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 1hzu_1_A DATA FIRST_RESID 23 DATA SEQUENCE VRTNGAPDMS ESEFNEAKQI YFQRCAGCHG VLRKGATGKP LTPDITQQRG DATA SEQUENCE QQYLEALITY GTPLGMPNWG SSGELSKEQI TLMAKYIQHT PPQPPEWGMP DATA SEQUENCE EMRESWKVLV KPEDRPKKQL NDLDLPNLFS VTLRDAGQIA LVDGDSKKIV DATA SEQUENCE KVIDTGYAVH ISRMSASGRY LLVIGRDARI DMIDLWAKEP TKVAEIKIGI DATA SEQUENCE EARSVESSKF KGYEDRYTIA GAYWPPQFAI MDGETLEPKQ IVSTRGMTVD DATA SEQUENCE TQTYHPEPRV AAIIASHEHP EFIVNVKETG KVLLVNYKDI DNLTVTSIGA DATA SEQUENCE APFLADGGWD SSHRYFMTAA NNSNKVAVID SKDRRLSALV DVGKTPHPGR DATA SEQUENCE GANFVHPKYG PVWSTSHLGD GSISLIGTDP KNHPQYAWKK VAELQGQGGG DATA SEQUENCE SLFIKTHPKS SHLYVDTTFN PDARISQSVA VFDLKNLDAK YQVLPIAEWA DATA SEQUENCE DLGEGAKRVV QPEYNKRGDE VWFSVWNGKN DSSALVVVDD KTLKLKAVVK DATA SEQUENCE DPRLITPTGK FNVYNTQHDV Y 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.012 176.094 -0.137 0.000 1.182 23 V CA 0.000 62.130 62.300 -0.283 0.000 1.235 23 V CB 0.000 31.518 31.823 -0.508 0.000 1.184 24 R N 1.687 122.146 120.500 -0.068 0.000 2.514 24 R HA 0.768 5.108 4.340 -0.000 0.000 0.296 24 R C -0.603 175.762 176.300 0.107 0.000 1.012 24 R CA -0.488 55.667 56.100 0.091 0.000 0.897 24 R CB 2.568 32.883 30.300 0.026 0.000 1.184 24 R HN 0.585 nan 8.270 nan 0.000 0.440 25 T N 0.255 114.942 114.554 0.220 0.000 2.952 25 T HA 0.184 4.534 4.350 -0.000 0.000 0.286 25 T C 0.960 175.655 174.700 -0.008 0.000 1.024 25 T CA -0.727 61.443 62.100 0.116 0.000 1.029 25 T CB 0.813 69.777 68.868 0.161 0.000 1.094 25 T HN 0.505 nan 8.240 nan 0.000 0.515 26 N N 1.246 119.932 118.700 -0.023 0.000 2.651 26 N HA -0.003 4.737 4.740 -0.000 0.000 0.193 26 N C 1.009 176.490 175.510 -0.048 0.000 1.149 26 N CA 0.726 53.756 53.050 -0.033 0.000 0.933 26 N CB 0.138 38.609 38.487 -0.026 0.000 0.974 26 N HN 0.770 nan 8.380 nan 0.000 0.448 27 G N -1.637 107.117 108.800 -0.076 0.000 4.417 27 G HA2 0.452 4.412 3.960 -0.000 0.000 0.221 27 G HA3 0.452 4.412 3.960 -0.000 0.000 0.221 27 G C -0.385 174.455 174.900 -0.099 0.000 1.003 27 G CA 0.405 45.460 45.100 -0.075 0.000 0.832 27 G HN 0.423 nan 8.290 nan 0.000 0.356 28 A N 0.066 122.793 122.820 -0.155 0.000 2.605 28 A HA 0.832 5.152 4.320 -0.000 0.000 0.294 28 A C -3.000 174.446 177.584 -0.231 0.000 1.062 28 A CA -1.166 50.768 52.037 -0.171 0.000 0.682 28 A CB 0.626 19.517 19.000 -0.182 0.000 1.278 28 A HN 0.007 nan 8.150 nan 0.000 0.410 29 P HA -0.155 nan 4.420 nan 0.000 0.240 29 P C -0.840 176.490 177.300 0.049 0.000 1.057 29 P CA 1.218 64.294 63.100 -0.040 0.000 0.792 29 P CB -0.191 31.503 31.700 -0.010 0.000 0.669 30 D N 4.027 124.477 120.400 0.082 0.000 2.390 30 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 30 D C 1.045 177.432 176.300 0.145 0.000 1.144 30 D CA 0.460 54.550 54.000 0.149 0.000 0.880 30 D CB 0.709 41.552 40.800 0.072 0.000 1.182 30 D HN 0.310 nan 8.370 nan 0.000 0.451 31 M N -1.037 118.659 119.600 0.160 0.000 3.022 31 M HA 0.661 5.141 4.480 -0.000 0.000 0.289 31 M C -0.884 175.435 176.300 0.031 0.000 1.256 31 M CA -0.769 54.596 55.300 0.109 0.000 0.750 31 M CB 1.964 34.665 32.600 0.167 0.000 1.788 31 M HN 0.090 nan 8.290 nan 0.000 0.428 32 S N -0.943 114.780 115.700 0.038 0.000 2.776 32 S HA 0.245 4.715 4.470 -0.000 0.000 0.292 32 S C 0.160 174.800 174.600 0.067 0.000 1.187 32 S CA -0.519 57.685 58.200 0.007 0.000 0.834 32 S CB 1.874 65.081 63.200 0.012 0.000 1.199 32 S HN 0.813 nan 8.310 nan 0.000 0.514 33 E N 0.781 121.007 120.200 0.044 0.000 2.273 33 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 33 E C 1.080 177.742 176.600 0.103 0.000 1.002 33 E CA 1.141 57.598 56.400 0.095 0.000 0.828 33 E CB 0.016 29.742 29.700 0.045 0.000 0.747 33 E HN 0.374 nan 8.360 nan 0.000 0.491 34 S N -0.927 114.815 115.700 0.071 0.000 2.556 34 S HA 0.088 4.558 4.470 -0.000 0.000 0.216 34 S C 0.853 175.484 174.600 0.052 0.000 0.970 34 S CA -0.137 58.096 58.200 0.056 0.000 0.912 34 S CB 0.202 63.424 63.200 0.036 0.000 0.790 34 S HN 0.266 nan 8.310 nan 0.000 0.504 35 E N -0.503 119.743 120.200 0.078 0.000 2.290 35 E HA 0.111 4.461 4.350 -0.000 0.000 0.199 35 E C 1.261 177.920 176.600 0.099 0.000 0.912 35 E CA 0.108 56.551 56.400 0.072 0.000 0.924 35 E CB -0.021 29.729 29.700 0.083 0.000 0.901 35 E HN 0.435 nan 8.360 nan 0.000 0.487 36 F N 3.034 122.979 119.950 -0.008 0.000 2.039 36 F HA -0.116 4.411 4.527 -0.000 0.000 0.294 36 F C 1.909 177.701 175.800 -0.014 0.000 1.130 36 F CA 1.419 59.425 58.000 0.010 0.000 1.189 36 F CB -0.265 38.725 39.000 -0.018 0.000 0.983 36 F HN -0.112 nan 8.300 nan 0.000 0.471 37 N N 0.673 119.403 118.700 0.050 0.000 2.192 37 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 37 N C 1.901 177.330 175.510 -0.135 0.000 1.013 37 N CA 1.565 54.581 53.050 -0.055 0.000 0.863 37 N CB -0.535 37.996 38.487 0.073 0.000 0.990 37 N HN 0.599 nan 8.380 nan 0.000 0.430 38 E N 0.737 120.871 120.200 -0.110 0.000 2.047 38 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 38 E C 1.877 178.336 176.600 -0.236 0.000 0.987 38 E CA 0.977 57.304 56.400 -0.121 0.000 0.799 38 E CB 0.000 29.658 29.700 -0.070 0.000 0.752 38 E HN 0.292 nan 8.360 nan 0.000 0.449 39 A N 1.589 124.201 122.820 -0.346 0.000 1.902 39 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 39 A C 2.122 179.140 177.584 -0.944 0.000 1.181 39 A CA 1.714 53.409 52.037 -0.570 0.000 0.623 39 A CB -0.506 18.166 19.000 -0.546 0.000 0.818 39 A HN 0.229 nan 8.150 nan 0.000 0.443 40 K N -0.799 118.991 120.400 -1.016 0.000 2.032 40 K HA -0.283 4.037 4.320 -0.000 0.000 0.209 40 K C 2.294 178.724 176.600 -0.285 0.000 1.048 40 K CA 1.933 57.730 56.287 -0.817 0.000 0.927 40 K CB -0.167 32.037 32.500 -0.494 0.000 0.712 40 K HN 0.423 nan 8.250 nan 0.000 0.441 41 Q N 1.096 120.796 119.800 -0.166 0.000 2.030 41 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 41 Q C 1.883 177.851 176.000 -0.054 0.000 0.986 41 Q CA 2.003 57.801 55.803 -0.009 0.000 0.843 41 Q CB -0.219 28.505 28.738 -0.022 0.000 0.904 41 Q HN 0.463 nan 8.270 nan 0.000 0.420 42 I N -0.489 119.976 120.570 -0.175 0.000 2.286 42 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 42 I C 1.988 177.946 176.117 -0.266 0.000 1.115 42 I CA 1.296 62.469 61.300 -0.212 0.000 1.392 42 I CB -0.416 37.426 38.000 -0.263 0.000 1.065 42 I HN 0.281 nan 8.210 nan 0.000 0.418 43 Y N 1.376 121.403 120.300 -0.455 0.000 2.089 43 Y HA -0.290 4.259 4.550 -0.000 0.000 0.282 43 Y C 2.223 177.912 175.900 -0.350 0.000 1.139 43 Y CA 1.761 59.572 58.100 -0.481 0.000 1.123 43 Y CB -0.479 37.572 38.460 -0.683 0.000 0.980 43 Y HN -0.021 nan 8.280 nan 0.000 0.493 44 F N 0.120 120.047 119.950 -0.039 0.000 2.365 44 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 44 F C 2.287 178.010 175.800 -0.129 0.000 1.090 44 F CA 1.114 59.084 58.000 -0.051 0.000 1.408 44 F CB -0.456 38.603 39.000 0.097 0.000 1.060 44 F HN 0.186 nan 8.300 nan 0.000 0.534 45 Q N -0.360 119.450 119.800 0.016 0.000 2.297 45 Q HA 0.105 4.445 4.340 -0.000 0.000 0.203 45 Q C 1.979 177.931 176.000 -0.080 0.000 0.931 45 Q CA 0.895 56.686 55.803 -0.020 0.000 0.885 45 Q CB 0.105 28.857 28.738 0.023 0.000 0.991 45 Q HN 0.403 nan 8.270 nan 0.000 0.498 46 R N -1.595 118.799 120.500 -0.176 0.000 2.394 46 R HA 0.207 4.547 4.340 -0.000 0.000 0.220 46 R C 1.686 177.846 176.300 -0.232 0.000 0.887 46 R CA 0.285 56.276 56.100 -0.183 0.000 1.034 46 R CB 0.683 30.790 30.300 -0.322 0.000 1.179 46 R HN 0.136 nan 8.270 nan 0.000 0.561 47 C N -0.683 118.356 119.300 -0.435 0.000 2.800 47 C HA 0.353 4.813 4.460 -0.000 0.000 0.379 47 C C 2.477 177.165 174.990 -0.504 0.000 1.304 47 C CA 0.039 58.776 59.018 -0.468 0.000 1.960 47 C CB 0.258 27.599 27.740 -0.665 0.000 2.599 47 C HN 0.460 nan 8.230 nan 0.000 0.578 48 A N 1.605 123.987 122.820 -0.731 0.000 2.076 48 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 48 A C 2.265 179.809 177.584 -0.066 0.000 1.160 48 A CA 1.911 53.748 52.037 -0.333 0.000 0.653 48 A CB -1.066 17.897 19.000 -0.061 0.000 0.801 48 A HN 0.577 nan 8.150 nan 0.000 0.455 49 G N -1.225 107.530 108.800 -0.075 0.000 2.450 49 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.220 49 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.220 49 G C 1.350 176.233 174.900 -0.028 0.000 1.130 49 G CA 1.544 46.627 45.100 -0.028 0.000 0.760 49 G HN 0.559 nan 8.290 nan 0.000 0.557 50 C N -1.687 117.586 119.300 -0.044 0.000 2.964 50 C HA 0.339 4.798 4.460 -0.000 0.000 0.358 50 C C 1.865 176.716 174.990 -0.232 0.000 1.289 50 C CA -0.324 58.619 59.018 -0.125 0.000 1.856 50 C CB -0.417 27.229 27.740 -0.156 0.000 2.488 50 C HN 0.469 nan 8.230 nan 0.000 0.604 51 H N 1.094 120.189 119.070 0.041 0.000 2.539 51 H HA 0.296 4.852 4.556 -0.000 0.000 0.269 51 H C 1.256 176.682 175.328 0.162 0.000 0.980 51 H CA 1.244 57.359 56.048 0.111 0.000 1.152 51 H CB 0.028 29.891 29.762 0.167 0.000 1.407 51 H HN 0.571 nan 8.280 nan 0.000 0.564 52 G N 0.290 109.210 108.800 0.201 0.000 2.777 52 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.686 52 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.686 52 G C 0.744 175.822 174.900 0.297 0.000 1.177 52 G CA -0.051 45.179 45.100 0.217 0.000 0.775 52 G HN 0.185 nan 8.290 nan 0.000 0.613 53 V N 2.129 122.191 119.914 0.246 0.000 2.407 53 V HA -0.035 4.085 4.120 -0.000 0.000 0.248 53 V C 2.376 178.625 176.094 0.258 0.000 1.055 53 V CA 2.581 65.049 62.300 0.281 0.000 1.049 53 V CB -0.297 31.520 31.823 -0.009 0.000 0.662 53 V HN 0.564 nan 8.190 nan 0.000 0.455 54 L N -0.655 120.633 121.223 0.108 0.000 2.769 54 L HA 0.352 4.692 4.340 -0.000 0.000 0.240 54 L C 1.216 178.108 176.870 0.037 0.000 1.163 54 L CA 0.045 54.908 54.840 0.040 0.000 0.962 54 L CB 0.004 42.053 42.059 -0.018 0.000 1.258 54 L HN 0.259 nan 8.230 nan 0.000 0.513 55 R N -0.873 119.697 120.500 0.117 0.000 3.989 55 R HA -0.231 4.109 4.340 -0.000 0.000 0.377 55 R C 1.067 177.429 176.300 0.103 0.000 1.158 55 R CA 0.798 56.972 56.100 0.123 0.000 1.035 55 R CB -1.751 28.526 30.300 -0.040 0.000 1.557 55 R HN 0.329 nan 8.270 nan 0.000 0.551 56 K N 1.018 121.472 120.400 0.090 0.000 2.442 56 K HA 0.008 4.328 4.320 -0.000 0.000 0.198 56 K C 1.021 177.677 176.600 0.094 0.000 1.042 56 K CA 0.837 57.168 56.287 0.073 0.000 0.958 56 K CB 0.158 32.694 32.500 0.060 0.000 0.766 56 K HN 0.544 nan 8.250 nan 0.000 0.474 57 G N 0.050 108.928 108.800 0.130 0.000 2.705 57 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 57 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 57 G C -0.678 174.270 174.900 0.080 0.000 1.285 57 G CA -0.629 44.541 45.100 0.117 0.000 0.800 57 G HN 0.405 nan 8.290 nan 0.000 0.611 58 A N -0.150 122.690 122.820 0.034 0.000 2.594 58 A HA 0.983 5.303 4.320 -0.000 0.000 0.307 58 A C 1.497 179.064 177.584 -0.030 0.000 1.203 58 A CA 0.850 52.910 52.037 0.038 0.000 0.644 58 A CB -0.230 18.815 19.000 0.076 0.000 1.349 58 A HN 2.368 nan 8.150 nan 0.000 0.510 59 T N 0.228 114.765 114.554 -0.028 0.000 2.409 59 T HA -0.328 4.022 4.350 -0.000 0.000 0.197 59 T C 1.226 175.873 174.700 -0.088 0.000 1.524 59 T CA 2.786 64.859 62.100 -0.045 0.000 0.983 59 T CB -1.479 67.356 68.868 -0.055 0.000 0.774 59 T HN 1.861 nan 8.240 nan 0.000 0.477 60 G N 1.208 109.858 108.800 -0.251 0.000 2.562 60 G HA2 0.505 4.465 3.960 -0.000 0.000 0.275 60 G HA3 0.505 4.465 3.960 -0.000 0.000 0.275 60 G C -0.306 174.524 174.900 -0.118 0.000 1.196 60 G CA -0.742 44.170 45.100 -0.313 0.000 0.908 60 G HN 0.517 nan 8.290 nan 0.000 0.524 61 K N 0.971 121.418 120.400 0.080 0.000 2.230 61 K HA 0.195 4.515 4.320 -0.000 0.000 0.253 61 K C -2.107 174.633 176.600 0.233 0.000 1.008 61 K CA -1.031 55.337 56.287 0.136 0.000 0.910 61 K CB 0.513 33.095 32.500 0.136 0.000 0.994 61 K HN 0.305 nan 8.250 nan 0.000 0.495 62 P HA 0.013 nan 4.420 nan 0.000 0.271 62 P C -0.537 176.838 177.300 0.126 0.000 1.216 62 P CA 0.317 63.507 63.100 0.149 0.000 0.776 62 P CB 0.484 32.234 31.700 0.083 0.000 0.881 63 L N 2.441 123.722 121.223 0.096 0.000 3.100 63 L HA 0.173 4.513 4.340 -0.000 0.000 0.259 63 L C 1.145 177.982 176.870 -0.054 0.000 1.316 63 L CA -0.330 54.507 54.840 -0.005 0.000 0.992 63 L CB -0.060 41.945 42.059 -0.090 0.000 1.390 63 L HN 0.391 nan 8.230 nan 0.000 0.550 64 T N -4.025 110.512 114.554 -0.028 0.000 2.828 64 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 64 T C -1.769 172.893 174.700 -0.063 0.000 1.019 64 T CA -1.478 60.590 62.100 -0.053 0.000 1.031 64 T CB 1.285 70.137 68.868 -0.026 0.000 1.001 64 T HN -0.079 nan 8.240 nan 0.000 0.531 65 P HA -0.185 nan 4.420 nan 0.000 0.214 65 P C 1.310 178.577 177.300 -0.054 0.000 1.169 65 P CA 1.635 64.688 63.100 -0.078 0.000 0.908 65 P CB -0.146 31.508 31.700 -0.076 0.000 0.791 66 D N -0.359 120.017 120.400 -0.040 0.000 2.133 66 D HA -0.204 4.436 4.640 -0.000 0.000 0.192 66 D C 1.938 178.227 176.300 -0.019 0.000 1.001 66 D CA 1.533 55.516 54.000 -0.028 0.000 0.844 66 D CB -1.473 39.315 40.800 -0.021 0.000 0.944 66 D HN 0.211 nan 8.370 nan 0.000 0.447 67 I N 0.829 121.393 120.570 -0.011 0.000 2.163 67 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 67 I C 2.553 178.680 176.117 0.016 0.000 1.081 67 I CA 1.855 63.159 61.300 0.008 0.000 1.353 67 I CB -0.716 37.296 38.000 0.020 0.000 1.054 67 I HN 0.224 nan 8.210 nan 0.000 0.407 68 T N -1.612 112.940 114.554 -0.003 0.000 2.833 68 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 68 T C 1.757 176.457 174.700 0.000 0.000 1.054 68 T CA 1.075 