 0.000 1.137 455 R CA 2.016 58.105 56.100 -0.019 0.000 0.951 455 R CB -0.302 30.037 30.300 0.065 0.000 0.851 455 R HN 0.319 nan 8.270 nan 0.000 0.434 456 Q N 0.178 119.980 119.800 0.004 0.000 2.124 456 Q HA -0.128 4.210 4.340 -0.003 0.000 0.202 456 Q C 2.032 178.026 176.000 -0.010 0.000 0.977 456 Q CA 2.275 58.087 55.803 0.014 0.000 0.850 456 Q CB -0.154 28.596 28.738 0.019 0.000 0.901 456 Q HN 0.447 nan 8.270 nan 0.000 0.429 457 S N -1.742 113.912 115.700 -0.077 0.000 2.406 457 S HA -0.051 4.417 4.470 -0.003 0.000 0.228 457 S C 1.937 176.483 174.600 -0.090 0.000 1.020 457 S CA 0.992 59.138 58.200 -0.090 0.000 0.965 457 S CB -0.421 62.708 63.200 -0.119 0.000 0.798 457 S HN 0.170 nan 8.310 nan 0.000 0.488 458 V N 2.042 121.844 119.914 -0.186 0.000 2.379 458 V HA -0.053 4.065 4.120 -0.003 0.000 0.245 458 V C 2.461 178.721 176.094 0.276 0.000 1.044 458 V CA 1.682 63.981 62.300 -0.002 0.000 1.036 458 V CB -0.727 31.001 31.823 -0.159 0.000 0.664 458 V HN 0.487 nan 8.190 nan 0.000 0.453 459 I N 0.685 121.382 120.570 0.210 0.000 2.185 459 I HA -0.332 3.837 4.170 -0.003 0.000 0.246 459 I C 2.613 178.837 176.117 0.177 0.000 1.088 459 I CA 1.780 63.173 61.300 0.155 0.000 1.347 459 I CB -0.521 37.511 38.000 0.053 0.000 1.041 459 I HN 0.319 nan 8.210 nan 0.000 0.415 460 A N -0.415 122.488 122.820 0.137 0.000 1.930 460 A HA -0.233 4.086 4.320 -0.003 0.000 0.217 460 A C 2.269 179.963 177.584 0.183 0.000 1.175 460 A CA 1.354 53.466 52.037 0.126 0.000 0.627 460 A CB -0.511 18.533 19.000 0.073 0.000 0.815 460 A HN 0.459 nan 8.150 nan 0.000 0.443 461 Q N -1.609 118.340 119.800 0.248 0.000 2.084 461 Q HA -0.186 4.153 4.340 -0.003 0.000 0.202 461 Q C 2.018 178.319 176.000 0.503 0.000 0.978 461 Q CA 1.387 57.411 55.803 0.368 0.000 0.844 461 Q CB -0.223 28.759 28.738 0.407 0.000 0.898 461 Q HN 0.922 nan 8.270 nan 0.000 0.426 462 W N 1.564 122.996 121.300 0.219 0.000 2.358 462 W HA -0.165 4.493 4.660 -0.003 0.000 0.303 462 W C 1.245 177.699 176.519 -0.108 0.000 1.208 462 W CA 1.176 58.452 57.345 -0.115 0.000 1.274 462 W CB 0.083 29.518 29.460 -0.042 0.000 1.138 462 W HN 0.019 nan 8.180 nan 0.000 0.515 463 K N 0.114 120.693 120.400 0.298 0.000 2.366 463 K HA -0.000 4.318 4.320 -0.003 0.000 0.198 463 K C 2.030 178.686 176.600 0.094 0.000 1.044 463 K CA 0.981 57.371 56.287 0.171 0.000 0.973 463 K CB -0.483 32.101 32.500 0.140 0.000 0.767 463 K HN 0.111 nan 8.250 nan 0.000 0.475 464 A N 0.655 123.542 122.820 0.112 0.000 2.014 464 A HA -0.044 4.274 4.320 -0.003 0.000 0.218 464 A C 1.941 179.560 177.584 0.058 0.000 1.163 464 A CA 1.074 53.164 52.037 0.087 0.000 0.652 464 A CB -0.124 18.944 19.000 0.114 0.000 0.808 464 A HN 0.165 nan 8.150 nan 0.000 0.449 465 M N -1.554 118.062 119.600 0.027 0.000 2.371 465 M HA 0.233 4.711 4.480 -0.003 0.000 0.246 465 M C 0.442 176.666 176.300 -0.128 0.000 1.103 465 M CA 0.077 55.353 55.300 -0.040 0.000 1.010 465 M CB -0.060 32.517 32.600 -0.040 0.000 1.457 465 M HN 0.458 nan 8.290 nan 0.000 0.486 466 N N 0.809 119.448 118.700 -0.102 0.000 2.716 466 N HA -0.172 4.566 4.740 -0.003 0.000 0.250 466 N C -1.127 174.264 175.510 -0.198 0.000 1.033 466 N CA 0.269 53.263 53.050 -0.094 0.000 0.727 466 N CB -0.851 37.609 38.487 -0.045 0.000 0.950 466 N HN 0.384 nan 8.380 nan 0.000 0.541 467 L N -0.595 120.359 121.223 -0.449 0.000 2.461 467 L HA 0.093 4.432 4.340 -0.003 0.000 0.272 467 L C 1.368 178.045 176.870 -0.321 0.000 1.197 467 L CA 0.051 54.490 54.840 -0.667 0.000 0.836 467 L CB 0.413 41.556 42.059 -1.526 0.000 1.105 467 L HN 0.260 nan 8.230 nan 0.000 0.477 468 D N 0.456 120.709 120.400 -0.245 0.000 2.338 468 D HA 0.152 4.791 4.640 -0.003 0.000 0.208 468 D C -0.021 176.301 176.300 0.037 0.000 0.997 468 D CA 0.805 54.782 54.000 -0.038 0.000 0.880 468 D CB 1.440 42.188 40.800 -0.086 0.000 0.980 468 D HN 0.194 nan 8.370 nan 0.000 0.509 469 V N 0.566 120.337 119.914 -0.239 0.000 3.264 469 V HA 0.341 4.459 4.120 -0.003 0.000 0.294 469 V C -1.976 173.830 176.094 -0.479 0.000 1.429 469 V CA -0.806 61.335 62.300 -0.265 0.000 1.053 469 V CB 3.100 34.558 31.823 -0.608 0.000 1.128 469 V HN -0.096 nan 8.190 nan 0.000 0.452 470 L