63.175 62.100 0.000 0.000 1.135 68 T CB -0.366 68.476 68.868 -0.043 0.000 0.869 68 T HN 0.387 nan 8.240 nan 0.000 0.466 69 Q N 0.326 120.112 119.800 -0.023 0.000 2.016 69 Q HA -0.111 4.228 4.340 -0.000 0.000 0.200 69 Q C 2.672 178.665 176.000 -0.012 0.000 0.978 69 Q CA 1.308 57.093 55.803 -0.030 0.000 0.833 69 Q CB -0.247 28.463 28.738 -0.047 0.000 0.895 69 Q HN 0.506 nan 8.270 nan 0.000 0.427 70 Q N 0.595 120.388 119.800 -0.010 0.000 2.197 70 Q HA -0.211 4.129 4.340 -0.000 0.000 0.207 70 Q C 1.779 177.771 176.000 -0.015 0.000 0.984 70 Q CA 1.314 57.107 55.803 -0.016 0.000 0.869 70 Q CB 0.144 28.870 28.738 -0.020 0.000 0.906 70 Q HN 0.222 nan 8.270 nan 0.000 0.426 71 R N -0.467 120.051 120.500 0.031 0.000 2.115 71 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 71 R C 0.978 177.345 176.300 0.112 0.000 1.100 71 R CA 0.931 57.084 56.100 0.087 0.000 0.980 71 R CB -0.997 29.521 30.300 0.364 0.000 0.875 71 R HN 0.354 nan 8.270 nan 0.000 0.445 72 G N 1.222 110.069 108.800 0.078 0.000 2.728 72 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.686 72 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.686 72 G C 0.432 175.381 174.900 0.083 0.000 1.337 72 G CA 0.233 45.368 45.100 0.059 0.000 0.861 72 G HN 0.235 nan 8.290 nan 0.000 0.597 73 Q N 0.255 120.082 119.800 0.044 0.000 2.103 73 Q HA -0.270 4.070 4.340 -0.000 0.000 0.213 73 Q C 2.584 178.618 176.000 0.055 0.000 1.008 73 Q CA 3.245 59.071 55.803 0.038 0.000 0.879 73 Q CB -0.165 28.588 28.738 0.024 0.000 0.946 73 Q HN 0.703 nan 8.270 nan 0.000 0.413 74 Q N -1.015 118.829 119.800 0.074 0.000 2.020 74 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 74 Q C 2.006 178.086 176.000 0.133 0.000 0.982 74 Q CA 1.955 57.811 55.803 0.089 0.000 0.838 74 Q CB -0.736 28.054 28.738 0.088 0.000 0.899 74 Q HN 0.694 nan 8.270 nan 0.000 0.423 75 Y N 1.216 121.531 120.300 0.024 0.000 2.114 75 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 75 Y C 2.194 178.115 175.900 0.034 0.000 1.165 75 Y CA 1.320 59.439 58.100 0.031 0.000 1.148 75 Y CB -0.180 38.292 38.460 0.020 0.000 0.972 75 Y HN 0.034 nan 8.280 nan 0.000 0.504 76 L N 0.159 121.372 121.223 -0.016 0.000 2.012 76 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 76 L C 2.358 179.165 176.870 -0.106 0.000 1.073 76 L CA 1.943 56.715 54.840 -0.114 0.000 0.748 76 L CB -0.700 41.342 42.059 -0.028 0.000 0.891 76 L HN 0.326 nan 8.230 nan 0.000 0.431 77 E N 0.159 120.331 120.200 -0.046 0.000 2.110 77 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 77 E C 2.314 178.870 176.600 -0.073 0.000 0.988 77 E CA 1.126 57.497 56.400 -0.048 0.000 0.804 77 E CB -0.198 29.491 29.700 -0.019 0.000 0.745 77 E HN 0.518 nan 8.360 nan 0.000 0.458 78 A N 1.278 124.080 122.820 -0.031 0.000 1.877 78 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 78 A C 2.211 179.806 177.584 0.019 0.000 1.186 78 A CA 1.112 53.180 52.037 0.052 0.000 0.620 78 A CB -0.688 18.405 19.000 0.154 0.000 0.822 78 A HN 0.132 nan 8.150 nan 0.000 0.443 79 L N -0.576 120.578 121.223 -0.115 0.000 2.046 79 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 79 L C 2.504 179.356 176.870 -0.030 0.000 1.077 79 L CA 1.393 56.160 54.840 -0.121 0.000 0.747 79 L CB -0.449 41.428 42.059 -0.304 0.000 0.896 79 L HN 0.405 nan 8.230 nan 0.000 0.432 80 I N -0.669 119.881 120.570 -0.035 0.000 2.252 80 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 80 I C 2.688 178.860 176.117 0.092 0.000 1.102 80 I CA 1.747 63.089 61.300 0.071 0.000 1.385 80 I CB -0.672 37.332 38.000 0.007 0.000 1.064 80 I HN 0.421 nan 8.210 nan 0.000 0.414 81 T N -0.874 113.619 114.554 -0.102 0.000 2.701 81 T HA -0.192 4.158 4.350 -0.000 0.000 0.263 81 T C 1.763 176.267 174.700 -0.326 0.000 1.040 81 T CA 1.392 63.328 62.100 -0.275 0.000 1.147 81 T CB -0.703 67.809 68.868 -0.594 0.000 0.865 81 T HN 0.221 nan 8.240 nan 0.000 0.426 82 Y N 2.226 122.534 120.300 0.014 0.000 2.301 82 Y HA 0.440 4.990 4.550 -0.000 0.000 0.295 82 Y C 1.935 177.812 175.900 -0.038 0.000 1.119 82 Y CA -0.257 57.836 58.100 -0.012 0.000 1.162 82 Y CB -0.818 37.637 38.460 -0.008 0.000 1.046 82 Y HN 0.651 nan 8.280 nan 0.000 0.538 83 G N 0.275 109.132 108.800 0.094 0.000 2.755 83 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.686 83 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.686 83 G C -0.434 174.486 174.900 0.034 0.000 1.427 83 G CA -0.355 44.759 45.100 0.024 0.000 0.873 83 G HN 0.170 nan 8.290 nan 0.000 0.580 84 T N 3.211 117.773 114.554 0.014 0.000 2.928 84 T HA 0.652 5.002 4.350 -0.000 0.000 0.284 84 T C -0.756 173.945 174.700 0.002 0.000 1.008 84 T CA -0.549 61.561 62.100 0.017 0.000 1.057 84 T CB 2.121 71.005 68.868 0.026 0.000 1.018 84 T HN 0.553 nan 8.240 nan 0.000 0.493 85 P HA 0.112 nan 4.420 nan 0.000 0.237 85 P C 0.636 177.945 177.300 0.015 0.000 1.178 85 P CA 0.503 63.608 63.100 0.008 0.000 0.766 85 P CB 0.167 31.872 31.700 0.009 0.000 0.876 86 L N -0.925 120.306 121.223 0.013 0.000 2.688 86 L HA 0.325 4.665 4.340 -0.000 0.000 0.234 86 L C 1.567 178.459 176.870 0.036 0.000 1.192 86 L CA 0.473 55.323 54.840 0.017 0.000 0.984 86 L CB -0.541 41.519 42.059 0.001 0.000 1.232 86 L HN 0.131 nan 8.230 nan 0.000 0.465 87 G N -0.276 108.541 108.800 0.027 0.000 3.180 87 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.197 87 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.197 87 G C 0.193 175.070 174.900 -0.037 0.000 1.149 87 G CA -0.236 44.877 45.100 0.022 0.000 0.847 87 G HN 0.150 nan 8.290 nan 0.000 0.469 88 M N 4.612 124.201 119.600 -0.018 0.000 2.390 88 M HA 0.485 4.965 4.480 -0.000 0.000 0.353 88 M C -2.132 174.071 176.300 -0.161 0.000 1.623 88 M CA -2.414 52.874 55.300 -0.020 0.000 1.065 88 M CB 0.162 32.796 32.600 0.056 0.000 2.025 88 M HN 0.145 nan 8.290 nan 0.000 0.461 89 P HA 0.190 nan 4.420 nan 0.000 0.274 89 P C -1.350 175.552 177.300 -0.663 0.000 1.237 89 P CA -0.197 62.456 63.100 -0.745 0.000 0.793 89 P CB 0.272 31.104 31.700 -1.448 0.000 0.977 90 N N 0.976 119.317 118.700 -0.597 0.000 2.439 90 N HA 0.087 4.827 4.740 -0.000 0.000 0.249 90 N C -0.287 174.957 175.510 -0.443 0.000 1.003 90 N CA -0.589 52.254 53.050 -0.345 0.000 0.942 90 N CB 0.185 38.584 38.487 -0.146 0.000 1.115 90 N HN 0.463 nan 8.380 nan 0.000 0.505 91 W N 1.719 122.982 121.300 -0.063 0.000 2.640 91 W HA 0.283 4.943 4.660 -0.000 0.000 0.268 91 W C 2.027 178.517 176.519 -0.048 0.000 1.263 91 W CA 0.323 57.643 57.345 -0.042 0.000 1.344 91 W CB 0.038 29.467 29.460 -0.051 0.000 1.093 91 W HN 0.664 nan 8.180 nan 0.000 0.603 92 G N -0.009 108.842 108.800 0.085 0.000 2.425 92 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.213 92 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.213 92 G C 1.592 176.494 174.900 0.003 0.000 1.201 92 G CA 1.212 46.315 45.100 0.006 0.000 0.799 92 G HN 0.110 nan 8.290 nan 0.000 0.534 93 S N 1.377 117.068 115.700 -0.016 0.000 2.372 93 S HA -0.229 4.240 4.470 -0.000 0.000 0.227 93 S C 2.707 177.319 174.600 0.021 0.000 1.044 93 S CA 2.089 60.303 58.200 0.024 0.000 1.050 93 S CB -0.515 62.716 63.200 0.052 0.000 0.901 93 S HN 0.641 nan 8.310 nan 0.000 0.447 94 S N 0.604 116.305 115.700 0.001 0.000 2.447 94 S HA 0.204 4.674 4.470 -0.000 0.000 0.233 94 S C 1.645 176.269 174.600 0.041 0.000 1.006 94 S CA 0.955 59.161 58.200 0.010 0.000 0.957 94 S CB -0.584 62.602 63.200 -0.023 0.000 0.773 94 S HN 1.016 nan 8.310 nan 0.000 0.507 95 G N 0.722 109.556 108.800 0.057 0.000 2.143 95 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.249 95 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.249 95 G C 0.486 175.448 174.900 0.102 0.000 0.981 95 G CA 0.543 45.684 45.100 0.068 0.000 0.665 95 G HN 0.503 nan 8.290 nan 0.000 0.528 96 E N -0.494 119.802 120.200 0.159 0.000 2.106 96 E HA 0.224 4.574 4.350 -0.000 0.000 0.192 96 E C 1.360 178.099 176.600 0.232 0.000 0.984 96 E CA 0.965 57.513 56.400 0.247 0.000 0.806 96 E CB 0.000 29.953 29.700 0.422 0.000 0.750 96 E HN 0.641 nan 8.360 nan 0.000 0.458 97 L N -0.276 121.082 121.223 0.224 0.000 2.354 97 L HA 0.396 4.736 4.340 -0.000 0.000 0.264 97 L C -0.102 176.810 176.870 0.070 0.000 1.008 97 L CA -0.993 53.916 54.840 0.115 0.000 0.819 97 L CB 2.017 44.122 42.059 0.077 0.000 1.339 97 L HN -0.051 nan 8.230 nan 0.000 0.420 98 S N -0.027 115.690 115.700 0.029 0.000 2.646 98 S HA 0.250 4.720 4.470 -0.000 0.000 0.276 98 S C 0.740 175.341 174.600 0.002 0.000 1.222 98 S CA -0.642 57.568 58.200 0.017 0.000 1.014 98 S CB 1.830 65.037 63.200 0.012 0.000 0.991 98 S HN 0.721 nan 8.310 nan 0.000 0.533 99 K N 0.447 120.847 120.400 0.000 0.000 2.113 99 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 99 K C 1.479 178.074 176.600 -0.008 0.000 1.047 99 K CA 1.955 58.237 56.287 -0.008 0.000 0.928 99 K CB -0.219 32.280 32.500 -0.002 0.000 0.716 99 K HN 0.697 nan 8.250 nan 0.000 0.446 100 E N 0.400 120.598 120.200 -0.003 0.000 2.072 100 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 100 E C 2.010 178.604 176.600 -0.011 0.000 0.982 100 E CA 1.105 57.503 56.400 -0.002 0.000 0.803 100 E CB 0.049 29.750 29.700 0.002 0.000 0.755 100 E HN 0.349 nan 8.360 nan 0.000 0.453 101 Q N -0.102 119.685 119.800 -0.020 0.000 2.119 101 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 101 Q C 2.111 178.077 176.000 -0.056 0.000 0.972 101 Q CA 0.927 56.704 55.803 -0.042 0.000 0.847 101 Q CB -0.073 28.634 28.738 -0.051 0.000 0.903 101 Q HN 0.324 nan 8.270 nan 0.000 0.433 102 I N 0.378 120.921 120.570 -0.045 0.000 2.614 102 I HA -0.211 3.959 4.170 -0.000 0.000 0.258 102 I C 1.763 177.859 176.117 -0.035 0.000 1.189 102 I CA 0.903 62.172 61.300 -0.052 0.000 1.462 102 I CB -0.113 37.862 38.000 -0.041 0.000 1.092 102 I HN 0.195 nan 8.210 nan 0.000 0.442 103 T N 0.906 115.449 114.554 -0.018 0.000 2.942 103 T HA 0.036 4.386 4.350 -0.000 0.000 0.265 103 T C 1.944 176.653 174.700 0.015 0.000 1.062 103 T CA 0.777 62.877 62.100 -0.000 0.000 1.139 103 T CB -0.033 68.839 68.868 0.007 0.000 0.883 103 T HN 0.236 nan 8.240 nan 0.000 0.468 104 L N 0.437 121.664 121.223 0.007 0.000 2.056 104 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 104 L C 2.711 179.610 176.870 0.048 0.000 1.078 104 L CA 0.936 55.793 54.840 0.029 0.000 0.749 104 L CB -0.595 41.460 42.059 -0.007 0.000 0.901 104 L HN 0.249 nan 8.230 nan 0.000 0.433 105 M N -0.103 119.493 119.600 -0.007 0.000 2.108 105 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 105 M C 2.600 178.937 176.300 0.060 0.000 1.066 105 M CA 1.966 57.272 55.300 0.010 0.000 1.107 105 M CB -1.417 31.132 32.600 -0.084 0.000 1.356 105 M HN 0.282 nan 8.290 nan 0.000 0.406 106 A N 0.393 123.225 122.820 0.020 0.000 1.908 106 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 106 A C 2.312 179.918 177.584 0.036 0.000 1.181 106 A CA 1.806 53.850 52.037 0.012 0.000 0.627 106 A CB -0.531 18.471 19.000 0.002 0.000 0.818 106 A HN 0.509 nan 8.150 nan 0.000 0.445 107 K N -1.892 118.554 120.400 0.076 0.000 2.031 107 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 107 K C 2.020 178.744 176.600 0.205 0.000 1.049 107 K CA 1.500 57.853 56.287 0.111 0.000 0.939 107 K CB -0.408 32.185 32.500 0.155 0.000 0.717 107 K HN 0.581 nan 8.250 nan 0.000 0.438 108 Y N 2.709 123.073 120.300 0.107 0.000 2.128 108 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 108 Y C 1.867 177.790 175.900 0.039 0.000 1.154 108 Y CA 1.672 59.839 58.100 0.112 0.000 1.149 108 Y CB -0.299 38.114 38.460 -0.078 0.000 0.976 108 Y HN 0.065 nan 8.280 nan 0.000 0.505 109 I N -1.378 119.127 120.570 -0.108 0.000 2.916 109 I HA -0.159 4.011 4.170 -0.000 0.000 0.267 109 I C 1.516 177.513 176.117 -0.200 0.000 1.263 109 I CA 1.197 62.344 61.300 -0.255 0.000 1.471 109 I CB -0.559 37.360 38.000 -0.136 0.000 1.089 109 I HN 0.324 nan 8.210 nan 0.000 0.468 110 Q N 0.023 119.737 119.800 -0.143 0.000 2.398 110 Q HA 0.117 4.457 4.340 -0.000 0.000 0.204 110 Q C 0.050 175.921 176.000 -0.215 0.000 0.932 110 Q CA 0.238 55.941 55.803 -0.166 0.000 0.916 110 Q CB 0.102 28.738 28.738 -0.170 0.000 1.024 110 Q HN 0.642 nan 8.270 nan 0.000 0.504 111 H N 0.039 119.021 119.070 -0.146 0.000 2.505 111 H HA 0.138 4.693 4.556 -0.000 0.000 0.355 111 H C -0.084 175.149 175.328 -0.159 0.000 1.179 111 H CA -0.159 55.818 56.048 -0.119 0.000 1.343 111 H CB 0.958 30.694 29.762 -0.042 0.000 1.501 111 H HN -0.118 nan 8.280 nan 0.000 0.569 112 T N 4.148 118.731 114.554 0.048 0.000 2.934 112 T HA 0.037 4.387 4.350 -0.000 0.000 0.306 112 T C -2.189 172.490 174.700 -0.035 0.000 1.042 112 T CA -0.829 61.261 62.100 -0.016 0.000 1.145 112 T CB 0.168 69.035 68.868 -0.003 0.000 0.982 112 T HN 0.387 nan 8.240 nan 0.000 0.544 113 P HA 0.210 nan 4.420 nan 0.000 0.271 113 P C -1.949 175.366 177.300 0.026 0.000 1.226 113 P CA -1.032 62.013 63.100 -0.093 0.000 0.765 113 P CB 0.002 31.643 31.700 -0.099 0.000 0.835 114 P HA 0.173 nan 4.420 nan 0.000 0.279 114 P C -0.652 176.741 177.300 0.155 0.000 1.276 114 P CA -0.469 62.749 63.100 0.198 0.000 0.801 114 P CB 0.742 32.659 31.700 0.363 0.000 1.127 115 Q N 1.098 120.961 119.800 0.105 0.000 2.304 115 Q HA 0.242 4.582 4.340 -0.000 0.000 0.260 115 Q C -1.805 174.175 176.000 -0.034 0.000 0.965 115 Q CA -1.440 54.372 55.803 0.014 0.000 0.898 115 Q CB 0.055 28.812 28.738 0.031 0.000 1.196 115 Q HN 0.363 nan 8.270 nan 0.000 0.402 116 P HA 0.129 nan 4.420 nan 0.000 0.269 116 P C -2.455 174.771 177.300 -0.124 0.000 1.209 116 P CA -0.997 61.775 63.100 -0.547 0.000 0.776 116 P CB 0.006 31.157 31.700 -0.915 0.000 0.876 117 P HA 0.177 nan 4.420 nan 0.000 0.276 117 P C -0.051 177.424 177.300 0.292 0.000 1.244 117 P CA -0.082 63.065 63.100 0.078 0.000 0.801 117 P CB 0.978 32.685 31.700 0.013 0.000 1.006 118 E N 0.427 120.742 120.200 0.192 0.000 2.342 118 E HA 0.159 4.509 4.350 -0.000 0.000 0.257 118 E C -0.677 176.039 176.600 0.193 0.000 1.150 118 E CA 0.098 56.560 56.400 0.105 0.000 0.926 118 E CB 0.772 30.487 29.700 0.026 0.000 1.074 118 E HN 0.604 nan 8.360 nan 0.000 0.449 119 W N 1.168 122.396 121.300 -0.119 0.000 2.451 119 W HA 0.381 5.041 4.660 -0.000 0.000 0.285 119 W C -0.650 175.810 176.519 -0.098 0.000 1.024 119 W CA -0.368 56.926 57.345 -0.084 0.000 1.421 119 W CB 0.925 30.336 29.460 -0.081 0.000 1.319 119 W HN 0.558 nan 8.180 nan 0.000 0.366 120 G N 1.883 110.534 108.800 -0.247 0.000 2.583 120 G HA2 0.260 4.220 3.960 -0.000 0.000 0.280 120 G HA3 0.260 4.220 3.960 -0.000 0.000 0.280 120 G C 0.455 175.191 174.900 -0.273 0.000 1.376 120 G CA -0.455 44.521 45.100 -0.207 0.000 1.043 120 G HN 0.354 nan 8.290 nan 0.000 0.538 121 M N 0.332 119.820 119.600 -0.186 0.000 2.106 121 M HA -0.007 4.473 4.480 -0.000 0.000 0.259 121 M C -0.334 175.856 176.300 -0.183 0.000 1.068 121 M CA 1.844 57.046 55.300 -0.163 0.000 1.100 121 M CB -1.081 31.448 32.600 -0.119 0.000 1.351 121 M HN 0.280 nan 8.290 nan 0.000 0.404 122 P HA -0.143 nan 4.420 nan 0.000 0.215 122 P C 1.003 178.142 177.300 -0.268 0.000 1.157 122 P CA 1.528 64.518 63.100 -0.182 0.000 0.868 122 P CB -0.045 31.554 31.700 -0.169 0.000 0.788 123 E N -1.440 118.463 120.200 -0.495 0.000 2.110 123 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 123 E C 2.033 178.273 176.600 -0.600 0.000 0.988 123 E CA 1.205 57.099 56.400 -0.844 0.000 0.804 123 E CB -0.582 28.025 29.700 -1.820 0.000 0.745 123 E HN 0.226 nan 8.360 nan 0.000 0.458 124 M N -0.223 119.133 119.600 -0.406 0.000 2.132 124 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 124 M C 2.104 178.439 176.300 0.058 0.000 1.065 124 M CA 1.354 56.637 55.300 -0.029 0.000 1.122 124 M CB -0.095 32.495 32.600 -0.016 0.000 1.365 124 M HN 0.001 nan 8.290 nan 0.000 0.411 125 R N 0.000 120.507 120.500 0.012 0.000 2.115 125 R HA -0.171 4.169 4.340 -0.000 0.000 0.230 125 R C 2.017 178.415 176.300 0.162 0.000 1.111 125 R CA 1.488 57.678 56.100 0.149 0.000 0.976 125 R CB -0.390 29.970 30.300 0.099 0.000 0.870 125 R HN 0.372 nan 8.270 nan 0.000 0.445 126 E N 1.390 121.618 120.200 0.045 0.000 2.058 126 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 126 E C 1.716 178.380 176.600 0.106 0.000 0.997 126 E CA 2.168 58.591 56.400 0.038 0.000 0.801 126 E CB -0.109 29.565 29.700 -0.043 0.000 0.746 126 E HN 0.249 nan 8.360 nan 0.000 0.450 127 S N -1.137 114.665 115.700 0.169 0.000 2.562 127 S HA -0.039 4.430 4.470 -0.000 0.000 0.221 127 S C 0.319 175.069 174.600 0.250 0.000 0.975 127 S CA -0.130 58.204 58.200 0.223 0.000 0.918 127 S CB -0.499 62.899 63.200 0.329 0.000 0.772 127 S HN 0.440 nan 8.310 nan 0.000 0.531 128 W N 3.492 124.817 121.300 0.042 0.000 2.419 128 W HA 0.512 5.171 4.660 -0.000 0.000 0.312 128 W C -0.592 175.934 176.519 0.011 0.000 1.323 128 W CA -1.282 56.077 57.345 0.023 0.000 1.293 128 W CB 0.056 29.522 29.460 0.010 0.000 1.324 128 W HN -0.002 nan 8.180 nan 0.000 0.512 129 K N 5.155 125.431 120.400 -0.207 0.000 2.507 129 K HA 0.407 4.727 4.320 -0.000 0.000 0.252 129 K C -1.379 174.995 176.600 -0.377 0.000 0.943 129 K CA -0.980 55.099 56.287 -0.346 0.000 0.808 129 K CB 2.248 34.671 32.500 -0.128 0.000 1.142 129 K HN 0.081 nan 8.250 nan 0.000 0.426 130 V N 5.625 125.242 119.914 -0.494 0.000 2.334 130 V HA 0.127 4.247 4.120 -0.000 0.000 0.267 130 V C 1.216 177.208 176.094 -0.171 0.000 1.040 130 V CA -0.358 61.764 62.300 -0.297 0.000 0.866 130 V CB 0.602 32.226 31.823 -0.332 0.000 1.019 130 V HN 0.779 nan 8.190 nan 0.000 0.468 131 L N 4.433 125.600 121.223 -0.094 0.000 2.217 131 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 131 L C 0.273 177.121 176.870 -0.038 0.000 1.107 131 L CA 0.982 55.788 54.840 -0.058 0.000 0.783 131 L CB 0.079 42.121 42.059 -0.029 0.000 0.919 131 L HN 0.452 nan 8.230 nan 0.000 0.442 132 V N 0.260 120.157 119.914 -0.028 0.000 2.577 132 V HA 0.187 4.307 4.120 -0.000 0.000 0.294 132 V C -0.229 175.864 176.094 -0.003 0.000 1.052 132 V CA -1.126 61.171 62.300 -0.005 0.000 0.891 132 V CB 1.758 33.596 31.823 0.025 0.000 1.017 132 V HN 0.085 nan 8.190 nan 0.000 0.436 133 K N 4.871 125.266 120.400 -0.009 0.000 2.485 133 K HA 0.123 4.443 4.320 -0.000 0.000 0.277 133 K C -1.609 175.007 176.600 0.027 0.000 0.990 133 K CA -1.066 55.221 56.287 -0.000 0.000 0.994 133 K CB 0.950 33.448 32.500 -0.004 0.000 0.906 133 K HN 0.321 nan 8.250 nan 0.000 0.488 134 P HA -0.243 nan 4.420 nan 0.000 0.217 134 P C 0.782 178.117 177.300 0.059 0.000 1.148 134 P CA 1.266 64.398 63.100 0.054 0.000 0.828 134 P CB 0.144 31.871 31.700 0.045 0.000 0.783 135 E N -0.674 119.552 120.200 0.044 0.000 2.274 135 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 135 E C 0.478 177.104 176.600 0.044 0.000 0.996 135 E CA 1.124 57.549 56.400 0.042 0.000 0.840 135 E CB -0.769 28.950 29.700 0.031 0.000 0.772 135 E HN 0.267 nan 8.360 nan 0.000 0.491 136 D N 0.773 121.198 120.400 0.042 0.000 2.339 136 D HA 0.106 4.746 4.640 -0.000 0.000 0.217 136 D C 0.180 176.515 176.300 0.058 0.000 1.050 136 D CA 0.069 54.093 54.000 0.041 0.000 0.856 136 D CB 0.192 41.008 40.800 0.027 0.000 0.922 136 D HN 0.091 nan 8.370 nan 0.000 0.518 137 R N 1.462 122.008 120.500 0.078 0.000 2.500 137 R HA 0.345 4.685 4.340 -0.000 0.000 0.275 137 R C -2.197 174.178 176.300 0.124 0.000 1.051 137 R CA -1.548 54.617 56.100 0.108 0.000 1.088 137 R CB 0.221 30.603 30.300 0.136 0.000 1.063 137 R HN -0.039 nan 8.270 nan 0.000 0.511 138 P HA -0.022 nan 4.420 nan 0.000 0.264 138 P C -0.485 176.945 177.300 0.217 0.000 1.193 138 P CA -0.028 63.163 63.100 0.151 0.000 0.763 138 P CB 0.670 32.463 31.700 0.156 0.000 0.810 139 K N 2.216 122.702 120.400 0.144 0.000 2.504 139 K HA -0.037 4.283 4.320 -0.000 0.000 0.195 139 K C 1.048 177.743 176.600 0.158 0.000 1.036 139 K CA 1.045 57.429 56.287 0.162 0.000 0.984 139 K CB -0.189 32.362 32.500 0.086 0.000 0.788 139 K HN 0.645 nan 8.250 nan 0.000 0.488 140 K N -1.080 119.325 120.400 0.008 0.000 2.507 140 K HA 0.229 4.549 4.320 -0.000 0.000 0.284 140 K C -0.680 175.544 176.600 -0.626 0.000 1.038 140 K CA -0.931 55.099 56.287 -0.430 0.000 0.903 140 K CB 0.828 33.132 32.500 -0.326 0.000 1.531 140 K HN -0.353 nan 8.250 nan 0.000 0.430 141 Q N 1.892 120.997 119.800 -1.158 0.000 2.325 141 Q HA 0.099 4.439 4.340 -0.000 0.000 0.256 141 Q C -0.095 175.681 176.000 -0.374 0.000 1.142 141 Q CA 0.172 55.390 55.803 -0.975 0.000 0.902 141 Q CB 0.174 28.254 28.738 -1.097 0.000 1.350 141 Q HN 0.577 nan 8.270 nan 0.000 0.449 142 L N 3.839 124.957 121.223 -0.176 0.000 2.715 142 L HA 0.049 4.388 4.340 -0.000 0.000 0.238 142 L C -0.091 176.750 176.870 -0.047 0.000 1.212 142 L CA -0.102 54.690 54.840 -0.081 0.000 1.017 142 L CB -0.789 41.259 42.059 -0.018 0.000 1.269 142 L HN 0.482 nan 8.230 nan 0.000 0.452 143 N N -3.708 114.954 118.700 -0.063 0.000 2.853 143 N HA 0.221 4.961 4.740 -0.000 0.000 0.258 143 N C -0.452 175.035 175.510 -0.040 0.000 1.444 143 N CA -0.804 52.229 53.050 -0.028 0.000 0.837 143 N CB 0.669 39.161 38.487 0.008 0.000 1.489 143 N HN -0.240 nan 8.380 nan 0.000 0.529 144 D N -0.337 120.052 120.400 -0.017 0.000 2.349 144 D HA 0.192 4.832 4.640 -0.000 0.000 0.214 144 D C 0.039 176.339 176.300 -0.000 0.000 1.063 144 D CA 0.012 54.002 54.000 -0.016 0.000 0.847 144 D CB -0.050 40.746 40.800 -0.007 0.000 0.933 144 D HN 0.396 nan 8.370 nan 0.000 0.513 145 L N 1.203 122.434 121.223 0.013 0.000 2.514 145 L HA -0.017 4.323 4.340 -0.000 0.000 0.280 145 L C 0.832 177.722 176.870 0.033 0.000 1.223 145 L CA 0.174 55.034 54.840 0.033 0.000 0.864 145 L CB 0.296 42.385 42.059 0.050 0.000 1.118 145 L HN -0.148 nan 8.230 nan 0.000 0.494 146 D N 3.225 123.650 120.400 0.043 0.000 2.631 146 D HA 0.146 4.786 4.640 -0.000 0.000 0.227 146 D C 1.260 177.592 176.300 0.053 0.000 1.146 146 D CA -0.101 53.924 54.000 0.042 0.000 1.009 146 D CB 0.246 41.072 40.800 0.043 0.000 1.057 146 D HN 0.419 nan 8.370 nan 0.000 0.509 147 L N 1.889 123.151 121.223 0.066 0.000 2.034 147 L HA -0.185 4.155 4.340 -0.000 0.000 0.217 147 L C -0.475 176.435 176.870 0.067 0.000 1.077 147 L CA 1.455 56.343 54.840 0.079 0.000 0.769 147 L CB -1.609 40.525 42.059 0.124 0.000 0.890 147 L HN 0.313 nan 8.230 nan 0.000 0.435 148 P HA -0.129 nan 4.420 nan 0.000 0.220 148 P C 0.843 178.161 177.300 0.030 0.000 1.148 148 P CA 1.259 64.433 63.100 0.123 0.000 0.803 148 P CB -0.014 31.780 31.700 0.157 0.000 0.782 149 N N -1.212 117.482 118.700 -0.010 0.000 2.279 149 N HA 0.086 4.826 4.740 -0.000 0.000 0.226 149 N C -0.270 175.191 175.510 -0.083 0.000 1.126 149 N CA -0.216 52.795 53.050 -0.065 0.000 0.846 149 N CB -0.502 37.995 38.487 0.017 0.000 1.050 149 N HN -0.052 nan 8.380 nan 0.000 0.502 150 L N 0.439 121.608 121.223 -0.090 0.000 2.418 150 L HA 0.447 4.787 4.340 -0.000 0.000 0.265 150 L C -0.820 175.927 176.870 -0.205 0.000 1.143 150 L CA 0.008 54.832 54.840 -0.027 0.000 0.809 150 L CB 0.368 42.438 42.059 0.018 0.000 1.124 150 L HN -0.037 nan 8.230 nan 0.000 0.456 151 F N 1.628 121.507 119.950 -0.119 0.000 2.507 151 F HA 0.354 4.881 4.527 -0.000 0.000 0.325 151 F C 0.304 176.089 175.800 -0.025 0.000 1.116 151 F CA -0.449 57.465 58.000 -0.143 0.000 0.930 151 F CB 1.954 40.757 39.000 -0.328 0.000 1.146 151 F HN 0.325 nan 8.300 nan 0.000 0.447 152 S N 3.662 119.471 115.700 0.182 0.000 2.543 152 S HA 0.512 4.981 4.470 -0.000 0.000 0.299 152 S C -0.835 173.903 174.600 0.230 0.000 1.125 152 S CA -0.516 57.789 58.200 0.176 0.000 1.098 152 S CB -0.242 63.040 63.200 0.137 0.000 1.063 152 S HN 0.351 nan 8.310 nan 0.000 0.493 153 V N 5.570 125.586 119.914 0.171 0.000 2.406 153 V HA 0.288 4.407 4.120 -0.000 0.000 0.272 153 V C 0.693 176.848 176.094 0.102 0.000 1.043 153 V CA -0.616 61.759 62.300 0.126 0.000 0.915 153 V CB 1.165 33.046 31.823 0.097 0.000 0.988 153 V HN 0.772 nan 8.190 nan 0.000 0.466 154 T N 7.129 121.742 114.554 0.098 0.000 2.834 154 T HA 0.368 4.718 4.350 -0.000 0.000 0.298 154 T C 0.131 174.851 174.700 0.033 0.000 0.966 154 T CA -0.041 62.107 62.100 0.081 0.000 1.141 154 T CB 0.118 69.051 68.868 0.109 0.000 0.905 154 T HN 0.409 nan 8.240 nan 0.000 0.535 155 L N 4.421 125.673 121.223 0.048 0.000 2.353 155 L HA 0.373 4.713 4.340 -0.000 0.000 0.269 155 L C 1.971 178.883 176.870 0.072 0.000 1.085 155 L CA -0.666 54.202 54.840 0.048 0.000 0.938 155 L CB 0.195 42.287 42.059 0.055 0.000 1.312 155 L HN 0.678 nan 8.230 nan 0.000 0.429 156 R N 1.299 121.837 120.500 0.064 0.000 2.168 156 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 156 R C 0.980 177.372 176.300 0.153 0.000 1.123 156 R CA 2.565 58.732 56.100 0.111 0.000 0.928 156 R CB 0.164 30.539 30.300 0.125 0.000 0.873 156 R HN 0.622 nan 8.270 nan 0.000 0.434 157 D N -0.768 119.729 120.400 0.162 0.000 2.249 157 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 157 D C 1.540 177.947 176.300 0.178 0.000 0.962 157 D CA 1.045 55.138 54.000 0.156 0.000 0.860 157 D CB -0.064 40.818 40.800 0.136 0.000 0.955 157 D HN 0.404 nan 8.370 nan 0.000 0.505 158 A N 0.548 123.455 122.820 0.146 0.000 2.172 158 A HA 0.249 4.568 4.320 -0.000 0.000 0.216 158 A C 1.683 179.336 177.584 0.115 0.000 1.154 158 A CA 1.188 53.302 52.037 0.128 0.000 0.701 158 A CB -0.565 18.484 19.000 0.082 0.000 0.789 158 A HN 0.253 nan 8.150 nan 0.000 0.465 159 G N -0.465 108.416 108.800 0.135 0.000 2.298 159 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.287 159 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.287 159 G C -0.167 174.709 174.900 -0.040 0.000 1.075 159 G CA 0.631 45.754 45.100 0.038 0.000 0.960 159 G HN 1.457 nan 8.290 nan 0.000 0.502 160 Q N -1.790 118.018 119.800 0.012 0.000 2.841 160 Q HA 0.713 5.053 4.340 -0.000 0.000 0.309 160 Q C -0.729 175.290 176.000 0.030 0.000 0.868 160 Q CA -1.026 54.779 55.803 0.004 0.000 0.760 160 Q CB 1.114 29.850 28.738 -0.004 0.000 1.454 160 Q HN 1.142 nan 8.270 nan 0.000 0.449 161 I N -2.144 118.444 120.570 0.030 0.000 2.740 161 I HA 0.935 5.104 4.170 -0.000 0.000 0.303 161 I C -1.081 175.067 176.117 0.052 0.000 1.044 161 I CA -0.879 60.450 61.300 0.048 0.000 1.064 161 I CB 2.274 40.302 38.000 0.045 0.000 1.249 161 I HN 0.765 nan 8.210 nan 0.000 0.433 162 A N 6.038 128.899 122.820 0.068 0.000 2.318 162 A HA 0.786 5.106 4.320 -0.000 0.000 0.317 162 A C -0.734 176.906 177.584 0.093 0.000 1.159 162 A CA -0.633 51.448 52.037 0.073 0.000 0.799 162 A CB 0.762 19.806 19.000 0.074 0.000 1.194 162 A HN 0.795 nan 8.150 nan 0.000 0.479 163 L N 3.315 124.591 121.223 0.087 0.000 2.260 163 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 163 L C -0.755 176.187 176.870 0.119 0.000 1.057 163 L CA -0.578 54.323 54.840 0.100 0.000 0.811 163 L CB 1.129 43.236 42.059 0.081 0.000 1.184 163 L HN 0.420 nan 8.230 nan 0.000 0.429 164 V N 2.580 122.590 119.914 0.160 0.000 2.417 164 V HA 0.179 4.298 4.120 -0.000 0.000 0.291 164 V C 0.120 176.347 176.094 0.221 0.000 1.024 164 V CA -0.782 61.632 62.300 0.190 0.000 0.861 164 V CB 1.978 33.936 31.823 0.225 0.000 0.985 164 V HN 0.648 nan 8.190 nan 0.000 