N 3.259 124.360 121.223 -0.204 0.000 2.408 470 L HA 0.779 5.117 4.340 -0.003 0.000 0.268 470 L C -1.294 175.626 176.870 0.082 0.000 0.986 470 L CA -0.286 54.490 54.840 -0.107 0.000 0.820 470 L CB 1.717 43.836 42.059 0.100 0.000 1.303 470 L HN 0.655 nan 8.230 nan 0.000 0.411 471 L N 3.611 124.882 121.223 0.079 0.000 2.322 471 L HA 0.825 5.163 4.340 -0.003 0.000 0.281 471 L C -0.749 176.050 176.870 -0.118 0.000 1.014 471 L CA 0.410 55.322 54.840 0.120 0.000 0.815 471 L CB 1.917 44.107 42.059 0.217 0.000 1.247 471 L HN 0.708 nan 8.230 nan 0.000 0.421 472 T N 5.422 119.884 114.554 -0.153 0.000 2.952 472 T HA 0.468 4.816 4.350 -0.003 0.000 0.305 472 T C -2.800 171.802 174.700 -0.164 0.000 1.064 472 T CA -0.981 60.938 62.100 -0.303 0.000 1.008 472 T CB 2.059 70.851 68.868 -0.127 0.000 1.078 472 T HN 0.298 nan 8.240 nan 0.000 0.459 473 P HA 0.332 nan 4.420 nan 0.000 0.268 473 P C -0.856 176.239 177.300 -0.342 0.000 1.205 473 P CA -0.487 62.461 63.100 -0.253 0.000 0.771 473 P CB 0.393 31.881 31.700 -0.352 0.000 0.858 474 M N 3.947 123.398 119.600 -0.248 0.000 2.253 474 M HA 0.290 4.768 4.480 -0.003 0.000 0.314 474 M C -0.876 175.358 176.300 -0.110 0.000 1.019 474 M CA -0.968 54.227 55.300 -0.175 0.000 0.932 474 M CB 0.920 33.452 32.600 -0.114 0.000 1.606 474 M HN 0.131 nan 8.290 nan 0.000 0.430 475 L N 5.349 126.565 121.223 -0.012 0.000 2.822 475 L HA -0.054 4.285 4.340 -0.003 0.000 0.288 475 L C 0.847 177.897 176.870 0.299 0.000 1.182 475 L CA 1.260 56.221 54.840 0.201 0.000 0.936 475 L CB -0.589 41.733 42.059 0.438 0.000 1.269 475 L HN 1.079 nan 8.230 nan 0.000 0.476 476 G N 7.276 116.179 108.800 0.170 0.000 2.751 476 G HA2 0.042 4.000 3.960 -0.003 0.000 0.142 476 G HA3 0.042 4.000 3.960 -0.003 0.000 0.142 476 G C -2.287 172.645 174.900 0.054 0.000 1.783 476 G CA -0.218 44.927 45.100 0.074 0.000 1.018 476 G HN 0.622 nan 8.290 nan 0.000 0.474 477 P HA 0.311 nan 4.420 nan 0.000 0.271 477 P C -0.222 176.800 177.300 -0.462 0.000 1.218 477 P CA -0.081 62.898 63.100 -0.202 0.000 0.780 477 P CB 0.672 32.267 31.700 -0.175 0.000 0.901 478 A N 3.327 125.735 122.820 -0.686 0.000 2.584 478 A HA 0.078 4.396 4.320 -0.003 0.000 0.239 478 A C 0.371 177.517 177.584 -0.730 0.000 1.043 478 A CA 0.105 51.406 52.037 -1.227 0.000 0.756 478 A CB -0.792 17.816 19.000 -0.655 0.000 0.963 478 A HN 0.451 nan 8.150 nan 0.000 0.511 479 L N 2.269 123.050 121.223 -0.735 0.000 2.472 479 L HA 0.164 4.502 4.340 -0.003 0.000 0.260 479 L C 0.977 177.707 176.870 -0.234 0.000 1.209 479 L CA 0.332 54.976 54.840 -0.327 0.000 0.817 479 L CB 0.041 41.986 42.059 -0.190 0.000 1.106 479 L HN 0.674 nan 8.230 nan 0.000 0.479 480 D N -0.269 120.037 120.400 -0.158 0.000 2.352 480 D HA -0.010 4.629 4.640 -0.003 0.000 0.238 480 D C 1.115 177.352 176.300 -0.105 0.000 1.286 480 D CA -0.376 53.556 54.000 -0.113 0.000 0.923 480 D CB 0.583 41.332 40.800 -0.085 0.000 1.146 480 D HN 0.224 nan 8.370 nan 0.000 0.471 481 L N 1.159 122.336 121.223 -0.076 0.000 1.943 481 L HA -0.137 4.201 4.340 -0.003 0.000 0.215 481 L C 1.179 178.001 176.870 -0.079 0.000 1.074 481 L CA 1.776 56.577 54.840 -0.066 0.000 0.759 481 L CB -0.767 41.267 42.059 -0.043 0.000 0.888 481 L HN 0.366 nan 8.230 nan 0.000 0.433 482 N N -0.554 118.104 118.700 -0.070 0.000 2.802 482 N HA 0.068 4.806 4.740 -0.003 0.000 0.288 482 N C 0.742 176.195 175.510 -0.095 0.000 1.268 482 N CA 0.710 53.716 53.050 -0.075 0.000 1.035 482 N CB 0.264 38.723 38.487 -0.047 0.000 1.353 482 N HN 0.545 nan 8.380 nan 0.000 0.522 483 T N -4.038 110.432 114.554 -0.140 0.000 2.964 483 T HA 0.180 4.528 4.350 -0.003 0.000 0.249 483 T C -1.179 173.373 174.700 -0.246 0.000 1.000 483 T CA -0.038 61.973 62.100 -0.148 0.000 0.992 483 T CB -0.380 68.419 68.868 -0.116 0.000 1.087 483 T HN -0.051 nan 8.240 nan 0.000 0.489 484 P HA 0.050 nan 4.420 nan 0.000 0.219 484 P C 1.894 178.875 177.300 -0.532 0.000 1.146 484 P CA 1.321 63.869 63.100 -0.919 0.000 0.808 484 P CB -0.610 30.088 31.700 -1.670 0.000 0.779 485 G N 0.448 109.065 108.800 -0.304 0.000 2.432 485 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.219 485 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.219 485 G C 1.291 176.152 174.900 -0.065 0.000 1.135 485 G CA 0.338 45.360 45.100 -0.130 0.000 0.767 485 G HN 0.300 nan 8.290 nan 0.000 0.550 486 R N 0.230 120.691 120.500 -0.065 0.000 2.388 486 R HA 0.427 4.765 4.340 -0.003 0.000 0.247 486 R C 0.509 176.819 176.300 0.018 0.000 0.931 486 R CA 0.488 56.606 56.100 0.029 0.000 1.082 486 R CB 0.457 30.783 30.300 0.043 0.000 1.135 486 R HN 0.245 nan 8.270 nan 0.000 0.525 487 A N 0.661 123.379 122.820 -0.170 0.000 3.308 487 A HA 0.224 4.542 4.320 -0.003 0.000 0.275 487 A C 0.692 177.959 177.584 -0.529 0.000 0.950 487 A CA -0.467 51.404 52.037 -0.277 0.000 0.987 487 A CB 0.412 19.401 19.000 -0.018 0.000 1.146 487 A HN -0.023 nan 8.150 nan 0.000 0.488 488 T N -0.246 113.602 114.554 -1.177 0.000 2.929 488 T HA -0.079 4.269 4.350 -0.003 0.000 0.271 488 T C 2.005 176.045 174.700 -1.100 0.000 1.085 488 T CA 2.026 63.487 62.100 -1.065 0.000 1.125 488 T CB 0.012 68.240 68.868 -1.067 0.000 0.874 488 T HN 0.692 nan 8.240 nan 0.000 0.494 489 G N 0.765 108.750 108.800 -1.359 0.000 2.471 489 G HA2 0.013 3.971 3.960 -0.003 0.000 0.219 489 G HA3 0.013 3.971 3.960 -0.003 0.000 0.219 489 G C 1.699 176.548 174.900 -0.084 0.000 1.125 489 G CA 0.691 45.556 45.100 -0.392 0.000 0.775 489 G HN 0.557 nan 8.290 nan 0.000 0.548 490 A N 1.254 124.010 122.820 -0.106 0.000 2.067 490 A HA 0.052 4.370 4.320 -0.003 0.000 0.219 490 A C 2.242 179.809 177.584 -0.028 0.000 1.158 490 A CA 1.176 53.234 52.037 0.036 0.000 0.661 490 A CB -0.413 18.657 19.000 0.117 0.000 0.801 490 A HN 0.806 nan 8.150 nan 0.000 0.452 491 I N -1.467 118.988 120.570 -0.191 0.000 3.444 491 I HA -0.038 4.130 4.170 -0.003 0.000 0.287 491 I C 1.872 177.953 176.117 -0.060 0.000 1.302 491 I CA 1.103 62.349 61.300 -0.090 0.000 1.368 491 I CB -0.378 37.521 38.000 -0.168 0.000 1.048 491 I HN 0.223 nan 8.210 nan 0.000 0.487 492 S N 0.852 116.489 115.700 -0.104 0.000 2.400 492 S HA -0.239 4.229 4.470 -0.003 0.000 0.232 492 S C 1.871 176.368 174.600 -0.172 0.000 1.025 492 S CA 1.043 59.105 58.200 -0.230 0.000 0.993 492 S CB -1.022 61.984 63.200 -0.322 0.000 0.808 492 S HN 0.618 nan 8.310 nan 0.000 0.478 493 Y N 3.153 123.482 120.300 0.047 0.000 2.224 493 Y HA -0.072 4.476 4.550 -0.003 0.000 0.289 493 Y C 3.187 179.154 175.900 0.110 0.000 1.146 493 Y CA 1.457 59.631 58.100 0.123 0.000 1.182 493 Y CB -0.868 37.678 38.460 0.144 0.000 0.983 493 Y HN 0.605 nan 8.280 nan 0.000 0.524 494 T N -4.627 109.997 114.554 0.116 0.000 3.021 494 T HA -0.011 4.337 4.350 -0.003 0.000 0.245 494 T C 1.912 176.613 174.700 0.002 0.000 1.028 494 T CA 0.689 62.793 62.100 0.007 0.000 1.139 494 T CB -0.881 67.798 68.868 -0.316 0.000 0.884 494 T HN 0.090 nan 8.240 nan 0.000 0.457 495 V N 1.470 121.339 119.914 -0.075 0.000 2.759 495 V HA 0.016 4.135 4.120 -0.003 0.000 0.256 495 V C 2.341 178.324 176.094 -0.185 0.000 1.080 495 V CA 1.025 63.251 62.300 -0.123 0.000 1.101 495 V CB -0.612 31.120 31.823 -0.151 0.000 0.698 495 V HN 0.429 nan 8.190 nan 0.000 0.477 496 L N -0.421 120.645 121.223 -0.262 0.000 2.127 496 L HA -0.174 4.165 4.340 -0.003 0.000 0.211 496 L C 1.879 178.410 176.870 -0.565 0.000 1.089 496 L CA 2.247 56.802 54.840 -0.475 0.000 0.757 496 L CB -0.583 41.086 42.059 -0.650 0.000 0.899 496 L HN 0.501 nan 8.230 nan 0.000 0.434 497 Y N -1.718 118.533 120.300 -0.082 0.000 2.458 497 Y HA 0.146 4.695 4.550 -0.003 0.000 0.254 497 Y C 2.246 178.103 175.900 -0.072 0.000 1.120 497 Y CA 0.053 58.104 58.100 -0.082 0.000 1.282 497 Y CB -0.438 38.037 38.460 0.024 0.000 1.109 497 Y HN 0.232 nan 8.280 nan 0.000 0.526 498 N N -0.686 118.020 118.700 0.010 0.000 2.216 498 N HA -0.185 4.553 4.740 -0.003 0.000 0.183 498 N C 1.916 177.379 175.510 -0.077 0.000 1.017 498 N CA 1.356 54.385 53.050 -0.035 0.000 0.861 498 N CB -0.536 37.916 38.487 -0.058 0.000 0.986 498 N HN 0.354 nan 8.380 nan 0.000 0.428 499 C N 1.024 120.242 119.300 -0.137 0.000 2.446 499 C HA 0.076 4.534 4.460 -0.003 0.000 0.277 499 C C 2.558 177.473 174.990 -0.124 0.000 1.275 499 C CA 0.317 59.241 59.018 -0.157 0.000 1.727 499 C CB -1.099 26.497 27.740 -0.239 0.000 2.010 499 C HN 0.340 nan 8.230 nan 