0.436 165 D N 3.688 124.206 120.400 0.197 0.000 2.417 165 D HA 0.067 4.707 4.640 -0.000 0.000 0.250 165 D C 1.222 177.693 176.300 0.287 0.000 1.166 165 D CA 0.555 54.672 54.000 0.195 0.000 0.881 165 D CB 2.030 42.916 40.800 0.144 0.000 1.164 165 D HN 0.714 nan 8.370 nan 0.000 0.467 166 G N 3.427 112.400 108.800 0.290 0.000 2.598 166 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 166 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 166 G C 0.935 176.062 174.900 0.378 0.000 1.131 166 G CA 0.264 45.593 45.100 0.382 0.000 0.785 166 G HN 0.526 nan 8.290 nan 0.000 0.539 167 D N 0.034 120.579 120.400 0.241 0.000 2.856 167 D HA -0.038 4.602 4.640 -0.000 0.000 0.283 167 D C 2.782 179.160 176.300 0.131 0.000 1.051 167 D CA 1.115 55.218 54.000 0.171 0.000 0.965 167 D CB -0.230 40.639 40.800 0.115 0.000 1.201 167 D HN 0.376 nan 8.370 nan 0.000 0.474 168 S N 0.663 116.433 115.700 0.116 0.000 2.447 168 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 168 S C 0.911 175.559 174.600 0.080 0.000 1.006 168 S CA 0.813 59.062 58.200 0.081 0.000 0.957 168 S CB 0.050 63.291 63.200 0.070 0.000 0.773 168 S HN -0.003 nan 8.310 nan 0.000 0.507 169 K N 0.302 120.783 120.400 0.135 0.000 3.167 169 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 169 K C -0.923 175.724 176.600 0.078 0.000 1.137 169 K CA 0.894 57.249 56.287 0.113 0.000 0.800 169 K CB -1.795 30.694 32.500 -0.019 0.000 1.253 169 K HN 0.674 nan 8.250 nan 0.000 0.497 170 K N -0.199 120.264 120.400 0.105 0.000 2.469 170 K HA 0.457 4.777 4.320 -0.000 0.000 0.254 170 K C -0.151 176.506 176.600 0.096 0.000 0.939 170 K CA -0.980 55.354 56.287 0.078 0.000 0.812 170 K CB 1.782 34.314 32.500 0.053 0.000 1.301 170 K HN -0.020 nan 8.250 nan 0.000 0.433 171 I N 2.730 123.348 120.570 0.080 0.000 2.581 171 I HA -0.102 4.068 4.170 -0.000 0.000 0.285 171 I C 1.172 177.332 176.117 0.071 0.000 1.129 171 I CA 0.085 61.434 61.300 0.082 0.000 1.397 171 I CB 0.648 38.688 38.000 0.068 0.000 1.399 171 I HN 0.469 nan 8.210 nan 0.000 0.537 172 V N 5.619 125.580 119.914 0.079 0.000 2.825 172 V HA 0.035 4.155 4.120 -0.000 0.000 0.246 172 V C 0.460 176.588 176.094 0.058 0.000 1.068 172 V CA 1.157 63.497 62.300 0.068 0.000 1.088 172 V CB -0.180 31.688 31.823 0.076 0.000 0.733 172 V HN 0.754 nan 8.190 nan 0.000 0.468 173 K N -0.820 119.616 120.400 0.059 0.000 2.572 173 K HA 0.465 4.785 4.320 -0.000 0.000 0.263 173 K C -1.855 174.774 176.600 0.049 0.000 0.932 173 K CA -0.285 56.032 56.287 0.050 0.000 0.838 173 K CB 2.097 34.627 32.500 0.049 0.000 1.366 173 K HN -0.198 nan 8.250 nan 0.000 0.425 174 V N 5.369 125.307 119.914 0.040 0.000 2.409 174 V HA 0.562 4.682 4.120 -0.000 0.000 0.291 174 V C -0.316 175.794 176.094 0.026 0.000 1.020 174 V CA -0.635 61.686 62.300 0.035 0.000 0.848 174 V CB 1.165 33.007 31.823 0.032 0.000 0.990 174 V HN 0.637 nan 8.190 nan 0.000 0.430 175 I N 3.393 123.977 120.570 0.024 0.000 2.378 175 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 175 I C -0.555 175.562 176.117 0.000 0.000 0.992 175 I CA -0.628 60.680 61.300 0.014 0.000 1.154 175 I CB 1.879 39.890 38.000 0.019 0.000 1.315 175 I HN 0.490 nan 8.210 nan 0.000 0.448 176 D N 3.994 124.386 120.400 -0.014 0.000 2.339 176 D HA 0.156 4.796 4.640 -0.000 0.000 0.256 176 D C 1.055 177.329 176.300 -0.043 0.000 1.214 176 D CA 0.155 54.131 54.000 -0.040 0.000 0.877 176 D CB 1.297 42.065 40.800 -0.054 0.000 1.111 176 D HN 0.656 nan 8.370 nan 0.000 0.478 177 T N -0.225 114.298 114.554 -0.052 0.000 3.082 177 T HA 0.496 4.846 4.350 -0.000 0.000 0.235 177 T C 0.986 175.648 174.700 -0.063 0.000 0.991 177 T CA 0.285 62.361 62.100 -0.040 0.000 1.220 177 T CB 0.219 69.075 68.868 -0.020 0.000 0.909 177 T HN 0.433 nan 8.240 nan 0.000 0.424 178 G N -1.153 107.588 108.800 -0.099 0.000 2.325 178 G HA2 0.397 4.357 3.960 -0.000 0.000 0.295 178 G HA3 0.397 4.357 3.960 -0.000 0.000 0.295 178 G C -0.664 174.138 174.900 -0.163 0.000 1.274 178 G CA -0.466 44.553 45.100 -0.135 0.000 0.857 178 G HN 0.150 nan 8.290 nan 0.000 0.499 179 Y N 0.188 120.510 120.300 0.036 0.000 2.397 179 Y HA 0.368 4.918 4.550 -0.000 0.000 0.292 179 Y C 2.527 178.450 175.900 0.040 0.000 1.115 179 Y CA 0.903 59.021 58.100 0.030 0.000 1.208 179 Y CB 0.606 39.086 38.460 0.033 0.000 1.046 179 Y HN 0.513 nan 8.280 nan 0.000 0.552 180 A N 0.809 123.748 122.820 0.198 0.000 3.181 180 A HA 0.363 4.683 4.320 -0.000 0.000 0.293 180 A C -0.224 177.423 177.584 0.106 0.000 1.346 180 A CA -0.327 51.786 52.037 0.127 0.000 1.018 180 A CB -1.128 17.920 19.000 0.080 0.000 1.093 180 A HN 0.038 nan 8.150 nan 0.000 0.629 181 V N 1.005 120.986 119.914 0.111 0.000 2.475 181 V HA -0.077 4.042 4.120 -0.000 0.000 0.292 181 V C 1.398 177.590 176.094 0.162 0.000 1.003 181 V CA 0.927 63.286 62.300 0.099 0.000 1.120 181 V CB -0.547 31.323 31.823 0.080 0.000 0.937 181 V HN 0.870 nan 8.190 nan 0.000 0.476 182 H N 5.576 124.655 119.070 0.015 0.000 2.348 182 H HA 0.377 4.932 4.556 -0.000 0.000 0.313 182 H C 0.689 176.046 175.328 0.049 0.000 1.051 182 H CA 0.715 56.780 56.048 0.027 0.000 1.420 182 H CB 0.849 30.608 29.762 -0.006 0.000 1.484 182 H HN 0.682 nan 8.280 nan 0.000 0.609 183 I N -1.360 119.088 120.570 -0.204 0.000 3.279 183 I HA 0.513 4.683 4.170 -0.000 0.000 0.315 183 I C -1.192 174.654 176.117 -0.451 0.000 1.187 183 I CA -1.066 60.030 61.300 -0.340 0.000 0.953 183 I CB 2.637 40.333 38.000 -0.507 0.000 1.279 183 I HN -0.068 nan 8.210 nan 0.000 0.465 184 S N 1.194 116.312 115.700 -0.971 0.000 2.542 184 S HA 0.756 5.226 4.470 -0.000 0.000 0.293 184 S C -0.753 173.349 174.600 -0.830 0.000 1.089 184 S CA -0.821 56.907 58.200 -0.786 0.000 0.961 184 S CB 1.793 64.616 63.200 -0.627 0.000 1.062 184 S HN 0.461 nan 8.310 nan 0.000 0.483 185 R N 1.045 121.293 120.500 -0.421 0.000 2.799 185 R HA 0.566 4.906 4.340 -0.000 0.000 0.270 185 R C -1.282 174.924 176.300 -0.158 0.000 1.010 185 R CA -0.809 55.128 56.100 -0.273 0.000 0.916 185 R CB 1.325 31.500 30.300 -0.208 0.000 1.228 185 R HN 0.496 nan 8.270 nan 0.000 0.469 186 M N 0.599 120.139 119.600 -0.100 0.000 2.528 186 M HA 0.343 4.823 4.480 -0.000 0.000 0.321 186 M C 0.359 176.628 176.300 -0.052 0.000 1.153 186 M CA -0.774 54.485 55.300 -0.068 0.000 0.951 186 M CB 1.869 34.428 32.600 -0.069 0.000 1.705 186 M HN 0.692 nan 8.290 nan 0.000 0.451 187 S N 0.919 116.603 115.700 -0.027 0.000 2.603 187 S HA 0.501 4.971 4.470 -0.000 0.000 0.268 187 S C 1.110 175.680 174.600 -0.051 0.000 1.317 187 S CA -0.112 58.083 58.200 -0.008 0.000 1.012 187 S CB 0.875 64.119 63.200 0.073 0.000 0.926 187 S HN 0.746 nan 8.310 nan 0.000 0.539 188 A N 1.660 124.456 122.820 -0.039 0.000 2.070 188 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 188 A C 2.292 179.824 177.584 -0.087 0.000 1.159 188 A CA 1.631 53.624 52.037 -0.073 0.000 0.656 188 A CB -1.316 17.674 19.000 -0.018 0.000 0.800 188 A HN 1.281 nan 8.150 nan 0.000 0.453 189 S N -2.291 113.367 115.700 -0.070 0.000 2.496 189 S HA 0.349 4.819 4.470 -0.000 0.000 0.224 189 S C 1.542 176.095 174.600 -0.079 0.000 0.996 189 S CA 1.137 59.294 58.200 -0.072 0.000 0.927 189 S CB -0.253 62.877 63.200 -0.118 0.000 0.774 189 S HN 1.873 nan 8.310 nan 0.000 0.524 190 G N 1.725 110.460 108.800 -0.109 0.000 2.176 190 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.253 190 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.253 190 G C 0.814 175.621 174.900 -0.155 0.000 0.979 190 G CA 0.412 45.464 45.100 -0.079 0.000 0.641 190 G HN 0.593 nan 8.290 nan 0.000 0.530 191 R N -0.940 119.325 120.500 -0.391 0.000 2.140 191 R HA 0.265 4.605 4.340 -0.000 0.000 0.213 191 R C 0.058 175.878 176.300 -0.800 0.000 1.059 191 R CA 0.481 56.062 56.100 -0.866 0.000 1.000 191 R CB 0.093 29.421 30.300 -1.619 0.000 0.910 191 R HN 0.352 nan 8.270 nan 0.000 0.455 192 Y N 0.912 121.068 120.300 -0.239 0.000 2.335 192 Y HA 0.315 4.865 4.550 -0.000 0.000 0.338 192 Y C -0.229 175.600 175.900 -0.118 0.000 0.977 192 Y CA -1.042 56.957 58.100 -0.167 0.000 1.114 192 Y CB 1.638 40.003 38.460 -0.158 0.000 1.182 192 Y HN -0.073 nan 8.280 nan 0.000 0.463 193 L N 5.932 127.203 121.223 0.079 0.000 2.257 193 L HA 0.472 4.812 4.340 -0.000 0.000 0.290 193 L C -1.220 175.646 176.870 -0.007 0.000 1.044 193 L CA -0.404 54.440 54.840 0.008 0.000 0.810 193 L CB 0.463 42.524 42.059 0.003 0.000 1.193 193 L HN 0.668 nan 8.230 nan 0.000 0.425 194 L N 6.294 127.482 121.223 -0.058 0.000 2.296 194 L HA 0.556 4.896 4.340 -0.000 0.000 0.286 194 L C -0.195 176.600 176.870 -0.126 0.000 1.023 194 L CA -0.758 54.032 54.840 -0.083 0.000 0.812 194 L CB 1.900 43.901 42.059 -0.098 0.000 1.223 194 L HN 0.438 nan 8.230 nan 0.000 0.421 195 V N 2.468 122.322 119.914 -0.099 0.000 2.656 195 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 195 V C -0.834 175.209 176.094 -0.085 0.000 1.051 195 V CA -0.566 61.668 62.300 -0.111 0.000 0.893 195 V CB 2.124 33.903 31.823 -0.073 0.000 0.999 195 V HN 0.706 nan 8.190 nan 0.000 0.426 196 I N 3.365 123.880 120.570 -0.092 0.000 2.646 196 I HA 0.897 5.067 4.170 -0.000 0.000 0.299 196 I C 0.534 176.647 176.117 -0.007 0.000 1.036 196 I CA -0.428 60.839 61.300 -0.056 0.000 1.074 196 I CB 2.033 39.989 38.000 -0.073 0.000 1.258 196 I HN 0.996 nan 8.210 nan 0.000 0.430 197 G N 4.303 113.104 108.800 0.002 0.000 2.471 197 G HA2 0.375 4.335 3.960 -0.000 0.000 0.332 197 G HA3 0.375 4.335 3.960 -0.000 0.000 0.332 197 G C 0.218 175.124 174.900 0.010 0.000 1.176 197 G CA -0.601 44.516 45.100 0.029 0.000 0.949 197 G HN 0.715 nan 8.290 nan 0.000 0.488 198 R N -0.317 120.185 120.500 0.003 0.000 2.328 198 R HA -0.034 4.306 4.340 -0.000 0.000 0.207 198 R C 0.807 177.064 176.300 -0.071 0.000 1.056 198 R CA 1.120 57.177 56.100 -0.071 0.000 1.016 198 R CB 0.245 30.481 30.300 -0.107 0.000 0.872 198 R HN 0.659 nan 8.270 nan 0.000 0.471 199 D N -0.640 119.734 120.400 -0.044 0.000 2.342 199 D HA 0.101 4.741 4.640 -0.000 0.000 0.221 199 D C 0.588 176.825 176.300 -0.106 0.000 1.101 199 D CA 0.340 54.303 54.000 -0.062 0.000 0.837 199 D CB 0.423 41.204 40.800 -0.032 0.000 0.938 199 D HN 0.025 nan 8.370 nan 0.000 0.508 200 A N 0.216 122.980 122.820 -0.094 0.000 2.887 200 A HA -0.285 4.034 4.320 -0.000 0.000 0.257 200 A C 0.595 178.129 177.584 -0.083 0.000 1.372 200 A CA 0.939 52.912 52.037 -0.107 0.000 0.879 200 A CB -2.445 16.455 19.000 -0.166 0.000 1.082 200 A HN 0.493 nan 8.150 nan 0.000 0.703 201 R N -0.208 120.261 120.500 -0.052 0.000 2.349 201 R HA 0.723 5.063 4.340 -0.000 0.000 0.299 201 R C -0.432 175.860 176.300 -0.013 0.000 1.027 201 R CA -0.485 55.605 56.100 -0.017 0.000 0.958 201 R CB 0.414 30.712 30.300 -0.003 0.000 1.047 201 R HN 0.496 nan 8.270 nan 0.000 0.468 202 I N 3.088 123.657 120.570 -0.001 0.000 2.569 202 I HA 0.314 4.484 4.170 -0.000 0.000 0.296 202 I C -0.795 175.323 176.117 0.002 0.000 1.028 202 I CA -0.848 60.444 61.300 -0.014 0.000 1.082 202 I CB 2.286 40.271 38.000 -0.025 0.000 1.264 202 I HN 0.499 nan 8.210 nan 0.000 0.429 203 D N 6.598 126.991 120.400 -0.012 0.000 2.649 203 D HA 0.385 5.025 4.640 -0.000 0.000 0.249 203 D C -0.905 175.387 176.300 -0.013 0.000 1.112 203 D CA -0.353 53.645 54.000 -0.002 0.000 0.850 203 D CB 2.862 43.660 40.800 -0.003 0.000 1.399 203 D HN 0.378 nan 8.370 nan 0.000 0.503 204 M N 2.888 122.484 119.600 -0.008 0.000 2.180 204 M HA 0.451 4.931 4.480 -0.000 0.000 0.350 204 M C -1.230 175.087 176.300 0.028 0.000 1.125 204 M CA -0.440 54.848 55.300 -0.020 0.000 1.031 204 M CB 0.885 33.435 32.600 -0.084 0.000 1.623 204 M HN 0.291 nan 8.290 nan 0.000 0.451 205 I N 3.670 124.283 120.570 0.072 0.000 2.406 205 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 205 I C -0.740 175.485 176.117 0.180 0.000 0.999 205 I CA -0.780 60.579 61.300 0.099 0.000 1.124 205 I CB 1.762 39.795 38.000 0.055 0.000 1.289 205 I HN 0.540 nan 8.210 nan 0.000 0.441 206 D N 6.768 127.271 120.400 0.172 0.000 2.380 206 D HA 0.235 4.875 4.640 -0.000 0.000 0.230 206 D C 0.692 177.013 176.300 0.034 0.000 1.154 206 D CA -0.098 53.961 54.000 0.099 0.000 0.859 206 D CB 1.141 42.040 40.800 0.165 0.000 1.045 206 D HN 0.442 nan 8.370 nan 0.000 0.495 207 L N 2.796 123.994 121.223 -0.042 0.000 2.610 207 L HA 0.042 4.382 4.340 -0.000 0.000 0.232 207 L C 1.043 178.078 176.870 0.276 0.000 1.149 207 L CA 0.013 54.904 54.840 0.083 0.000 0.872 207 L CB -0.012 42.084 42.059 0.062 0.000 0.992 207 L HN 0.472 nan 8.230 nan 0.000 0.447 208 W N 0.488 121.740 121.300 -0.081 0.000 3.077 208 W HA 0.310 4.970 4.660 -0.000 0.000 0.266 208 W C 1.431 177.934 176.519 -0.027 0.000 1.300 208 W CA -0.981 56.326 57.345 -0.063 0.000 1.586 208 W CB -0.547 28.857 29.460 -0.095 0.000 1.103 208 W HN -0.044 nan 8.180 nan 0.000 0.652 209 A N 0.920 123.859 122.820 0.198 0.000 2.346 209 A HA 0.122 4.442 4.320 -0.000 0.000 0.255 209 A C 1.769 179.401 177.584 0.081 0.000 1.113 209 A CA 0.095 52.205 52.037 0.122 0.000 0.798 209 A CB 0.561 19.621 19.000 0.099 0.000 1.073 209 A HN -0.033 nan 8.150 nan 0.000 0.502 210 K N -0.087 120.346 120.400 0.056 0.000 1.991 210 K HA -0.124 4.195 4.320 -0.000 0.000 0.212 210 K C 0.413 177.037 176.600 0.041 0.000 1.049 210 K CA 1.794 58.103 56.287 0.037 0.000 0.932 210 K CB -0.250 32.267 32.500 0.029 0.000 0.717 210 K HN 0.757 nan 8.250 nan 0.000 0.441 211 E N 0.699 120.926 120.200 0.045 0.000 2.145 211 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 211 E C -2.697 173.936 176.600 0.055 0.000 0.883 211 E CA -2.679 53.748 56.400 0.045 0.000 0.748 211 E CB 1.484 31.206 29.700 0.036 0.000 1.140 211 E HN -0.153 nan 8.360 nan 0.000 0.417 212 P HA -0.059 nan 4.420 nan 0.000 0.258 212 P C -1.120 176.215 177.300 0.058 0.000 1.172 212 P CA 0.567 63.709 63.100 0.069 0.000 0.762 212 P CB 0.450 32.190 31.700 0.067 0.000 0.764 213 T N 0.299 114.890 114.554 0.063 0.000 2.841 213 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 213 T C -0.542 174.191 174.700 0.056 0.000 1.166 213 T CA -1.358 60.773 62.100 0.052 0.000 1.007 213 T CB 1.272 70.167 68.868 0.044 0.000 1.253 213 T HN 0.027 nan 8.240 nan 0.000 0.511 214 K N 1.010 121.433 120.400 0.040 0.000 2.412 214 K HA 0.323 4.643 4.320 -0.000 0.000 0.281 214 K C 1.177 177.797 176.600 0.034 0.000 1.027 214 K CA -0.012 56.295 56.287 0.034 0.000 0.989 214 K CB 0.878 33.389 32.500 0.018 0.000 0.935 214 K HN 0.553 nan 8.250 nan 0.000 0.475 215 V N -0.602 119.333 119.914 0.035 0.000 3.570 215 V HA 0.452 4.572 4.120 -0.000 0.000 0.257 215 V C 0.238 176.332 176.094 0.000 0.000 1.272 215 V CA 0.397 62.712 62.300 0.024 0.000 1.079 215 V CB 0.316 32.167 31.823 0.047 0.000 0.829 215 V HN 0.660 nan 8.190 nan 0.000 0.454 216 A N 0.741 123.566 122.820 0.007 0.000 2.608 216 A HA 0.807 5.127 4.320 -0.000 0.000 0.292 216 A C -1.060 176.560 177.584 0.059 0.000 1.066 216 A CA -0.125 51.932 52.037 0.033 0.000 0.676 216 A CB 1.520 20.574 19.000 0.090 0.000 1.277 216 A HN 0.726 nan 8.150 nan 0.000 0.413 217 E N 0.191 120.455 120.200 0.106 0.000 2.433 217 E HA 0.863 5.213 4.350 -0.000 0.000 0.278 217 E C -1.286 175.443 176.600 0.214 0.000 0.976 217 E CA -0.760 55.709 56.400 0.114 0.000 0.793 217 E CB 2.154 31.893 29.700 0.066 0.000 1.311 217 E HN 1.057 nan 8.360 nan 0.000 0.460 218 I N -0.111 120.559 120.570 0.166 0.000 2.842 218 I HA 0.339 4.509 4.170 -0.000 0.000 0.296 218 I C -2.118 174.084 176.117 0.142 0.000 1.538 218 I CA -0.693 60.727 61.300 0.201 0.000 0.994 218 I CB 2.193 40.301 38.000 0.179 0.000 1.372 218 I HN 0.661 nan 8.210 nan 0.000 0.478 219 K N 5.958 126.481 120.400 0.206 0.000 2.323 219 K HA 0.535 4.855 4.320 -0.000 0.000 0.259 219 K C 0.077 176.838 176.600 0.268 0.000 0.947 219 K CA -0.560 55.820 56.287 0.156 0.000 0.819 219 K CB 1.365 33.963 32.500 0.163 0.000 1.109 219 K HN 0.623 nan 8.250 nan 0.000 0.429 220 I N -0.126 120.482 120.570 0.063 0.000 4.082 220 I HA 0.458 4.628 4.170 -0.000 0.000 0.337 220 I C 0.458 176.549 176.117 -0.044 0.000 1.352 220 I CA -0.350 61.023 61.300 0.120 0.000 1.097 220 I CB 1.046 39.073 38.000 0.044 0.000 1.048 220 I HN 0.636 nan 8.210 nan 0.000 0.393 221 G N 0.605 109.087 108.800 -0.530 0.000 2.348 221 G HA2 0.293 4.253 3.960 -0.000 0.000 0.296 221 G HA3 0.293 4.253 3.960 -0.000 0.000 0.296 221 G C -0.314 174.188 174.900 -0.664 0.000 1.258 221 G CA -0.296 44.459 45.100 -0.576 0.000 0.868 221 G HN -0.122 nan 8.290 nan 0.000 0.488 222 I N 0.063 120.477 120.570 -0.261 0.000 2.810 222 I HA 0.294 4.464 4.170 -0.000 0.000 0.262 222 I C 0.804 176.913 176.117 -0.014 0.000 1.131 222 I CA 1.153 62.393 61.300 -0.100 0.000 1.453 222 I CB -0.429 37.702 38.000 0.219 0.000 1.161 222 I HN 0.432 nan 8.210 nan 0.000 0.444 223 E N 0.303 120.541 120.200 0.063 0.000 2.272 223 E HA 0.737 5.087 4.350 -0.000 0.000 0.269 223 E C -1.132 175.452 176.600 -0.027 0.000 0.877 223 E CA -0.484 55.940 56.400 0.041 0.000 0.755 223 E CB 3.103 32.910 29.700 0.180 0.000 1.192 223 E HN 0.164 nan 8.360 nan 0.000 0.422 224 A N 1.900 124.621 122.820 -0.165 0.000 2.610 224 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 224 A C -0.462 176.959 177.584 -0.271 0.000 1.086 224 A CA -0.641 51.279 52.037 -0.195 0.000 0.677 224 A CB 1.492 20.436 19.000 -0.093 0.000 1.278 224 A HN 0.523 nan 8.150 nan 0.000 0.414 225 R N -0.335 120.042 120.500 -0.206 0.000 2.582 225 R HA 0.273 4.613 4.340 -0.000 0.000 0.285 225 R C -0.282 176.038 176.300 0.034 0.000 0.940 225 R CA 0.464 56.546 56.100 -0.030 0.000 1.072 225 R CB 0.716 30.953 30.300 -0.105 0.000 1.527 225 R HN 0.636 nan 8.270 nan 0.000 0.538 226 S N 0.397 116.079 115.700 -0.030 0.000 2.532 226 S HA 0.679 5.149 4.470 -0.000 0.000 0.301 226 S C -0.838 173.693 174.600 -0.115 0.000 1.083 226 S CA -0.688 57.472 58.200 -0.067 0.000 1.025 226 S CB 2.919 66.083 63.200 -0.060 0.000 1.056 226 S HN -0.019 nan 8.310 nan 0.000 0.494 227 V N 1.362 121.182 119.914 -0.157 0.000 3.023 227 V HA 0.809 4.929 4.120 -0.000 0.000 0.294 227 V C -2.035 173.931 176.094 -0.213 0.000 1.324 227 V CA -0.253 61.933 62.300 -0.191 0.000 0.979 227 V CB 2.266 33.992 31.823 -0.162 0.000 1.093 227 V HN 0.997 nan 8.190 nan 0.000 0.434 228 E N 2.880 122.922 120.200 -0.264 0.000 2.416 228 E HA 0.754 5.104 4.350 -0.000 0.000 0.280 228 E C -1.244 175.238 176.600 -0.197 0.000 1.055 228 E CA 0.115 56.389 56.400 -0.211 0.000 0.825 228 E CB 2.332 31.909 29.700 -0.206 0.000 1.312 228 E HN 1.210 nan 8.360 nan 0.000 0.452 229 S N 0.218 115.912 115.700 -0.010 0.000 2.664 229 S HA 0.694 5.163 4.470 -0.000 0.000 0.304 229 S C -0.542 174.255 174.600 0.328 0.000 1.099 229 S CA -0.409 57.851 58.200 0.100 0.000 1.003 229 S CB 1.197 64.416 63.200 0.032 0.000 1.092 229 S HN 0.780 nan 8.310 nan 0.000 0.525 230 S N 0.523 116.368 115.700 0.242 0.000 2.481 230 S HA 0.279 4.749 4.470 -0.000 0.000 0.282 230 S C 0.071 174.720 174.600 0.082 0.000 1.243 230 S CA -0.652 57.523 58.200 -0.041 0.000 1.078 230 S CB 0.001 62.995 63.200 -0.344 0.000 0.916 230 S HN 0.775 nan 8.310 nan 0.000 0.495 231 K N 1.451 121.911 120.400 0.099 0.000 2.414 231 K HA 0.219 4.538 4.320 -0.000 0.000 0.204 231 K C -0.456 176.237 176.600 0.156 0.000 1.026 231 K CA -0.290 56.049 56.287 0.087 0.000 1.108 231 K CB 0.272 32.769 32.500 -0.005 0.000 0.855 231 K HN 0.664 nan 8.250 nan 0.000 0.517 232 F N 2.801 122.804 119.950 0.089 0.000 2.399 232 F HA 0.163 4.690 4.527 -0.000 0.000 0.342 232 F C 0.541 176.475 175.800 0.224 0.000 1.106 232 F CA -0.841 57.230 58.000 0.118 0.000 1.196 232 F CB 0.642 39.669 39.000 0.044 0.000 1.163 232 F HN -0.240 nan 8.300 nan 0.000 0.547 233 K N 3.746 123.826 120.400 -0.534 0.000 2.550 233 K HA 0.263 4.583 4.320 -0.000 0.000 0.280 233 K C 1.022 177.557 176.600 -0.109 0.000 0.987 233 K CA 1.298 57.388 56.287 -0.328 0.000 1.048 233 K CB -0.101 32.126 32.500 -0.455 0.000 0.879 233 K HN 1.023 nan 8.250 nan 0.000 0.491 234 G N 3.415 112.178 108.800 -0.063 0.000 2.268 234 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 234 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 234 G C 0.081 174.836 174.900 -0.242 0.000 1.010 234 G CA 0.295 45.302 45.100 -0.155 0.000 0.618 234 G HN 0.666 nan 8.290 nan 0.000 0.516 235 Y N 2.292 122.653 120.300 0.101 0.000 2.756 235 Y HA 0.450 5.000 4.550 -0.000 0.000 0.300 235 Y C 0.861 176.761 175.900 0.001 0.000 1.113 235 Y CA -0.527 57.628 58.100 0.093 0.000 1.291 235 Y CB 0.192 38.820 38.460 0.281 0.000 1.175 235 Y HN 0.314 nan 8.280 nan 0.000 0.534 236 E N 1.161 121.398 120.200 0.062 0.000 2.415 236 E HA -0.055 4.295 4.350 -0.000 0.000 0.260 236 E C -0.271 176.321 176.600 -0.014 0.000 1.016 236 E CA 0.417 56.829 56.400 0.019 0.000 0.924 236 E CB 0.158 29.855 29.700 -0.006 0.000 0.961 236 E HN 0.349 nan 8.360 nan 0.000 0.459 237 D N 1.934 122.325 120.400 -0.014 0.000 3.076 237 D HA -0.209 4.431 4.640 -0.000 0.000 0.218 237 D C 0.840 177.062 176.300 -0.130 0.000 1.156 237 D CA 0.641 54.620 54.000 -0.035 0.000 0.921 237 D CB -0.410 40.402 40.800 0.020 0.000 1.113 237 D HN 0.428 nan 8.370 nan 0.000 0.418 238 R N -0.900 119.487 120.500 -0.189 0.000 2.062 238 R HA 0.057 4.397 4.340 -0.000 0.000 0.226 238 R C 0.481 176.308 176.300 -0.789 0.000 1.125 238 R CA 1.274 57.078 56.100 -0.493 0.000 0.966 238 R CB 0.013 30.043 30.300 -0.450 0.000 0.861 238 R HN 0.313 nan 8.270 nan 0.000 0.433 239 Y N -1.187 119.066 120.300 -0.079 0.000 2.524 239 Y HA 0.356 4.906 4.550 -0.000 0.000 0.347 239 Y C -0.287 175.600 175.900 -0.022 0.000 1.005 239 Y CA -0.924 57.129 58.100 -0.079 0.000 1.025 239 Y CB 2.091 40.459 38.460 -0.153 0.000 1.275 239 Y HN -0.280 nan 8.280 nan 0.000 0.460 240 T N 4.073 118.689 114.554 0.104 0.000 2.824 240 T HA 0.613 4.963 4.350 -0.000 0.000 0.282 240 T C -1.029 173.567 174.700 -0.174 0.000 0.993 240 T CA -0.482 61.584 62.100 -0.056 0.000 0.967 240 T CB 0.957 69.774 68.868 -0.086 0.000 0.960 240 T HN 0.561 nan 8.240 nan 0.000 0.441 241 I N 2.290 122.593 120.570 -0.444 0.000 2.693 241 I HA 0.833 5.003 4.170 -0.000 0.000 0.303 241 I C -1.173 174.728 176.117 -0.361 0.000 1.025 241 I CA -0.923 60.073 61.300 -0.507 0.000 1.086 241 I CB 1.415 38.762 38.000 -1.088 0.000 1.268 241 I HN 0.742 nan 8.210 nan 0.000 0.440 242 A N 4.434 127.129 122.820 -0.209 0.000 2.459 242 A HA 0.762 5.082 4.320 -0.000 0.000 0.296 242 A C -0.773 176.784 177.584 -0.045 0.000 1.039 242 A CA -0.382 51.574 52.037 -0.135 0.000 0.698 242 A CB 1.477 20.421 19.000 -0.093 0.000 1.261 242 A HN 0.842 nan 8.150 nan 0.000 0.405 243 G N 0.410 109.186 108.800 -0.041 0.000 2.415 243 G HA2 0.746 4.706 3.960 -0.000 0.000 0.327 243 G HA3 0.746 4.706 3.960 -0.000 0.000 0.327 243 G C -0.178 174.754 174.900 0.055 0.000 1.182 243 G CA 0.204 45.331 45.100 0.045 0.000 0.924 243 G HN 1.524 nan 8.290 nan 0.000 0.470 244 A N 1.283 124.156 122.820 0.088 0.000 2.299 244 A HA 0.704 5.024 4.320 -0.000 0.000 0.332 244 A C 0.031 177.769 177.584 0.257 0.000 1.131 244 A CA -0.643 51.454 52.037 0.100 0.000 0.844 244 A CB 1.070 20.084 19.000 0.023 0.000 1.251 244 A HN 0.656 nan 8.150 nan 0.000 0.486 245 Y N -0.677 119.660 120.300 0.063 0.000 2.347 245 Y HA 0.159 4.709 4.550 -0.000 0.000 0.294 245 Y C 0.499 176.525 175.900 0.209 0.000 1.117 245 Y CA 0.135 58.307 58.100 0.120 0.000 1.184 245 Y CB 0.357 38.898 38.460 0.136 0.000 1.047 245 Y HN 0.657 nan 8.280 nan 0.000 0.546 246 W N 1.549 122.959 121.300 0.185 0.000 3.405 246 W HA 0.312 4.971 4.660 -0.000 0.000 0.329 246 W C -3.293 173.254 176.519 0.047 0.000 1.142 246 W CA -2.122 55.283 57.345 0.101 0.000 1.235 246 W CB 2.091 31.614 29.460 0.104 0.000 1.341 246 W HN -0.164 nan 8.180 nan 0.000 0.481 247 P HA 0.198 nan 4.420 nan 0.000 0.274 247 P C -2.542 174.434 177.300 -0.540 0.000 1.256 247 P CA -0.955 61.336 63.100 -1.349 0.000 0.795 247 P CB 0.284 31.396 31.700 -0.980 0.000 1.038 248 P HA 0.084 nan 4.420 nan 0.000 0.268 248 P C -0.824 176.379 177.300 -0.161 0.000 1.485 248 P CA 0.464 63.465 63.100 -0.164 0.000 1.102 248 P CB -0.459 31.180 31.700 -0.102 0.000 1.501 249 Q N 2.474 122.208 119.800 -0.110 0.000 2.756 249 Q HA 0.641 4.981 4.340 -0.000 0.000 0.295 249 Q C -1.573 174.415 176.000 -0.021 0.000 0.903 249 Q CA -1.028 54.687 55.803 -0.146 0.000 0.768 249 Q CB 1.109 29.726 28.738 -0.202 0.000 1.472 249 Q HN 0.187 nan 8.270 nan 0.000 0.416 250 F N -1.008 118.899 119.950 -0.071 0.000 2.588 250 F HA 0.990 5.517 4.527 -0.000 0.000 0.314 250 F C -1.489 174.262 175.800 -0.082 0.000 1.069 250 F CA -0.824 57.129 58.000 -0.079 0.000 0.931 250 F CB 1.814 40.762 39.000 -0.087 0.000 1.260 250 F HN 0.857 nan 8.300 nan 0.000 0.465 251 A N 2.724 125.651 122.820 0.177 0.000 2.435 251 A HA 0.852 5.172 4.320 -0.000 0.000 0.304 251 A C -1.457 176.168 177.584 0.068 0.000 1.064 251 A CA -0.835 51.238 52.037 0.060 0.000 0.727 251 A CB 1.285 20.280 19.000 -0.008 0.000 1.284 251 A HN 0.818 nan 8.150 nan 0.000 0.415 252 I N 1.772 122.359 120.570 0.028 0.000 2.406 252 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 252 I C -0.385 175.705 176.117 -0.046 0.000 0.999 252 I CA -0.131 61.163 61.300 -0.010 0.000 1.124 252 I CB 1.900 39.897 38.000 -0.005 0.000 1.289 252 I HN 0.688 nan 8.210 nan 0.000 0.441 253 M N 3.654 123.232 119.600 -0.036 0.000 2.761 253 M HA 0.353 4.832 4.480 -0.000 0.000 0.305 253 M C -0.664 175.658 176.300 0.036 0.000 1.235 253 M CA -0.728 54.529 55.300 -0.072 0.000 0.850 253 M CB 1.535 34.050 32.600 -0.142 0.000 1.744 253 M HN 0.341 nan 8.290 nan 0.000 0.480 254 D N 0.389 120.769 120.400 -0.034 0.000 2.371 254 D HA 0.206 4.845 4.640 -0.000 0.000 0.256 254 D C 1.163 177.425 176.300 -0.063 0.000 1.193 254 D CA 0.556 54.557 54.000 0.002 0.000 0.881 254 D CB 0.997 41.768 40.800 -0.049 0.000 1.143 254 D HN 0.708 nan 8.370 nan 0.000 0.473 255 G N 3.193 111.934 108.800 -0.098 0.000 2.586 255 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 255 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 255 G C 1.260 176.030 174.900 -0.216 0.000 1.128 255 G CA 0.433 45.448 45.100 -0.143 0.000 0.774 255 G HN 0.528 nan 8.290 nan 0.000 0.543 256 E N -0.245 119.848 120.200 -0.177 0.000 2.244 256 E HA 0.020 4.369 4.350 -0.000 0.000 0.196 256 E C 2.427 178.934 176.600 -0.156 0.000 0.939 256 E CA 1.307 57.586 56.400 -0.201 0.000 0.884 256 E CB 0.309 29.954 29.700 -0.092 0.000 0.850 256 E HN 0.335 nan 8.360 nan 0.000 0.481 257 T N -2.504 112.033 114.554 -0.028 0.000 3.004 257 T HA 0.263 4.613 4.350 -0.000 0.000 0.266 257 T C 0.905 175.771 174.700 0.277 0.000 0.986 257 T CA 0.033 62.223 62.100 0.150 0.000 0.902 257 T CB 0.221 69.291 68.868 0.336 0.000 1.118 257 T HN 0.163 nan 8.240 nan 0.000 0.522 258 L N 0.453 121.690 121.223 0.024 0.000 4.560 258 L HA -0.147 4.193 4.340 -0.000 0.000 0.415 258 L C 0.304 176.847 176.870 -0.545 0.000 1.123 258 L CA 0.424 55.209 54.840 -0.092 0.000 0.991 258 L CB -1.540 40.569 42.059 0.083 0.000 2.127 258 L HN 0.575 nan 8.230 nan 0.000 0.765 259 E N 3.624 123.402 120.200 -0.703 0.000 2.366 