0.000 0.486 500 L N -0.015 121.093 121.223 -0.192 0.000 2.446 500 L HA 0.119 4.457 4.340 -0.003 0.000 0.219 500 L C 0.668 177.475 176.870 -0.106 0.000 1.116 500 L CA 1.013 55.672 54.840 -0.301 0.000 0.844 500 L CB -0.312 41.239 42.059 -0.846 0.000 0.970 500 L HN 0.322 nan 8.230 nan 0.000 0.457 501 D N 0.290 120.687 120.400 -0.005 0.000 2.828 501 D HA -0.256 4.382 4.640 -0.003 0.000 0.241 501 D C -0.643 175.809 176.300 0.253 0.000 1.142 501 D CA 0.691 54.732 54.000 0.068 0.000 0.755 501 D CB -1.187 39.612 40.800 -0.002 0.000 1.014 501 D HN 0.124 nan 8.370 nan 0.000 0.420 502 F N -0.151 119.782 119.950 -0.028 0.000 2.508 502 F HA 0.459 4.985 4.527 -0.003 0.000 0.325 502 F C -1.609 174.149 175.800 -0.071 0.000 1.090 502 F CA -2.655 55.308 58.000 -0.061 0.000 0.945 502 F CB 2.084 41.133 39.000 0.081 0.000 1.156 502 F HN -0.171 nan 8.300 nan 0.000 0.463 503 P HA 0.103 nan 4.420 nan 0.000 0.267 503 P C -1.336 175.973 177.300 0.016 0.000 1.209 503 P CA 0.129 63.225 63.100 -0.007 0.000 0.763 503 P CB 0.694 32.365 31.700 -0.048 0.000 0.816 504 A N 3.341 126.163 122.820 0.004 0.000 2.381 504 A HA 0.729 5.048 4.320 -0.003 0.000 0.299 504 A C -0.054 177.510 177.584 -0.033 0.000 1.049 504 A CA -0.454 51.561 52.037 -0.036 0.000 0.715 504 A CB 1.424 20.385 19.000 -0.065 0.000 1.222 504 A HN 0.530 nan 8.150 nan 0.000 0.428 505 G N -0.209 108.573 108.800 -0.030 0.000 2.537 505 G HA2 0.623 4.581 3.960 -0.003 0.000 0.323 505 G HA3 0.623 4.581 3.960 -0.003 0.000 0.323 505 G C -1.362 173.498 174.900 -0.067 0.000 1.207 505 G CA -0.696 44.382 45.100 -0.036 0.000 0.976 505 G HN 1.010 nan 8.290 nan 0.000 0.487 506 V N -0.034 119.837 119.914 -0.072 0.000 2.638 506 V HA 0.613 4.731 4.120 -0.003 0.000 0.306 506 V C -0.806 175.243 176.094 -0.075 0.000 1.052 506 V CA -0.732 61.516 62.300 -0.087 0.000 0.885 506 V CB 1.726 33.486 31.823 -0.105 0.000 0.999 506 V HN 0.718 nan 8.190 nan 0.000 0.424 507 V N 7.856 127.717 119.914 -0.089 0.000 2.577 507 V HA 0.720 4.838 4.120 -0.003 0.000 0.303 507 V C -2.521 173.527 176.094 -0.076 0.000 1.042 507 V CA -2.221 60.031 62.300 -0.080 0.000 0.872 507 V CB 2.838 34.599 31.823 -0.103 0.000 0.998 507 V HN 0.770 nan 8.190 nan 0.000 0.423 508 P HA 0.208 nan 4.420 nan 0.000 0.276 508 P C 0.321 177.589 177.300 -0.054 0.000 1.230 508 P CA 0.248 63.315 63.100 -0.057 0.000 0.776 508 P CB 1.552 33.224 31.700 -0.047 0.000 0.888 509 V N -0.205 119.674 119.914 -0.059 0.000 3.480 509 V HA 0.360 4.479 4.120 -0.003 0.000 0.263 509 V C 0.470 176.540 176.094 -0.040 0.000 1.442 509 V CA 0.635 62.904 62.300 -0.053 0.000 1.053 509 V CB 0.346 32.130 31.823 -0.066 0.000 0.846 509 V HN 0.656 nan 8.190 nan 0.000 0.440 510 T N 0.770 115.295 114.554 -0.047 0.000 2.775 510 T HA 0.525 4.873 4.350 -0.003 0.000 0.320 510 T C -0.641 174.021 174.700 -0.062 0.000 1.597 510 T CA 0.510 62.586 62.100 -0.040 0.000 1.022 510 T CB 1.704 70.553 68.868 -0.033 0.000 1.485 510 T HN 0.877 nan 8.240 nan 0.000 0.494 511 T N -0.131 114.395 114.554 -0.046 0.000 2.945 511 T HA 0.700 5.048 4.350 -0.003 0.000 0.286 511 T C -0.042 174.630 174.700 -0.046 0.000 1.025 511 T CA -0.693 61.368 62.100 -0.065 0.000 1.039 511 T CB 1.119 69.972 68.868 -0.025 0.000 1.068 511 T HN 0.517 nan 8.240 nan 0.000 0.497 512 V N 3.734 123.614 119.914 -0.056 0.000 2.485 512 V HA 0.263 4.381 4.120 -0.003 0.000 0.287 512 V C 1.475 177.559 176.094 -0.017 0.000 1.022 512 V CA -0.053 62.223 62.300 -0.041 0.000 1.067 512 V CB -0.079 31.711 31.823 -0.056 0.000 0.967 512 V HN 1.214 nan 8.190 nan 0.000 0.479 513 T N 2.895 117.443 114.554 -0.010 0.000 2.816 513 T HA 0.478 4.826 4.350 -0.003 0.000 0.282 513 T C 1.367 176.066 174.700 -0.002 0.000 0.993 513 T CA -0.075 62.025 62.100 -0.000 0.000 0.994 513 T CB 1.484 70.354 68.868 0.002 0.000 1.025 513 T HN 0.707 nan 8.240 nan 0.000 0.529 514 A N 0.314 123.136 122.820 0.003 0.000 2.019 514 A HA 0.128 4.446 4.320 -0.003 0.000 0.219 514 A C 2.522 180.107 177.584 0.001 0.000 1.164 514 A CA 1.877 53.915 52.037 0.002 0.000 0.644 514 A CB -1.678 17.325 19.000 0.006 0.000 0.805 514 A HN 1.137 nan 8.150 nan 0.000 0.449 515 E N 0.179 120.381 120.200 0.003 