259 E HA 0.136 4.486 4.350 -0.000 0.000 0.266 259 E C -1.942 174.224 176.600 -0.723 0.000 1.015 259 E CA -1.530 54.029 56.400 -1.402 0.000 0.906 259 E CB 0.812 29.950 29.700 -0.936 0.000 0.979 259 E HN 0.060 nan 8.360 nan 0.000 0.443 260 P HA -0.010 nan 4.420 nan 0.000 0.271 260 P C -0.537 176.620 177.300 -0.238 0.000 1.233 260 P CA -0.072 62.825 63.100 -0.337 0.000 0.764 260 P CB 1.162 32.700 31.700 -0.270 0.000 0.825 261 K N 1.922 122.229 120.400 -0.156 0.000 2.225 261 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 261 K C 0.918 177.460 176.600 -0.096 0.000 1.047 261 K CA 1.028 57.251 56.287 -0.106 0.000 0.970 261 K CB 0.195 32.657 32.500 -0.064 0.000 0.939 261 K HN 0.518 nan 8.250 nan 0.000 0.472 262 Q N 0.094 119.839 119.800 -0.093 0.000 2.397 262 Q HA 0.513 4.853 4.340 -0.000 0.000 0.275 262 Q C -0.793 175.140 176.000 -0.111 0.000 1.090 262 Q CA -0.451 55.295 55.803 -0.094 0.000 0.809 262 Q CB 2.856 31.547 28.738 -0.078 0.000 1.362 262 Q HN 0.089 nan 8.270 nan 0.000 0.431 263 I N 1.140 121.616 120.570 -0.157 0.000 2.499 263 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 263 I C -0.656 175.260 176.117 -0.335 0.000 1.048 263 I CA -0.964 60.205 61.300 -0.219 0.000 1.062 263 I CB 2.161 40.064 38.000 -0.161 0.000 1.238 263 I HN 0.139 nan 8.210 nan 0.000 0.426 264 V N 4.039 123.579 119.914 -0.623 0.000 2.680 264 V HA 0.400 4.520 4.120 -0.000 0.000 0.309 264 V C 0.035 175.748 176.094 -0.635 0.000 1.052 264 V CA -0.631 61.237 62.300 -0.720 0.000 0.908 264 V CB 2.095 33.224 31.823 -1.158 0.000 1.001 264 V HN 0.778 nan 8.190 nan 0.000 0.431 265 S N 1.795 117.280 115.700 -0.359 0.000 2.537 265 S HA 0.297 4.767 4.470 -0.000 0.000 0.275 265 S C 1.036 175.544 174.600 -0.154 0.000 1.272 265 S CA 0.154 58.217 58.200 -0.227 0.000 1.050 265 S CB 1.168 64.285 63.200 -0.138 0.000 0.961 265 S HN 1.018 nan 8.310 nan 0.000 0.496 266 T N 2.074 116.573 114.554 -0.092 0.000 3.122 266 T HA 0.300 4.650 4.350 -0.000 0.000 0.250 266 T C 0.597 175.278 174.700 -0.032 0.000 1.067 266 T CA -0.274 61.814 62.100 -0.019 0.000 0.966 266 T CB -0.149 68.733 68.868 0.024 0.000 1.002 266 T HN 0.545 nan 8.240 nan 0.000 0.542 267 R N 0.940 121.424 120.500 -0.025 0.000 2.643 267 R HA 0.546 4.886 4.340 -0.000 0.000 0.270 267 R C 0.786 177.107 176.300 0.035 0.000 1.061 267 R CA 0.756 56.852 56.100 -0.005 0.000 1.107 267 R CB 0.439 30.794 30.300 0.092 0.000 0.999 267 R HN 0.553 nan 8.270 nan 0.000 0.460 268 G N 1.204 109.980 108.800 -0.040 0.000 2.344 268 G HA2 0.114 4.074 3.960 -0.000 0.000 0.282 268 G HA3 0.114 4.074 3.960 -0.000 0.000 0.282 268 G C -1.415 173.488 174.900 0.004 0.000 1.281 268 G CA -0.992 44.153 45.100 0.075 0.000 0.877 268 G HN 0.234 nan 8.290 nan 0.000 0.494 269 M N 1.822 121.461 119.600 0.065 0.000 2.235 269 M HA 0.391 4.871 4.480 -0.000 0.000 0.351 269 M C 1.139 177.433 176.300 -0.010 0.000 1.178 269 M CA -0.507 54.822 55.300 0.048 0.000 1.143 269 M CB 0.314 32.952 32.600 0.064 0.000 1.530 269 M HN 0.848 nan 8.290 nan 0.000 0.461 270 T N -1.305 113.240 114.554 -0.015 0.000 2.868 270 T HA 0.309 4.659 4.350 -0.000 0.000 0.292 270 T C 1.080 175.758 174.700 -0.038 0.000 1.028 270 T CA -0.832 61.237 62.100 -0.053 0.000 1.059 270 T CB 1.364 70.206 68.868 -0.044 0.000 0.991 270 T HN 0.478 nan 8.240 nan 0.000 0.531 271 V N 1.356 121.236 119.914 -0.057 0.000 2.488 271 V HA -0.058 4.062 4.120 -0.000 0.000 0.246 271 V C 2.101 178.183 176.094 -0.020 0.000 1.046 271 V CA 2.375 64.653 62.300 -0.036 0.000 1.053 271 V CB -0.793 31.003 31.823 -0.045 0.000 0.679 271 V HN 1.054 nan 8.190 nan 0.000 0.458 272 D N -0.004 120.383 120.400 -0.021 0.000 2.113 272 D HA -0.151 4.489 4.640 -0.000 0.000 0.206 272 D C 2.002 178.306 176.300 0.008 0.000 0.979 272 D CA 2.278 56.277 54.000 -0.001 0.000 0.862 272 D CB -1.328 39.478 40.800 0.010 0.000 1.013 272 D HN 0.523 nan 8.370 nan 0.000 0.455 273 T N -3.409 111.152 114.554 0.011 0.000 3.088 273 T HA 0.010 4.360 4.350 -0.000 0.000 0.259 273 T C 0.665 175.378 174.700 0.021 0.000 1.122 273 T CA 0.182 62.294 62.100 0.020 0.000 1.095 273 T CB -0.593 68.292 68.868 0.028 0.000 0.930 273 T HN 0.307 nan 8.240 nan 0.000 0.508 274 Q N 1.893 121.703 119.800 0.016 0.000 2.451 274 Q HA -0.149 4.191 4.340 -0.000 0.000 0.305 274 Q C -0.449 175.575 176.000 0.041 0.000 1.345 274 Q CA 0.833 56.650 55.803 0.023 0.000 0.854 274 Q CB -2.453 26.297 28.738 0.019 0.000 1.162 274 Q HN 0.894 nan 8.270 nan 0.000 0.440 275 T N -3.589 110.994 114.554 0.048 0.000 2.908 275 T HA 0.506 4.856 4.350 -0.000 0.000 0.290 275 T C -0.510 174.252 174.700 0.105 0.000 1.034 275 T CA -0.935 61.210 62.100 0.075 0.000 1.010 275 T CB 1.529 70.432 68.868 0.058 0.000 1.068 275 T HN 0.245 nan 8.240 nan 0.000 0.481 276 Y N 2.320 122.631 120.300 0.019 0.000 2.610 276 Y HA 0.268 4.817 4.550 -0.000 0.000 0.332 276 Y C 0.309 176.234 175.900 0.041 0.000 1.201 276 Y CA 0.147 58.264 58.100 0.029 0.000 1.465 276 Y CB 0.298 38.765 38.460 0.012 0.000 1.283 276 Y HN 0.814 nan 8.280 nan 0.000 0.563 277 H N 8.668 127.225 119.070 -0.854 0.000 2.800 277 H HA 0.262 4.818 4.556 -0.000 0.000 0.322 277 H C -2.128 172.657 175.328 -0.905 0.000 0.979 277 H CA -2.417 53.256 56.048 -0.625 0.000 1.277 277 H CB 2.217 31.772 29.762 -0.345 0.000 1.484 277 H HN 0.515 nan 8.280 nan 0.000 0.512 278 P HA -0.070 nan 4.420 nan 0.000 0.230 278 P C -0.345 177.021 177.300 0.111 0.000 1.158 278 P CA 0.786 63.801 63.100 -0.141 0.000 0.769 278 P CB 0.512 32.247 31.700 0.059 0.000 0.807 279 E N -0.843 119.526 120.200 0.281 0.000 3.428 279 E HA 0.369 4.719 4.350 -0.000 0.000 0.286 279 E C -3.109 173.604 176.600 0.187 0.000 1.204 279 E CA -2.071 54.509 56.400 0.300 0.000 1.015 279 E CB 0.489 30.436 29.700 0.412 0.000 1.370 279 E HN 0.082 nan 8.360 nan 0.000 0.391 280 P HA 0.247 nan 4.420 nan 0.000 0.286 280 P C -0.762 176.476 177.300 -0.104 0.000 1.269 280 P CA -0.495 62.466 63.100 -0.232 0.000 0.787 280 P CB 0.687 32.220 31.700 -0.277 0.000 0.920 281 R N 1.602 122.018 120.500 -0.140 0.000 2.457 281 R HA 0.427 4.767 4.340 -0.000 0.000 0.284 281 R C -0.463 175.817 176.300 -0.034 0.000 1.024 281 R CA -0.864 55.172 56.100 -0.107 0.000 1.025 281 R CB 0.638 30.688 30.300 -0.416 0.000 1.063 281 R HN 0.210 nan 8.270 nan 0.000 0.493 282 V N 3.536 123.514 119.914 0.105 0.000 2.387 282 V HA 0.065 4.185 4.120 -0.000 0.000 0.260 282 V C 1.047 177.258 176.094 0.196 0.000 1.054 282 V CA 0.433 62.804 62.300 0.119 0.000 0.967 282 V CB 0.525 32.426 31.823 0.131 0.000 1.036 282 V HN 1.037 nan 8.190 nan 0.000 0.481 283 A N 4.708 127.599 122.820 0.118 0.000 1.897 283 A HA 0.563 4.883 4.320 -0.000 0.000 0.215 283 A C 1.100 178.773 177.584 0.148 0.000 1.181 283 A CA 1.263 53.397 52.037 0.163 0.000 0.620 283 A CB 0.067 19.118 19.000 0.084 0.000 0.821 283 A HN 1.205 nan 8.150 nan 0.000 0.443 284 A N -1.749 121.118 122.820 0.079 0.000 2.601 284 A HA 0.684 5.004 4.320 -0.000 0.000 0.291 284 A C -1.242 176.312 177.584 -0.049 0.000 1.075 284 A CA -0.442 51.618 52.037 0.039 0.000 0.671 284 A CB 0.657 19.707 19.000 0.083 0.000 1.277 284 A HN 0.277 nan 8.150 nan 0.000 0.417 285 I N 0.796 121.300 120.570 -0.109 0.000 2.769 285 I HA 0.647 4.817 4.170 -0.000 0.000 0.298 285 I C -1.109 174.864 176.117 -0.241 0.000 1.128 285 I CA -0.614 60.560 61.300 -0.210 0.000 1.031 285 I CB 2.270 40.117 38.000 -0.254 0.000 1.235 285 I HN 0.676 nan 8.210 nan 0.000 0.423 286 I N 3.560 123.942 120.570 -0.314 0.000 2.680 286 I HA 0.549 4.719 4.170 -0.000 0.000 0.291 286 I C -0.630 175.426 176.117 -0.101 0.000 1.244 286 I CA -0.444 60.669 61.300 -0.312 0.000 1.042 286 I CB 1.863 39.422 38.000 -0.735 0.000 1.277 286 I HN 0.700 nan 8.210 nan 0.000 0.423 287 A N 5.138 128.022 122.820 0.107 0.000 2.409 287 A HA 0.495 4.814 4.320 -0.000 0.000 0.267 287 A C 0.105 177.795 177.584 0.177 0.000 1.127 287 A CA 0.028 52.204 52.037 0.231 0.000 0.795 287 A CB 0.663 19.796 19.000 0.222 0.000 1.061 287 A HN 0.728 nan 8.150 nan 0.000 0.502 288 S N 0.988 116.763 115.700 0.125 0.000 2.592 288 S HA 0.255 4.725 4.470 -0.000 0.000 0.271 288 S C 0.684 175.187 174.600 -0.161 0.000 1.326 288 S CA -0.363 57.915 58.200 0.130 0.000 1.024 288 S CB 0.201 63.447 63.200 0.077 0.000 0.921 288 S HN 0.721 nan 8.310 nan 0.000 0.527 289 H N 1.654 120.694 119.070 -0.050 0.000 2.681 289 H HA 0.238 4.794 4.556 -0.000 0.000 0.268 289 H C 1.395 176.763 175.328 0.066 0.000 0.967 289 H CA 0.119 56.152 56.048 -0.026 0.000 1.233 289 H CB 0.287 29.913 29.762 -0.228 0.000 1.445 289 H HN 0.650 nan 8.280 nan 0.000 0.494 290 E N 0.655 120.841 120.200 -0.023 0.000 2.107 290 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 290 E C 0.268 176.625 176.600 -0.405 0.000 0.982 290 E CA 0.982 57.246 56.400 -0.227 0.000 0.809 290 E CB 0.330 29.765 29.700 -0.440 0.000 0.756 290 E HN 0.501 nan 8.360 nan 0.000 0.459 291 H N -1.503 117.446 119.070 -0.201 0.000 2.985 291 H HA 0.226 4.782 4.556 -0.000 0.000 0.360 291 H C -2.325 172.313 175.328 -1.150 0.000 1.221 291 H CA -2.168 53.397 56.048 -0.805 0.000 1.121 291 H CB 1.646 31.102 29.762 -0.510 0.000 1.854 291 H HN -0.182 nan 8.280 nan 0.000 0.551 292 P HA 0.051 nan 4.420 nan 0.000 0.235 292 P C -0.614 175.666 177.300 -1.699 0.000 1.765 292 P CA 0.251 62.439 63.100 -1.520 0.000 1.034 292 P CB -0.241 30.502 31.700 -1.595 0.000 1.984 293 E N 0.612 120.263 120.200 -0.916 0.000 2.413 293 E HA 0.507 4.857 4.350 -0.000 0.000 0.277 293 E C -1.319 175.131 176.600 -0.249 0.000 0.958 293 E CA -1.050 54.999 56.400 -0.586 0.000 0.779 293 E CB 0.985 30.453 29.700 -0.388 0.000 1.278 293 E HN -0.121 nan 8.360 nan 0.000 0.456 294 F N 0.941 120.898 119.950 0.012 0.000 2.422 294 F HA 0.379 4.905 4.527 -0.000 0.000 0.333 294 F C 0.132 175.812 175.800 -0.200 0.000 1.095 294 F CA -1.234 56.715 58.000 -0.086 0.000 1.038 294 F CB 1.170 40.083 39.000 -0.146 0.000 1.156 294 F HN 0.323 nan 8.300 nan 0.000 0.483 295 I N 4.606 125.146 120.570 -0.051 0.000 2.307 295 I HA 0.271 4.441 4.170 -0.000 0.000 0.289 295 I C -0.463 175.487 176.117 -0.279 0.000 1.021 295 I CA -0.576 60.584 61.300 -0.233 0.000 1.224 295 I CB 0.701 38.411 38.000 -0.484 0.000 1.376 295 I HN 0.129 nan 8.210 nan 0.000 0.470 296 V N 6.561 126.330 119.914 -0.242 0.000 2.370 296 V HA 0.336 4.456 4.120 -0.000 0.000 0.283 296 V C 0.164 176.187 176.094 -0.119 0.000 1.023 296 V CA -0.767 61.392 62.300 -0.235 0.000 0.857 296 V CB 1.531 33.133 31.823 -0.369 0.000 0.985 296 V HN 0.570 nan 8.190 nan 0.000 0.443 297 N N 3.442 122.104 118.700 -0.063 0.000 2.414 297 N HA 0.396 5.136 4.740 -0.000 0.000 0.256 297 N C -0.587 174.917 175.510 -0.010 0.000 1.029 297 N CA -0.100 52.951 53.050 0.000 0.000 0.948 297 N CB 1.651 40.177 38.487 0.066 0.000 1.102 297 N HN 0.457 nan 8.380 nan 0.000 0.496 298 V N 3.394 123.291 119.914 -0.029 0.000 2.370 298 V HA 0.190 4.310 4.120 -0.000 0.000 0.279 298 V C 1.589 177.618 176.094 -0.107 0.000 1.029 298 V CA -0.669 61.599 62.300 -0.054 0.000 0.870 298 V CB 1.435 33.226 31.823 -0.053 0.000 0.984 298 V HN 0.657 nan 8.190 nan 0.000 0.451 299 K N 3.502 123.826 120.400 -0.126 0.000 1.965 299 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 299 K C 1.716 178.102 176.600 -0.356 0.000 1.048 299 K CA 2.129 58.316 56.287 -0.168 0.000 0.960 299 K CB 0.069 32.496 32.500 -0.122 0.000 0.732 299 K HN 0.728 nan 8.250 nan 0.000 0.444 300 E N -0.202 119.698 120.200 -0.499 0.000 2.153 300 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 300 E C 1.807 178.007 176.600 -0.667 0.000 0.988 300 E CA 1.898 57.812 56.400 -0.810 0.000 0.811 300 E CB -0.201 28.870 29.700 -1.048 0.000 0.746 300 E HN 0.634 nan 8.360 nan 0.000 0.466 301 T N -3.366 110.915 114.554 -0.455 0.000 3.081 301 T HA 0.194 4.544 4.350 -0.000 0.000 0.255 301 T C 1.514 176.089 174.700 -0.207 0.000 1.113 301 T CA 0.251 62.181 62.100 -0.284 0.000 1.082 301 T CB 0.008 68.758 68.868 -0.197 0.000 0.939 301 T HN 0.240 nan 8.240 nan 0.000 0.506 302 G N 1.644 110.312 108.800 -0.220 0.000 2.314 302 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.292 302 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.292 302 G C -0.320 174.529 174.900 -0.085 0.000 1.059 302 G CA 0.086 45.102 45.100 -0.140 0.000 0.982 302 G HN 0.675 nan 8.290 nan 0.000 0.505 303 K N -0.695 119.660 120.400 -0.075 0.000 2.378 303 K HA 0.569 4.889 4.320 -0.000 0.000 0.252 303 K C -0.247 176.336 176.600 -0.029 0.000 0.931 303 K CA -0.979 55.281 56.287 -0.045 0.000 0.794 303 K CB 2.883 35.359 32.500 -0.041 0.000 1.181 303 K HN 0.021 nan 8.250 nan 0.000 0.425 304 V N 4.984 124.888 119.914 -0.016 0.000 2.334 304 V HA 0.250 4.370 4.120 -0.000 0.000 0.267 304 V C -0.141 175.936 176.094 -0.028 0.000 1.040 304 V CA -0.719 61.576 62.300 -0.008 0.000 0.866 304 V CB 0.313 32.153 31.823 0.028 0.000 1.019 304 V HN 0.562 nan 8.190 nan 0.000 0.468 305 L N 5.920 127.113 121.223 -0.050 0.000 2.292 305 L HA 0.500 4.839 4.340 -0.000 0.000 0.284 305 L C -0.269 176.548 176.870 -0.088 0.000 1.065 305 L CA -0.418 54.390 54.840 -0.054 0.000 0.806 305 L CB 1.109 43.147 42.059 -0.035 0.000 1.175 305 L HN 0.401 nan 8.230 nan 0.000 0.431 306 L N 4.858 126.039 121.223 -0.069 0.000 2.283 306 L HA 0.346 4.686 4.340 -0.000 0.000 0.281 306 L C -0.470 176.347 176.870 -0.088 0.000 1.033 306 L CA -0.580 54.210 54.840 -0.084 0.000 0.848 306 L CB 1.453 43.466 42.059 -0.077 0.000 1.226 306 L HN 0.343 nan 8.230 nan 0.000 0.429 307 V N 2.830 122.694 