0.000 2.158 515 E HA -0.176 4.172 4.350 -0.003 0.000 0.191 515 E C 1.626 178.228 176.600 0.004 0.000 0.982 515 E CA 1.155 57.559 56.400 0.006 0.000 0.823 515 E CB -0.721 28.984 29.700 0.008 0.000 0.766 515 E HN 0.684 nan 8.360 nan 0.000 0.468 516 D N 0.461 120.861 120.400 -0.001 0.000 2.117 516 D HA -0.136 4.502 4.640 -0.003 0.000 0.197 516 D C 1.476 177.767 176.300 -0.016 0.000 0.987 516 D CA 1.755 55.751 54.000 -0.007 0.000 0.829 516 D CB -0.341 40.449 40.800 -0.016 0.000 0.961 516 D HN 0.462 nan 8.370 nan 0.000 0.460 517 D N -0.235 120.153 120.400 -0.019 0.000 2.269 517 D HA 0.006 4.644 4.640 -0.003 0.000 0.208 517 D C 1.912 178.204 176.300 -0.014 0.000 0.963 517 D CA 0.795 54.780 54.000 -0.025 0.000 0.864 517 D CB 0.192 40.977 40.800 -0.025 0.000 0.936 517 D HN 0.097 nan 8.370 nan 0.000 0.505 518 A N -0.010 122.808 122.820 -0.003 0.000 1.872 518 A HA -0.081 4.238 4.320 -0.003 0.000 0.214 518 A C 2.268 179.859 177.584 0.012 0.000 1.187 518 A CA 1.926 53.965 52.037 0.005 0.000 0.614 518 A CB -1.266 17.738 19.000 0.007 0.000 0.826 518 A HN 0.299 nan 8.150 nan 0.000 0.442 519 Q N -1.364 118.445 119.800 0.016 0.000 2.541 519 Q HA 0.183 4.521 4.340 -0.003 0.000 0.215 519 Q C 1.715 177.741 176.000 0.044 0.000 0.977 519 Q CA 1.630 57.451 55.803 0.031 0.000 0.934 519 Q CB -0.857 27.901 28.738 0.033 0.000 0.988 519 Q HN 0.631 nan 8.270 nan 0.000 0.521 520 M N 0.469 120.080 119.600 0.019 0.000 2.334 520 M HA 0.105 4.584 4.480 -0.003 0.000 0.266 520 M C 2.138 178.462 176.300 0.039 0.000 1.082 520 M CA 1.538 56.838 55.300 0.001 0.000 1.141 520 M CB -0.201 32.364 32.600 -0.057 0.000 1.380 520 M HN 0.563 nan 8.290 nan 0.000 0.440 521 E N -0.337 119.885 120.200 0.036 0.000 2.347 521 E HA 0.147 4.495 4.350 -0.003 0.000 0.196 521 E C 1.657 178.299 176.600 0.069 0.000 1.008 521 E CA 1.348 57.776 56.400 0.046 0.000 0.852 521 E CB -1.414 28.302 29.700 0.027 0.000 0.783 521 E HN 0.631 nan 8.360 nan 0.000 0.505 522 L N -0.604 120.665 121.223 0.077 0.000 2.728 522 L HA 0.614 4.952 4.340 -0.003 0.000 0.235 522 L C 0.900 177.832 176.870 0.104 0.000 1.197 522 L CA -0.143 54.740 54.840 0.071 0.000 0.992 522 L CB -1.433 40.656 42.059 0.051 0.000 1.263 522 L HN 0.546 nan 8.230 nan 0.000 0.484 523 Y N 1.383 121.677 120.300 -0.011 0.000 2.365 523 Y HA 0.533 5.082 4.550 -0.003 0.000 0.340 523 Y C 0.337 176.221 175.900 -0.027 0.000 1.016 523 Y CA -0.064 58.021 58.100 -0.024 0.000 1.196 523 Y CB 0.249 38.697 38.460 -0.020 0.000 1.167 523 Y HN 0.324 nan 8.280 nan 0.000 0.509 524 K N 4.343 124.529 120.400 -0.357 0.000 2.345 524 K HA 0.719 5.037 4.320 -0.003 0.000 0.255 524 K C 0.114 176.314 176.600 -0.667 0.000 0.934 524 K CA -0.399 55.657 56.287 -0.385 0.000 0.801 524 K CB 1.041 33.439 32.500 -0.170 0.000 1.137 524 K HN 1.044 nan 8.250 nan 0.000 0.424 525 G N -0.300 108.137 108.800 -0.604 0.000 2.653 525 G HA2 0.389 4.348 3.960 -0.003 0.000 0.265 525 G HA3 0.389 4.348 3.960 -0.003 0.000 0.265 525 G C 0.097 174.795 174.900 -0.337 0.000 1.237 525 G CA -0.142 44.629 45.100 -0.549 0.000 0.946 525 G HN 0.659 nan 8.290 nan 0.000 0.522 526 Y N -1.212 119.001 120.300 -0.145 0.000 2.583 526 Y HA 0.198 4.747 4.550 -0.003 0.000 0.293 526 Y C 1.557 177.131 175.900 -0.543 0.000 1.157 526 Y CA 0.415 58.311 58.100 -0.339 0.000 1.315 526 Y CB -0.085 38.122 38.460 -0.422 0.000 1.021 526 Y HN 0.432 nan 8.280 nan 0.000 0.536 527 F N -2.777 117.190 119.950 0.028 0.000 2.835 527 F HA 0.323 4.849 4.527 -0.003 0.000 0.341 527 F C 2.007 177.817 175.800 0.018 0.000 0.940 527 F CA 0.396 58.398 58.000 0.004 0.000 1.125 527 F CB 0.464 39.434 39.000 -0.050 0.000 0.974 527 F HN -0.096 nan 8.300 nan 0.000 0.601 528 G N 1.395 110.289 108.800 0.156 0.000 2.196 528 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.268 528 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.268 528 G C 0.001 174.938 174.900 0.061 0.000 0.975 528 G CA 0.823 45.983 45.100 0.100 0.000 0.648 528 G HN 0.469 nan 8.290 nan 0.000 0.538 529 D N -0.040 120.344 120.400 -0.026 0.000 2.393 529 D HA 0.356 4.995 4.640 -0.003 0.000 0.246 529 D C 2.103 178.215 176.300 -0.314 0.000 1.275 529 D CA -0.311 53.434 