119.914 -0.083 0.000 2.334 307 V HA 0.162 4.282 4.120 -0.000 0.000 0.267 307 V C 0.582 176.616 176.094 -0.100 0.000 1.040 307 V CA -0.584 61.690 62.300 -0.044 0.000 0.866 307 V CB 1.013 32.824 31.823 -0.020 0.000 1.019 307 V HN 0.651 nan 8.190 nan 0.000 0.468 308 N N 4.170 122.761 118.700 -0.182 0.000 2.470 308 N HA 0.105 4.845 4.740 -0.000 0.000 0.268 308 N C -0.108 175.215 175.510 -0.312 0.000 1.136 308 N CA -0.229 52.603 53.050 -0.363 0.000 0.961 308 N CB 1.096 39.389 38.487 -0.323 0.000 1.067 308 N HN 0.752 nan 8.380 nan 0.000 0.468 309 Y N 2.167 122.256 120.300 -0.352 0.000 2.720 309 Y HA 0.364 4.914 4.550 -0.000 0.000 0.277 309 Y C 1.607 177.360 175.900 -0.245 0.000 1.144 309 Y CA -0.667 57.227 58.100 -0.344 0.000 1.221 309 Y CB -0.082 38.109 38.460 -0.447 0.000 1.163 309 Y HN 0.425 nan 8.280 nan 0.000 0.537 310 K N 0.814 121.030 120.400 -0.306 0.000 2.097 310 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 310 K C -0.374 176.267 176.600 0.069 0.000 1.049 310 K CA 1.642 57.870 56.287 -0.097 0.000 0.933 310 K CB 0.123 32.537 32.500 -0.143 0.000 0.717 310 K HN 0.332 nan 8.250 nan 0.000 0.442 311 D N -0.121 120.276 120.400 -0.004 0.000 2.421 311 D HA 0.099 4.739 4.640 -0.000 0.000 0.254 311 D C 0.745 177.031 176.300 -0.022 0.000 1.238 311 D CA -0.447 53.565 54.000 0.020 0.000 0.919 311 D CB 1.036 41.834 40.800 -0.004 0.000 1.152 311 D HN 0.206 nan 8.370 nan 0.000 0.552 312 I N -0.215 120.339 120.570 -0.026 0.000 2.928 312 I HA 0.065 4.235 4.170 -0.000 0.000 0.266 312 I C 0.744 176.827 176.117 -0.056 0.000 1.234 312 I CA 0.471 61.710 61.300 -0.100 0.000 1.483 312 I CB 0.044 37.916 38.000 -0.213 0.000 1.097 312 I HN 0.040 nan 8.210 nan 0.000 0.455 313 D N 1.470 121.857 120.400 -0.023 0.000 2.149 313 D HA -0.057 4.582 4.640 -0.000 0.000 0.201 313 D C 0.297 176.580 176.300 -0.028 0.000 0.972 313 D CA 0.962 54.950 54.000 -0.021 0.000 0.835 313 D CB -0.011 40.786 40.800 -0.005 0.000 0.966 313 D HN 0.331 nan 8.370 nan 0.000 0.476 314 N N 0.919 119.602 118.700 -0.028 0.000 2.804 314 N HA 0.180 4.920 4.740 -0.000 0.000 0.251 314 N C -1.190 174.296 175.510 -0.040 0.000 1.250 314 N CA -0.434 52.597 53.050 -0.032 0.000 0.820 314 N CB 1.159 39.630 38.487 -0.027 0.000 1.156 314 N HN 0.005 nan 8.380 nan 0.000 0.512 315 L N 1.287 122.486 121.223 -0.039 0.000 2.453 315 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 315 L C 0.541 177.387 176.870 -0.041 0.000 1.182 315 L CA 0.775 55.593 54.840 -0.037 0.000 0.858 315 L CB 0.347 42.399 42.059 -0.011 0.000 1.120 315 L HN 0.298 nan 8.230 nan 0.000 0.474 316 T N 3.966 118.483 114.554 -0.062 0.000 2.779 316 T HA 0.637 4.987 4.350 -0.000 0.000 0.280 316 T C -0.631 174.033 174.700 -0.061 0.000 0.987 316 T CA -0.439 61.619 62.100 -0.070 0.000 0.966 316 T CB 1.250 70.055 68.868 -0.104 0.000 0.933 316 T HN 0.265 nan 8.240 nan 0.000 0.442 317 V N 3.454 123.346 119.914 -0.036 0.000 2.531 317 V HA 0.473 4.593 4.120 -0.000 0.000 0.301 317 V C 0.069 176.144 176.094 -0.032 0.000 1.034 317 V CA -0.831 61.457 62.300 -0.019 0.000 0.865 317 V CB 2.147 33.993 31.823 0.039 0.000 0.995 317 V HN 0.928 nan 8.190 nan 0.000 0.424 318 T N 2.876 117.402 114.554 -0.046 0.000 2.767 318 T HA 0.303 4.652 4.350 -0.000 0.000 0.284 318 T C 0.071 174.754 174.700 -0.029 0.000 0.973 318 T CA -0.165 61.908 62.100 -0.045 0.000 0.996 318 T CB 1.377 70.207 68.868 -0.063 0.000 0.927 318 T HN 0.592 nan 8.240 nan 0.000 0.456 319 S N 3.752 119.440 115.700 -0.020 0.000 2.434 319 S HA 0.460 4.930 4.470 -0.000 0.000 0.318 319 S C -0.036 174.554 174.600 -0.017 0.000 1.062 319 S CA -0.738 57.453 58.200 -0.014 0.000 1.116 319 S CB -0.464 62.732 63.200 -0.007 0.000 0.977 319 S HN 0.539 nan 8.310 nan 0.000 0.480 320 I N 4.438 124.998 120.570 -0.017 0.000 2.301 320 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 320 I C 1.194 177.300 176.117 -0.018 0.000 1.046 320 I CA -0.619 60.671 61.300 -0.015 0.000 1.282 320 I CB 1.038 39.033 38.000 -0.009 0.000 1.409 320 I HN 0.601 nan 8.210 nan 0.000 0.484 321 G N 4.204 112.993 108.800 -0.020 0.000 2.378 321 G HA2 0.465 4.425 3.960 -0.000 0.000 0.255 321 G HA3 0.465 4.425 3.960 -0.000 0.000 0.255 321 G C 0.205 175.089 174.900 -0.027 0.000 1.270 321 G CA 0.223 45.308 45.100 -0.024 0.000 0.876 321 G HN 0.794 nan 8.290 nan 0.000 0.521 322 A N 2.406 125.207 122.820 -0.031 0.000 2.385 322 A HA 0.952 5.272 4.320 -0.000 0.000 0.209 322 A C 0.729 178.295 177.584 -0.030 0.000 2.123 322 A CA 0.717 52.733 52.037 -0.035 0.000 1.674 322 A CB 0.051 19.029 19.000 -0.038 0.000 1.212 322 A HN 1.887 nan 8.150 nan 0.000 0.422 323 A N -0.047 122.755 122.820 -0.029 0.000 2.498 323 A HA 0.745 5.065 4.320 -0.000 0.000 0.298 323 A C -3.055 174.519 177.584 -0.016 0.000 1.075 323 A CA -1.716 50.314 52.037 -0.011 0.000 0.714 323 A CB 0.974 19.976 19.000 0.004 0.000 1.299 323 A HN 0.323 nan 8.150 nan 0.000 0.407 324 P HA 0.378 nan 4.420 nan 0.000 0.271 324 P C -0.585 176.765 177.300 0.082 0.000 1.216 324 P CA 0.530 63.600 63.100 -0.050 0.000 0.776 324 P CB -0.015 31.702 31.700 0.029 0.000 0.881 325 F N -1.419 118.503 119.950 -0.046 0.000 3.030 325 F HA -0.197 4.330 4.527 -0.000 0.000 0.309 325 F C 0.660 176.435 175.800 -0.042 0.000 0.941 325 F CA 0.089 58.060 58.000 -0.048 0.000 1.082 325 F CB -2.222 36.760 39.000 -0.031 0.000 1.113 325 F HN 0.225 nan 8.300 nan 0.000 0.716 326 L N 0.290 121.528 121.223 0.025 0.000 2.514 326 L HA 0.297 4.637 4.340 -0.000 0.000 0.280 326 L C 1.035 177.927 176.870 0.036 0.000 1.223 326 L CA 0.766 55.615 54.840 0.016 0.000 0.864 326 L CB 0.434 42.485 42.059 -0.014 0.000 1.118 326 L HN 0.479 nan 8.230 nan 0.000 0.494 327 A N 2.651 125.484 122.820 0.023 0.000 3.837 327 A HA 0.459 4.779 4.320 -0.000 0.000 0.167 327 A C -0.762 176.835 177.584 0.021 0.000 0.997 327 A CA -0.460 51.593 52.037 0.028 0.000 0.865 327 A CB 0.498 19.504 19.000 0.011 0.000 1.484 327 A HN 0.585 nan 8.150 nan 0.000 0.688 328 D N -1.891 118.515 120.400 0.010 0.000 2.423 328 D HA 0.613 5.253 4.640 -0.000 0.000 0.255 328 D C 0.211 176.485 176.300 -0.043 0.000 1.174 328 D CA 1.089 55.106 54.000 0.029 0.000 1.008 328 D CB 1.435 42.251 40.800 0.028 0.000 1.101 328 D HN 0.868 nan 8.370 nan 0.000 0.516 329 G N -1.982 106.811 108.800 -0.012 0.000 2.554 329 G HA2 0.620 4.580 3.960 -0.000 0.000 0.306 329 G HA3 0.620 4.580 3.960 -0.000 0.000 0.306 329 G C -1.005 173.930 174.900 0.058 0.000 1.320 329 G CA -0.146 44.830 45.100 -0.206 0.000 0.800 329 G HN 0.657 nan 8.290 nan 0.000 0.481 330 G N -1.998 106.795 108.800 -0.011 0.000 2.660 330 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 330 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 330 G C -1.499 173.580 174.900 0.299 0.000 1.432 330 G CA -0.907 44.385 45.100 0.320 0.000 0.807 330 G HN 0.571 nan 8.290 nan 0.000 0.485 331 W N 0.932 122.537 121.300 0.507 0.000 2.126 331 W HA 0.340 4.999 4.660 -0.000 0.000 0.346 331 W C 1.079 177.702 176.519 0.173 0.000 1.279 331 W CA -0.475 57.001 57.345 0.217 0.000 1.259 331 W CB 0.892 30.294 29.460 -0.097 0.000 1.133 331 W HN 0.617 nan 8.180 nan 0.000 0.592 332 D N -0.284 120.419 120.400 0.506 0.000 2.433 332 D HA 0.009 4.649 4.640 -0.000 0.000 0.255 332 D C 1.257 177.784 176.300 0.379 0.000 1.226 332 D CA 0.212 54.453 54.000 0.402 0.000 1.015 332 D CB 0.972 42.029 40.800 0.428 0.000 1.091 332 D HN 0.422 nan 8.370 nan 0.000 0.527 333 S N 0.012 115.889 115.700 0.294 0.000 2.387 333 S HA -0.259 4.211 4.470 -0.000 0.000 0.230 333 S C 1.990 176.658 174.600 0.114 0.000 1.035 333 S CA 1.730 60.043 58.200 0.189 0.000 1.014 333 S CB -0.937 62.336 63.200 0.122 0.000 0.836 333 S HN 0.640 nan 8.310 nan 0.000 0.466 334 S N 0.499 116.278 115.700 0.131 0.000 2.522 334 S HA -0.004 4.466 4.470 -0.000 0.000 0.227 334 S C 0.547 175.124 174.600 -0.038 0.000 0.986 334 S CA 0.455 58.661 58.200 0.010 0.000 0.929 334 S CB -1.068 62.179 63.200 0.078 0.000 0.769 334 S HN 0.752 nan 8.310 nan 0.000 0.529 335 H N -0.123 118.837 119.070 -0.183 0.000 2.903 335 H HA -0.111 4.445 4.556 -0.000 0.000 0.285 335 H C 1.279 176.157 175.328 -0.749 0.000 1.231 335 H CA 0.711 56.417 56.048 -0.570 0.000 1.135 335 H CB -0.865 28.426 29.762 -0.786 0.000 1.328 335 H HN 0.413 nan 8.280 nan 0.000 0.388 336 R N 0.132 120.510 120.500 -0.203 0.000 2.276 336 R HA 0.080 4.420 4.340 -0.000 0.000 0.195 336 R C -0.322 175.907 176.300 -0.118 0.000 0.908 336 R CA 0.454 56.362 56.100 -0.321 0.000 1.083 336 R CB 0.749 30.789 30.300 -0.432 0.000 1.182 336 R HN 0.132 nan 8.270 nan 0.000 0.608 337 Y N 0.093 120.613 120.300 0.368 0.000 2.328 337 Y HA 0.275 4.825 4.550 -0.000 0.000 0.337 337 Y C -0.508 175.663 175.900 0.452 0.000 1.008 337 Y CA -1.017 57.288 58.100 0.342 0.000 1.129 337 Y CB 1.003 39.588 38.460 0.208 0.000 1.185 337 Y HN -0.092 nan 8.280 nan 0.000 0.476 338 F N 5.745 125.823 119.950 0.213 0.000 2.371 338 F HA 0.421 4.947 4.527 -0.000 0.000 0.363 338 F C -0.803 174.844 175.800 -0.255 0.000 1.122 338 F CA -1.835 56.077 58.000 -0.146 0.000 1.129 338 F CB 0.450 39.242 39.000 -0.347 0.000 1.173 338 F HN 0.322 nan 8.300 nan 0.000 0.489 339 M N 5.827 124.956 119.600 -0.785 0.000 2.108 339 M HA 0.218 4.698 4.480 -0.000 0.000 0.347 339 M C 0.081 175.732 176.300 -1.083 0.000 1.326 339 M CA -0.027 54.649 55.300 -1.040 0.000 1.126 339 M CB 0.193 31.652 32.600 -1.901 0.000 1.606 339 M HN 0.573 nan 8.290 nan 0.000 0.462 340 T N 2.122 116.193 114.554 -0.806 0.000 2.876 340 T HA 0.827 5.177 4.350 -0.000 0.000 0.289 340 T C -0.603 173.940 174.700 -0.261 0.000 1.014 340 T CA -0.470 61.265 62.100 -0.609 0.000 0.986 340 T CB 1.519 69.988 68.868 -0.665 0.000 1.021 340 T HN 0.773 nan 8.240 nan 0.000 0.458 341 A N 2.469 125.205 122.820 -0.140 0.000 2.256 341 A HA 0.971 5.291 4.320 -0.000 0.000 0.318 341 A C -0.086 177.482 177.584 -0.028 0.000 1.103 341 A CA -0.417 51.594 52.037 -0.043 0.000 0.860 341 A CB 0.684 19.680 19.000 -0.008 0.000 1.182 341 A HN 1.344 nan 8.150 nan 0.000 0.501 342 A N 0.700 123.526 122.820 0.009 0.000 2.515 342 A HA 0.631 4.951 4.320 -0.000 0.000 0.298 342 A C -0.752 176.863 177.584 0.053 0.000 1.059 342 A CA -0.899 51.164 52.037 0.044 0.000 0.698 342 A CB 0.809 19.842 19.000 0.056 0.000 1.289 342 A HN 0.760 nan 8.150 nan 0.000 0.404 343 N N 1.352 120.096 118.700 0.074 0.000 2.458 343 N HA 0.078 4.818 4.740 -0.000 0.000 0.258 343 N C -0.169 175.336 175.510 -0.007 0.000 1.219 343 N CA 0.706 53.769 53.050 0.022 0.000 0.902 343 N CB -0.065 38.416 38.487 -0.010 0.000 1.076 343 N HN 0.747 nan 8.380 nan 0.000 0.455 344 N N -0.689 118.000 118.700 -0.019 0.000 2.714 344 N HA -0.221 4.518 4.740 -0.000 0.000 0.253 344 N C -1.207 174.310 175.510 0.012 0.000 1.024 344 N CA 0.466 53.504 53.050 -0.020 0.000 0.726 344 N CB -0.486 37.956 38.487 -0.075 0.000 0.908 344 N HN 0.445 nan 8.380 nan 0.000 0.542 345 S N 0.081 115.801 115.700 0.034 0.000 2.566 345 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 345 S C -0.041 174.595 174.600 0.059 0.000 1.157 345 S CA -0.897 57.330 58.200 0.045 0.000 0.938 345 S CB 0.799 64.029 63.200 0.050 0.000 1.087 345 S HN 0.370 nan 8.310 nan 0.000 0.474 346 N N 3.259 121.996 118.700 0.062 0.000 2.313 346 N HA 0.141 4.881 4.740 -0.000 0.000 0.207 346 N C -0.542 175.017 175.510 0.081 0.000 1.141 346 N CA -0.220 52.880 53.050 0.084 0.000 0.830 346 N CB -0.083 38.446 38.487 0.071 0.000 1.008 346 N HN 0.486 nan 8.380 nan 0.000 0.481 347 K N 0.151 120.588 120.400 0.061 0.000 2.244 347 K HA 0.453 4.772 4.320 -0.000 0.000 0.260 347 K C -1.003 175.617 176.600 0.034 0.000 0.951 347 K CA -0.871 55.445 56.287 0.048 0.000 0.826 347 K CB 2.846 35.364 32.500 0.030 0.000 1.108 347 K HN -0.190 nan 8.250 nan 0.000 0.433 348 V N 2.492 122.426 119.914 0.033 0.000 2.350 348 V HA 0.281 4.400 4.120 -0.000 0.000 0.276 348 V C -0.045 175.998 176.094 -0.086 0.000 1.028 348 V CA -0.838 61.456 62.300 -0.009 0.000 0.860 348 V CB 1.135 32.997 31.823 0.066 0.000 0.990 348 V HN 0.897 nan 8.190 nan 0.000 0.453 349 A N 5.538 128.276 122.820 -0.136 0.000 2.354 349 A HA 0.601 4.921 4.320 -0.000 0.000 0.281 349 A C -0.228 177.203 177.584 -0.256 0.000 1.174 349 A CA -0.240 51.699 52.037 -0.163 0.000 0.828 349 A CB 0.389 19.313 19.000 -0.126 0.000 1.099 349 A HN 0.669 nan 8.150 nan 0.000 0.516 350 V N 5.288 125.030 119.914 -0.287 0.000 2.350 350 V HA 0.229 4.349 4.120 -0.000 0.000 0.276 350 V C -0.206 175.736 176.094 -0.253 0.000 1.028 350 V CA -0.419 61.649 62.300 -0.387 0.000 0.860 350 V CB 0.810 32.189 31.823 -0.740 0.000 0.990 350 V HN 0.658 nan 8.190 nan 0.000 0.453 351 I N 3.762 124.273 120.570 -0.098 0.000 2.321 351 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 351 I C 0.167 176.365 176.117 0.134 0.000 0.998 351 I CA -0.422 60.899 61.300 0.034 0.000 1.227 351 I CB 1.389 39.470 38.000 0.135 0.000 1.368 351 I HN 0.538 nan 8.210 nan 0.000 0.466 352 D N 4.615 125.078 120.400 0.106 0.000 2.352 352 D HA 0.048 4.688 4.640 -0.000 0.000 0.245 352 D C 1.190 177.508 176.300 0.030 0.000 1.224 352 D CA 0.058 54.101 54.000 0.072 0.000 0.879 352 D CB 1.106 41.977 40.800 0.119 0.000 1.057 352 D HN 0.589 nan 8.370 nan 0.000 0.491 353 S N 3.209 118.926 115.700 0.029 0.000 2.561 353 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 353 S C 1.513 176.132 174.600 0.032 0.000 0.977 353 S CA 0.368 58.624 58.200 0.092 0.000 0.926 353 S CB 0.259 63.620 63.200 0.267 0.000 0.769 353 S HN 0.495 nan 8.310 nan 0.000 0.533 