54.000 -0.426 0.000 0.979 529 D CB 0.113 40.478 40.800 -0.726 0.000 1.101 529 D HN 0.506 nan 8.370 nan 0.000 0.505 530 I N -1.609 118.675 120.570 -0.478 0.000 2.567 530 I HA -0.152 4.017 4.170 -0.003 0.000 0.257 530 I C 0.689 176.809 176.117 0.005 0.000 1.184 530 I CA 0.911 62.072 61.300 -0.232 0.000 1.451 530 I CB -0.486 37.360 38.000 -0.256 0.000 1.089 530 I HN 0.342 nan 8.210 nan 0.000 0.441 531 W N 2.194 123.409 121.300 -0.142 0.000 2.388 531 W HA -0.108 4.550 4.660 -0.003 0.000 0.294 531 W C 2.343 178.865 176.519 0.005 0.000 1.212 531 W CA 0.869 58.169 57.345 -0.076 0.000 1.271 531 W CB -1.268 28.128 29.460 -0.107 0.000 1.126 531 W HN 0.277 nan 8.180 nan 0.000 0.535 532 D N -0.001 120.545 120.400 0.243 0.000 2.117 532 D HA -0.154 4.484 4.640 -0.003 0.000 0.197 532 D C 2.158 178.580 176.300 0.203 0.000 0.987 532 D CA 1.420 55.552 54.000 0.220 0.000 0.829 532 D CB -0.378 40.502 40.800 0.134 0.000 0.961 532 D HN 0.013 nan 8.370 nan 0.000 0.460 533 I N 0.489 121.131 120.570 0.121 0.000 2.202 533 I HA -0.155 4.013 4.170 -0.003 0.000 0.242 533 I C 2.545 178.714 176.117 0.088 0.000 1.091 533 I CA 0.647 62.004 61.300 0.094 0.000 1.368 533 I CB -1.051 36.975 38.000 0.043 0.000 1.058 533 I HN -0.023 nan 8.210 nan 0.000 0.410 534 I N 0.593 121.214 120.570 0.085 0.000 2.179 534 I HA -0.294 3.874 4.170 -0.003 0.000 0.242 534 I C 2.553 178.699 176.117 0.050 0.000 1.088 534 I CA 1.179 62.516 61.300 0.061 0.000 1.357 534 I CB -0.344 37.696 38.000 0.067 0.000 1.051 534 I HN 0.131 nan 8.210 nan 0.000 0.409 535 L N 1.030 122.306 121.223 0.090 0.000 2.042 535 L HA -0.248 4.091 4.340 -0.003 0.000 0.210 535 L C 2.483 179.341 176.870 -0.020 0.000 1.076 535 L CA 2.009 56.886 54.840 0.062 0.000 0.749 535 L CB -0.705 41.441 42.059 0.144 0.000 0.893 535 L HN 0.189 nan 8.230 nan 0.000 0.432 536 K N 0.206 120.647 120.400 0.068 0.000 2.074 536 K HA -0.212 4.106 4.320 -0.003 0.000 0.209 536 K C 2.072 178.652 176.600 -0.033 0.000 1.048 536 K CA 2.584 58.892 56.287 0.034 0.000 0.926 536 K CB -0.321 32.331 32.500 0.254 0.000 0.713 536 K HN 0.275 nan 8.250 nan 0.000 0.444 537 K N 0.093 120.489 120.400 -0.007 0.000 2.166 537 K HA 0.301 4.619 4.320 -0.003 0.000 0.201 537 K C 2.284 178.854 176.600 -0.050 0.000 1.052 537 K CA 0.993 57.267 56.287 -0.021 0.000 0.969 537 K CB -0.997 31.502 32.500 -0.003 0.000 0.761 537 K HN 0.394 nan 8.250 nan 0.000 0.459 538 A N 1.085 123.870 122.820 -0.058 0.000 1.902 538 A HA -0.040 4.278 4.320 -0.003 0.000 0.217 538 A C 2.444 179.956 177.584 -0.120 0.000 1.181 538 A CA 1.824 53.811 52.037 -0.084 0.000 0.623 538 A CB -0.397 18.554 19.000 -0.081 0.000 0.818 538 A HN 0.503 nan 8.150 nan 0.000 0.443 539 M N -0.003 119.513 119.600 -0.140 0.000 2.549 539 M HA -0.020 4.458 4.480 -0.003 0.000 0.260 539 M C 1.369 177.579 176.300 -0.149 0.000 1.076 539 M CA 1.000 56.196 55.300 -0.175 0.000 1.090 539 M CB -0.836 31.629 32.600 -0.226 0.000 1.418 539 M HN 0.437 nan 8.290 nan 0.000 0.486 540 K N 1.383 121.713 120.400 -0.116 0.000 2.180 540 K HA 0.092 4.411 4.320 -0.003 0.000 0.251 540 K C 0.681 177.237 176.600 -0.073 0.000 1.014 540 K CA -0.214 56.023 56.287 -0.083 0.000 0.913 540 K CB -0.105 32.361 32.500 -0.057 0.000 1.008 540 K HN 0.485 nan 8.250 nan 0.000 0.490 541 N N -0.175 118.493 118.700 -0.053 0.000 2.771 541 N HA -0.143 4.595 4.740 -0.003 0.000 0.249 541 N C -0.601 174.883 175.510 -0.044 0.000 1.069 541 N CA 0.951 53.976 53.050 -0.041 0.000 0.688 541 N CB -1.172 37.294 38.487 -0.035 0.000 0.928 541 N HN 0.582 nan 8.380 nan 0.000 0.551 542 S N -0.676 114.995 115.700 -0.047 0.000 2.846 542 S HA 0.145 4.614 4.470 -0.003 0.000 0.249 542 S C 0.306 174.887 174.600 -0.032 0.000 1.028 542 S CA -0.329 57.837 58.200 -0.056 0.000 1.043 542 S CB 1.149 64.292 63.200 -0.094 0.000 0.990 542 S HN 0.242 nan 8.310 nan 0.000 0.564 543 V N 2.445 122.353 119.914 -0.010 0.000 2.434 543 V HA 0.399 4.518 4.120 -0.003 0.000 0.281 543 V C 1.404 177.518 176.094 0.033 0.000 1.005 543 V CA 0.789 63.093 62.300 0.005 0.000 1.089 543 V CB -0.661 31.168 31.823 0.009 0.000 0.978 543 V HN 0.672 nan 8.190 nan 0.000 0.474 544 G N 4.068 112.885 108.800 0.029 0.000 2.131 544 G HA2 -0.184 3.775 3.960 -0.003 0.000 0.223 544 G HA3 -0.184 3.775 3.960 -0.003 0.000 0.223 544 G C -0.127 174.802 174.900 0.048 0.000 0.990 544 G CA -0.313 44.831 45.100 0.073 0.000 0.671 544 G HN 0.553 nan 8.290 nan 0.000 0.521 545 L N 1.874 123.059 121.223 -0.063 0.000 2.312 545 L HA 0.386 4.724 4.340 -0.003 0.000 0.281 545 L C -1.444 175.237 176.870 -0.315 0.000 1.070 545 L CA -1.925 52.781 54.840 -0.224 0.000 0.805 545 L CB 1.205 43.159 42.059 -0.175 0.000 1.174 545 L HN -0.024 nan 8.230 nan 0.000 0.434 546 P HA 0.067 nan 4.420 nan 0.000 0.268 546 P C -0.880 176.296 177.300 -0.207 0.000 1.205 546 P CA -0.075 62.783 63.100 -0.403 0.000 0.771 546 P CB 1.186 32.553 31.700 -0.555 0.000 0.858 547 V N 2.348 122.182 119.914 -0.133 0.000 2.604 547 V HA 0.665 4.783 4.120 -0.003 0.000 0.305 547 V C 0.449 176.506 176.094 -0.061 0.000 1.043 547 V CA -0.781 61.477 62.300 -0.070 0.000 0.888 547 V CB 1.666 33.452 31.823 -0.062 0.000 0.995 547 V HN 0.774 nan 8.190 nan 0.000 0.429 548 A N 3.497 126.294 122.820 -0.039 0.000 2.288 548 A HA 0.939 5.257 4.320 -0.003 0.000 0.328 548 A C -0.855 176.686 177.584 -0.071 0.000 1.123 548 A CA -0.690 51.313 52.037 -0.056 0.000 0.861 548 A CB 1.867 20.836 19.000 -0.052 0.000 1.272 548 A HN 0.676 nan 8.150 nan 0.000 0.490 549 V N 0.107 119.968 119.914 -0.088 0.000 2.769 549 V HA 0.499 4.618 4.120 -0.003 0.000 0.312 549 V C -0.413 175.616 176.094 -0.108 0.000 1.061 549 V CA -0.495 61.745 62.300 -0.100 0.000 0.931 549 V CB 1.835 33.596 31.823 -0.104 0.000 1.010 549 V HN 1.006 nan 8.190 nan 0.000 0.433 550 Q N 3.660 123.401 119.800 -0.098 0.000 2.307 550 Q HA 0.489 4.827 4.340 -0.003 0.000 0.262 550 Q C -1.418 174.551 176.000 -0.051 0.000 0.961 550 Q CA -0.431 55.320 55.803 -0.087 0.000 0.882 550 Q CB 1.456 30.146 28.738 -0.079 0.000 1.264 550 Q HN 0.784 nan 8.270 nan 0.000 0.446 551 C N 3.563 122.844 119.300 -0.032 0.000 2.355 551 C HA 0.815 5.274 4.460 -0.003 0.000 0.332 551 C C -0.490 174.550 174.990 0.083 0.000 1.255 551 C CA -0.556 58.525 59.018 0.104 0.000 1.792 551 C CB 0.819 28.591 27.740 0.054 0.000 2.300 551 C HN 0.699 nan 8.230 nan 0.000 0.515 552 V N 2.209 122.204 119.914 0.134 0.000 2.841 552 V HA 0.921 5.040 4.120 -0.003 0.000 0.310 552 V C 0.066 176.273 176.094 0.188 0.000 1.090 552 V CA -0.212 62.122 62.300 0.056 0.000 0.930 552 V CB 1.821 33.550 31.823 -0.158 0.000 1.014 552 V HN 1.143 nan 8.190 nan 0.000 0.425 553 A N 2.985 125.860 122.820 0.091 0.000 2.513 553 A HA 0.917 5.235 4.320 -0.003 0.000 0.285 553 A C -0.961 176.331 177.584 -0.485 0.000 1.234 553 A CA -0.801 51.242 52.037 0.009 0.000 0.739 553 A CB 1.123 20.127 19.000 0.007 0.000 1.324 553 A HN 0.726 nan 8.150 nan 0.000 0.432 554 L N 0.874 121.659 121.223 -0.730 0.000 2.472 554 L HA 0.261 4.600 4.340 -0.003 0.000 0.260 554 L C -2.019 174.406 176.870 -0.741 0.000 1.209 554 L CA -1.587 52.557 54.840 -1.160 0.000 0.817 554 L CB 0.468 41.991 42.059 -0.892 0.000 1.106 554 L HN 0.396 nan 8.230 nan 0.000 0.479 555 P HA -0.118 nan 4.420 nan 0.000 0.264 555 P C -0.831 176.321 177.300 -0.247 0.000 1.183 555 P CA 0.523 63.306 63.100 -0.529 0.000 0.763 555 P CB 0.099 31.524 31.700 -0.459 0.000 0.807 556 W N 0.130 121.364 121.300 -0.110 0.000 1.828 556 W HA -0.184 4.475 4.660 -0.003 0.000 0.253 556 W C 0.484 176.956 176.519 -0.078 0.000 1.019 556 W CA -0.006 57.295 57.345 -0.073 0.000 0.447 556 W CB -2.087 27.330 29.460 -0.072 0.000 2.033 556 W HN 0.353 nan 8.180 nan 0.000 1.268 557 Q N 0.824 120.648 119.800 0.040 0.000 2.735 557 Q HA 0.153 4.491 4.340 -0.003 0.000 0.380 557 Q C 1.168 177.171 176.000 0.005 0.000 1.060 557 Q CA 0.303 56.108 55.803 0.005 0.000 1.025 557 Q CB 0.536 29.243 28.738 -0.053 0.000 1.350 557 Q HN 0.306 nan 8.270 nan 0.000 0.424 558 E N 1.242 121.465 120.200 0.038 0.000 2.118 558 E HA -0.214 4.134 4.350 -0.003 0.000 0.195 558 E C 1.611 178.245 176.600 0.057 0.000 0.992 558 E CA 1.527 57.960 56.400 0.055 0.000 0.804 558 E CB 0.347 30.109 29.700 0.104 0.000 0.741 558 E HN 0.487 nan 8.360 nan 0.000 0.458 559 E N 0.054 120.253 120.200 -0.001 0.000 2.276 559 E HA -0.074 4.274 4.350 -0.003 0.000 0.193 559 E C 2.053 178.697 176.600 0.073 0.000 0.983 559 E CA 0.241 56.613 56.400 -0.047 0.000 0.861 559 E CB -0.347 29.086 29.700 -0.445 0.000 0.817 559 E HN 0.233 nan 8.360 nan 0.000 0.485 560 L N 1.569 122.820 121.223 0.047 0.000 2.083 560 L HA -0.064 4.274 4.340 -0.003 0.000 0.209 560 L C 2.463 179.413 176.870 0.132 0.000 1.083 560 L CA 1.422 56.308 54.840 0.077 0.000 0.752 560 L CB -0.770 41.311 42.059 0.035 0.000 0.899 560 L HN 0.302 nan 8.230 nan 0.000 0.433 561 C N -0.788 118.583 119.300 0.119 0.000 2.429 561 C HA -0.153 4.306 4.460 -0.003 0.000 0.277 561 C C 2.746 177.852 174.990 0.193 0.000 1.262 561 C CA 1.043 60.157 59.018 0.160 0.000 1.733 561 C CB -1.042 26.756 27.740 0.096 0.000 2.010 561 C HN 0.614 nan 8.230 nan 0.000 0.483 562 L N 0.353 121.687 121.223 0.186 0.000 2.109 562 L HA -0.063 4.275 4.340 -0.003 0.000 0.207 562 L C 3.013 180.110 176.870 0.378 0.000 1.086 562 L CA 1.254 56.230 54.840 0.227 0.000 0.760 562 L CB -0.784 41.360 42.059 0.142 0.000 0.910 562 L HN 0.339 nan 8.230 nan 0.000 0.437 563 R N 0.258 120.999 120.500 0.402 0.000 2.091 563 R HA -0.244 4.095 4.340 -0.003 0.000 0.238 563 R C 2.318 178.745 176.300 0.212 0.000 1.136 563 R CA 1.909 58.162 56.100 0.255 0.000 0.959 563 R CB -0.608 29.787 30.300 0.158 0.000 0.856 563 R HN 0.343 nan 8.270 nan 0.000 0.437 564 F N 0.614 120.588 119.950 0.041 0.000 2.186 564 F HA -0.149 4.376 4.527 -0.003 0.000 0.299 564 F C 2.315 178.108 175.800 -0.011 0.000 1.090 564 F CA 1.125 59.112 58.000 -0.022 0.000 1.307 564 F CB 0.011 38.991 39.000 -0.034 0.000 1.019 564 F HN -0.015 nan 8.300 nan 0.000 0.489 565 M N -0.232 119.342 119.600 -0.043 0.000 2.213 565 M HA -0.193 4.285 4.480 -0.003 0.000 0.263 565 M C 2.272 178.533 176.300 -0.066 0.000 1.062 565 M CA 1.454 56.676 55.300 -0.130 0.000 1.105 565 M CB -0.402 32.188 32.600 -0.017 0.000 1.385 565 M HN 0.078 nan 8.290 nan 0.000 0.417 566 R N 0.283 120.809 120.500 0.044 0.000 2.075 566 R HA -0.193 4.146 4.340 -0.003 0.000 0.232 566 R C 2.003 178.297 176.300 -0.010 0.000 1.126 566 R CA 1.728 57.860 56.100 0.053 0.000 0.963 566 R CB -0.013 30.344 30.300 0.094 0.000 0.858 566 R HN 0.226 nan 8.270 nan 0.000 0.435 567 E N -0.263 119.919 120.200 -0.029 0.000 2.047 567 E HA -0.122 4.226 4.350 -0.003 0.000 0.191 567 E C 1.807 178.347 176.600 -0.101 0.000 0.987 567 E CA 1.403 57.783 56.400 -0.033 0.000 0.799 567 E CB -0.018 29.686 29.700 0.006 0.000 0.752 567 E HN 0.137 nan 8.360 nan 0.000 0.449 568 V N 0.867 120.639 119.914 -0.237 0.000 2.307 568 V HA -0.237 3.882 4.120 -0.003 0.000 0.245 568 V C 2.403 178.407 176.094 -0.151 0.000 1.045 568 V CA 2.179 64.315 62.300 -0.274 0.000 1.024 568 V CB -0.598 30.922 31.823 -0.504 0.000 0.651 568 V HN 0.398 nan 8.190 nan 0.000 0.449 569 E N -0.289 119.840 120.200 -0.118 0.000 2.033 569 E HA -0.320 4.029 4.350 -0.003 0.000 0.199 569 E C 2.377 178.956 176.600 -0.035 0.000 1.011 569 E CA 1.770 58.135 56.400 -0.059 0.000 0.815 569 E CB -0.214 29.468 29.700 -0.030 0.000 0.755 569 E HN 0.495 nan 8.360 nan 0.000 0.451 570 Q N 0.158 119.943 119.800 -0.025 0.000 2.181 570 Q HA -0.162 4.176 4.340 -0.003 0.000 0.205 570 Q C 2.347 178.344 176.000 -0.005 0.000 0.980 570 Q CA 1.164 56.963 55.803 -0.006 0.000 0.862 570 Q CB -0.061 28.679 28.738 0.003 0.000 0.905 570 Q HN 0.423 nan 8.270 nan 0.000 0.429 571 L N -0.696 120.519 121.223 -0.015 0.000 2.179 571 L HA -0.116 4.223 4.340 -0.003 0.000 0.208 571 L C 2.176 179.037 176.870 -0.015 0.000 1.096 571 L CA 0.515 55.349 54.840 -0.009 0.000 0.779 571 L CB -0.151 41.904 42.059 -0.007 0.000 0.922 571 L HN 0.204 nan 8.230 nan 0.000 0.443 572 M N -1.761 117.823 119.600 -0.027 0.000 2.657 572 M HA 0.144 4.623 4.480 -0.003 0.000 0.262 572 M C 1.068 177.361 176.300 -0.012 0.000 1.213 572 M CA 0.644 55.930 55.300 -0.025 0.000 1.182 572 M CB -0.504 32.071 32.600 -0.042 0.000 1.303 572 M HN 0.028 nan 8.290 nan 0.000 0.501 573 T N 0.000 114.548 114.554 -0.009 0.000 3.816 573 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 573 T CA 0.000 62.103 62.100 0.005 0.000 1.349 573 T CB 0.000 68.873 68.868 0.008 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658