354 K N 1.059 121.424 120.400 -0.058 0.000 2.108 354 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 354 K C 0.709 177.388 176.600 0.132 0.000 1.036 354 K CA 1.214 57.477 56.287 -0.040 0.000 0.965 354 K CB -0.114 32.308 32.500 -0.131 0.000 0.804 354 K HN 0.158 nan 8.250 nan 0.000 0.454 355 D N 0.766 121.201 120.400 0.059 0.000 2.349 355 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 355 D C -0.523 175.803 176.300 0.044 0.000 1.029 355 D CA 0.276 54.315 54.000 0.064 0.000 0.879 355 D CB 0.143 40.980 40.800 0.062 0.000 0.906 355 D HN 0.175 nan 8.370 nan 0.000 0.528 356 R N 0.202 120.729 120.500 0.046 0.000 3.205 356 R HA -0.229 4.110 4.340 -0.000 0.000 0.249 356 R C -0.168 176.138 176.300 0.011 0.000 0.937 356 R CA 0.547 56.659 56.100 0.020 0.000 0.641 356 R CB -1.856 28.434 30.300 -0.017 0.000 1.114 356 R HN 0.401 nan 8.270 nan 0.000 0.451 357 R N -1.171 119.341 120.500 0.020 0.000 2.766 357 R HA 0.531 4.870 4.340 -0.000 0.000 0.270 357 R C -1.307 174.993 176.300 -0.001 0.000 1.035 357 R CA -1.276 54.829 56.100 0.009 0.000 0.911 357 R CB 0.754 31.062 30.300 0.013 0.000 1.243 357 R HN 0.000 nan 8.270 nan 0.000 0.460 358 L N 1.684 122.894 121.223 -0.021 0.000 2.261 358 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 358 L C 0.248 177.066 176.870 -0.087 0.000 1.059 358 L CA 0.391 55.197 54.840 -0.057 0.000 0.816 358 L CB 1.477 43.505 42.059 -0.052 0.000 1.191 358 L HN 0.807 nan 8.230 nan 0.000 0.431 359 S N 3.491 119.093 115.700 -0.163 0.000 2.395 359 S HA 0.479 4.949 4.470 -0.000 0.000 0.225 359 S C 0.554 174.962 174.600 -0.321 0.000 1.027 359 S CA 0.658 58.702 58.200 -0.259 0.000 0.965 359 S CB -0.090 62.821 63.200 -0.481 0.000 0.812 359 S HN 0.882 nan 8.310 nan 0.000 0.482 360 A N -0.089 122.527 122.820 -0.340 0.000 2.544 360 A HA 0.658 4.978 4.320 -0.000 0.000 0.291 360 A C -2.053 175.437 177.584 -0.156 0.000 1.055 360 A CA -0.751 51.154 52.037 -0.219 0.000 0.651 360 A CB 0.464 19.326 19.000 -0.230 0.000 1.296 360 A HN 0.165 nan 8.150 nan 0.000 0.431 361 L N 1.644 122.826 121.223 -0.068 0.000 2.433 361 L HA 0.355 4.694 4.340 -0.000 0.000 0.256 361 L C -0.792 176.082 176.870 0.007 0.000 1.063 361 L CA -0.706 54.112 54.840 -0.037 0.000 0.922 361 L CB 1.361 43.408 42.059 -0.019 0.000 1.238 361 L HN 0.501 nan 8.230 nan 0.000 0.466 362 V N 0.871 120.799 119.914 0.024 0.000 2.521 362 V HA 0.004 4.124 4.120 -0.000 0.000 0.286 362 V C 0.416 176.554 176.094 0.073 0.000 1.034 362 V CA -0.076 62.270 62.300 0.077 0.000 1.045 362 V CB 1.135 33.034 31.823 0.126 0.000 0.974 362 V HN 0.530 nan 8.190 nan 0.000 0.480 363 D N 5.134 125.575 120.400 0.069 0.000 2.468 363 D HA 0.261 4.901 4.640 -0.000 0.000 0.218 363 D C 0.138 176.481 176.300 0.072 0.000 1.155 363 D CA -0.224 53.814 54.000 0.063 0.000 0.924 363 D CB 0.907 41.735 40.800 0.048 0.000 1.029 363 D HN 0.424 nan 8.370 nan 0.000 0.515 364 V N 1.550 121.523 119.914 0.100 0.000 3.385 364 V HA 0.615 4.735 4.120 -0.000 0.000 0.301 364 V C 1.809 177.951 176.094 0.080 0.000 1.082 364 V CA 0.025 62.394 62.300 0.115 0.000 1.085 364 V CB 0.444 32.388 31.823 0.201 0.000 1.152 364 V HN 0.363 nan 8.190 nan 0.000 0.465 365 G N 1.121 109.935 108.800 0.023 0.000 2.736 365 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.214 365 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.214 365 G C 0.665 175.544 174.900 -0.035 0.000 1.327 365 G CA 1.007 46.075 45.100 -0.052 0.000 0.818 365 G HN 0.812 nan 8.290 nan 0.000 0.611 366 K N -0.580 119.746 120.400 -0.123 0.000 2.760 366 K HA 0.511 4.831 4.320 -0.000 0.000 0.285 366 K C 0.021 176.756 176.600 0.226 0.000 1.016 366 K CA -0.332 55.959 56.287 0.006 0.000 1.087 366 K CB -0.205 32.251 32.500 -0.074 0.000 1.427 366 K HN 0.051 nan 8.250 nan 0.000 0.524 367 T N 3.986 118.686 114.554 0.243 0.000 2.779 367 T HA 0.162 4.512 4.350 -0.000 0.000 0.296 367 T C -2.301 172.525 174.700 0.209 0.000 0.938 367 T CA -1.081 61.139 62.100 0.200 0.000 1.119 367 T CB 0.264 69.206 68.868 0.123 0.000 0.891 367 T HN 0.330 nan 8.240 nan 0.000 0.526 368 P HA 0.113 nan 4.420 nan 0.000 0.275 368 P C -0.658 176.618 177.300 -0.039 0.000 1.227 368 P CA -0.443 62.573 63.100 -0.140 0.000 0.781 368 P CB 0.485 32.170 31.700 -0.025 0.000 0.906 369 H N 4.459 123.421 119.070 -0.180 0.000 2.800 369 H HA 0.290 4.846 4.556 -0.000 0.000 0.291 369 H C -1.955 173.329 175.328 -0.074 0.000 1.076 369 H CA -1.715 54.269 56.048 -0.107 0.000 1.452 369 H CB -0.353 29.329 29.762 -0.134 0.000 1.461 369 H HN 0.206 nan 8.280 nan 0.000 0.488 370 P HA 0.193 nan 4.420 nan 0.000 0.260 370 P C -0.205 176.928 177.300 -0.279 0.000 1.185 370 P CA 0.651 63.586 63.100 -0.275 0.000 0.763 370 P CB 0.765 32.334 31.700 -0.217 0.000 0.776 371 G N 2.245 111.001 108.800 -0.074 0.000 2.342 371 G HA2 0.081 4.040 3.960 -0.000 0.000 0.297 371 G HA3 0.081 4.040 3.960 -0.000 0.000 0.297 371 G C 0.332 175.294 174.900 0.104 0.000 1.313 371 G CA -0.771 44.325 45.100 -0.007 0.000 0.830 371 G HN 0.257 nan 8.290 nan 0.000 0.506 372 R N -0.130 120.405 120.500 0.058 0.000 2.115 372 R HA 0.242 4.582 4.340 -0.000 0.000 0.230 372 R C 1.595 178.096 176.300 0.336 0.000 1.111 372 R CA 1.337 57.435 56.100 -0.003 0.000 0.976 372 R CB -0.468 29.470 30.300 -0.602 0.000 0.870 372 R HN 1.777 nan 8.270 nan 0.000 0.445 373 G N 0.082 108.999 108.800 0.195 0.000 2.725 373 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.220 373 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.220 373 G C -1.087 173.869 174.900 0.093 0.000 1.357 373 G CA -0.452 44.638 45.100 -0.016 0.000 0.866 373 G HN 0.544 nan 8.290 nan 0.000 0.548 374 A N 0.026 122.785 122.820 -0.102 0.000 2.427 374 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 374 A C -0.432 177.265 177.584 0.189 0.000 1.036 374 A CA -0.521 51.628 52.037 0.188 0.000 0.701 374 A CB 1.372 20.500 19.000 0.213 0.000 1.250 374 A HN 0.898 nan 8.150 nan 0.000 0.412 375 N N 1.211 120.118 118.700 0.345 0.000 2.361 375 N HA 0.835 5.574 4.740 -0.000 0.000 0.302 375 N C -1.076 174.642 175.510 0.346 0.000 1.074 375 N CA 0.102 53.319 53.050 0.278 0.000 0.850 375 N CB 1.962 40.633 38.487 0.305 0.000 1.228 375 N HN 0.689 nan 8.380 nan 0.000 0.491 376 F N -2.295 117.729 119.950 0.123 0.000 2.773 376 F HA 0.468 4.995 4.527 -0.000 0.000 0.314 376 F C -1.456 174.393 175.800 0.082 0.000 1.160 376 F CA -1.180 56.873 58.000 0.088 0.000 0.920 376 F CB 0.631 39.676 39.000 0.074 0.000 1.323 376 F HN 0.006 nan 8.300 nan 0.000 0.457 377 V N 2.508 122.627 119.914 0.341 0.000 2.334 377 V HA 0.204 4.324 4.120 -0.000 0.000 0.267 377 V C -0.147 176.137 176.094 0.316 0.000 1.040 377 V CA -0.356 62.064 62.300 0.199 0.000 0.866 377 V CB 0.171 32.076 31.823 0.137 0.000 1.019 377 V HN 0.814 nan 8.190 nan 0.000 0.468 378 H N 8.132 127.288 119.070 0.144 0.000 2.767 378 H HA 0.191 4.747 4.556 -0.000 0.000 0.316 378 H C -1.846 173.531 175.328 0.083 0.000 1.059 378 H CA -1.871 54.307 56.048 0.216 0.000 1.461 378 H CB 1.949 31.817 29.762 0.178 0.000 1.475 378 H HN 0.328 nan 8.280 nan 0.000 0.531 379 P HA -0.192 nan 4.420 nan 0.000 0.216 379 P C 1.302 178.691 177.300 0.148 0.000 1.157 379 P CA 2.033 65.217 63.100 0.140 0.000 0.880 379 P CB 0.288 32.014 31.700 0.044 0.000 0.791 380 K N -2.322 118.212 120.400 0.223 0.000 2.314 380 K HA -0.033 4.287 4.320 -0.000 0.000 0.198 380 K C 0.900 177.132 176.600 -0.612 0.000 1.045 380 K CA 0.834 56.955 56.287 -0.275 0.000 0.988 380 K CB 0.069 32.235 32.500 -0.557 0.000 0.783 380 K HN 0.135 nan 8.250 nan 0.000 0.484 381 Y N -0.470 119.650 120.300 -0.300 0.000 2.500 381 Y HA 0.308 4.858 4.550 -0.000 0.000 0.246 381 Y C 0.950 176.601 175.900 -0.414 0.000 1.146 381 Y CA 0.068 57.814 58.100 -0.591 0.000 1.230 381 Y CB 1.153 39.057 38.460 -0.927 0.000 1.214 381 Y HN 0.232 nan 8.280 nan 0.000 0.526 382 G N 0.795 109.483 108.800 -0.186 0.000 2.584 382 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.229 382 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.229 382 G C -2.833 171.948 174.900 -0.198 0.000 1.320 382 G CA -1.214 43.640 45.100 -0.410 0.000 0.891 382 G HN -0.028 nan 8.290 nan 0.000 0.573 383 P HA 0.430 nan 4.420 nan 0.000 0.267 383 P C 0.104 177.325 177.300 -0.132 0.000 1.209 383 P CA 0.460 63.506 63.100 -0.090 0.000 0.763 383 P CB 1.096 32.783 31.700 -0.021 0.000 0.816 384 V N 1.311 121.104 119.914 -0.201 0.000 3.040 384 V HA 0.728 4.848 4.120 -0.000 0.000 0.312 384 V C -1.652 174.366 176.094 -0.127 0.000 1.115 384 V CA -1.204 60.964 62.300 -0.220 0.000 0.998 384 V CB 2.373 33.956 31.823 -0.399 0.000 1.042 384 V HN 0.525 nan 8.190 nan 0.000 0.433 385 W N 3.243 124.456 121.300 -0.146 0.000 2.587 385 W HA 0.814 5.473 4.660 -0.000 0.000 0.324 385 W C -0.089 176.412 176.519 -0.029 0.000 1.040 385 W CA 0.076 57.408 57.345 -0.021 0.000 1.222 385 W CB 2.050 31.569 29.460 0.098 0.000 1.381 385 W HN 1.039 nan 8.180 nan 0.000 0.483 386 S N 3.536 118.831 115.700 -0.676 0.000 2.648 386 S HA 0.871 5.341 4.470 -0.000 0.000 0.305 386 S C -0.766 173.225 174.600 -1.016 0.000 1.094 386 S CA -0.786 57.050 58.200 -0.608 0.000 0.983 386 S CB 2.047 65.130 63.200 -0.195 0.000 1.101 386 S HN 0.562 nan 8.310 nan 0.000 0.514 387 T N 0.554 114.733 114.554 -0.625 0.000 2.982 387 T HA 0.606 4.956 4.350 -0.000 0.000 0.321 387 T C -0.477 174.029 174.700 -0.323 0.000 1.229 387 T CA -0.395 61.390 62.100 -0.525 0.000 1.044 387 T CB 1.325 69.864 68.868 -0.548 0.000 1.184 387 T HN 1.146 nan 8.240 nan 0.000 0.477 388 S N 2.796 118.347 115.700 -0.248 0.000 2.681 388 S HA 0.654 5.123 4.470 -0.000 0.000 0.270 388 S C -0.802 173.583 174.600 -0.359 0.000 1.209 388 S CA -0.428 57.663 58.200 -0.182 0.000 0.988 388 S CB 0.497 63.644 63.200 -0.088 0.000 1.006 388 S HN 0.822 nan 8.310 nan 0.000 0.558 389 H N 0.395 119.457 119.070 -0.013 0.000 2.800 389 H HA 0.414 4.969 4.556 -0.000 0.000 0.322 389 H C 0.421 175.732 175.328 -0.028 0.000 0.979 389 H CA -0.696 55.355 56.048 0.004 0.000 1.277 389 H CB 1.350 31.118 29.762 0.009 0.000 1.484 389 H HN 0.444 nan 8.280 nan 0.000 0.512 390 L N 2.748 123.991 121.223 0.034 0.000 2.021 390 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 390 L C 2.296 179.180 176.870 0.024 0.000 1.074 390 L CA 2.476 57.296 54.840 -0.033 0.000 0.760 390 L CB -0.711 41.340 42.059 -0.014 0.000 0.889 390 L HN 0.885 nan 8.230 nan 0.000 0.433 391 G N -0.958 107.879 108.800 0.061 0.000 2.446 391 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 391 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 391 G C 0.961 175.884 174.900 0.038 0.000 1.168 391 G CA 1.053 46.182 45.100 0.048 0.000 0.771 391 G HN 0.628 nan 8.290 nan 0.000 0.551 392 D N -2.075 118.352 120.400 0.046 0.000 2.469 392 D HA 0.273 4.913 4.640 -0.000 0.000 0.213 392 D C 1.549 177.874 176.300 0.041 0.000 1.135 392 D CA 0.466 54.486 54.000 0.034 0.000 0.834 392 D CB -0.403 40.408 40.800 0.018 0.000 1.009 392 D HN 0.517 nan 8.370 nan 0.000 0.507 393 G N 0.657 109.486 108.800 0.049 0.000 2.168 393 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 393 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 393 G C 0.447 175.388 174.900 0.068 0.000 0.997 393 G CA 0.690 45.814 45.100 0.040 0.000 0.708 393 G HN 0.874 nan 8.290 nan 0.000 0.520 394 S N -0.807 114.951 115.700 0.097 0.000 2.632 394 S HA 0.766 5.236 4.470 -0.000 0.000 0.267 394 S C 0.085 174.795 174.600 0.183 0.000 1.276 394 S CA -0.522 57.738 58.200 0.099 0.000 0.998 394 S CB 1.847 65.060 63.200 0.022 0.000 0.953 394 S HN 0.697 nan 8.310 nan 0.000 0.547 395 I N 1.457 122.092 120.570 0.109 0.000 2.478 395 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 395 I C -0.313 175.847 176.117 0.071 0.000 1.042 395 I CA -0.470 60.874 61.300 0.074 0.000 1.067 395 I CB 2.163 40.124 38.000 -0.066 0.000 1.233 395 I HN 0.551 nan 8.210 nan 0.000 0.431 396 S N 6.591 122.371 115.700 0.134 0.000 2.562 396 S HA 0.636 5.106 4.470 -0.000 0.000 0.275 396 S C -0.258 174.333 174.600 -0.014 0.000 1.281 396 S CA -0.534 57.725 58.200 0.099 0.000 1.045 396 S CB 0.873 64.218 63.200 0.242 0.000 0.962 396 S HN 0.326 nan 8.310 nan 0.000 0.503 397 L N 3.650 124.853 121.223 -0.034 0.000 2.346 397 L HA 0.662 5.002 4.340 -0.000 0.000 0.274 397 L C -0.740 176.090 176.870 -0.067 0.000 1.007 397 L CA -0.645 54.144 54.840 -0.085 0.000 0.818 397 L CB 1.264 43.253 42.059 -0.117 0.000 1.284 397 L HN 0.491 nan 8.230 nan 0.000 0.424 398 I N 1.015 121.584 120.570 -0.002 0.000 2.533 398 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 398 I C 0.487 176.606 176.117 0.002 0.000 1.056 398 I CA -0.609 60.728 61.300 0.061 0.000 1.057 398 I CB 2.216 40.379 38.000 0.272 0.000 1.240 398 I HN 0.648 nan 8.210 nan 0.000 0.423 399 G N 2.205 110.951 108.800 -0.090 0.000 2.365 399 G HA2 0.360 4.319 3.960 -0.000 0.000 0.249 399 G HA3 0.360 4.319 3.960 -0.000 0.000 0.249 399 G C 0.504 175.204 174.900 -0.333 0.000 1.288 399 G CA 0.027 45.021 45.100 -0.177 0.000 0.887 399 G HN 0.746 nan 8.290 nan 0.000 0.524 400 T N -1.112 113.256 114.554 -0.309 0.000 3.339 400 T HA 0.254 4.603 4.350 -0.000 0.000 0.292 400 T C -0.246 174.226 174.700 -0.379 0.000 1.012 400 T CA -0.449 61.397 62.100 -0.424 0.000 0.937 400 T CB 0.577 69.483 68.868 0.063 0.000 1.164 400 T HN 0.357 nan 8.240 nan 0.000 0.509 401 D N 2.226 122.397 120.400 -0.382 0.000 2.400 401 D HA 0.330 4.969 4.640 -0.000 0.000 0.272 401 D C -1.770 174.426 176.300 -0.173 0.000 1.220 401 D CA -2.235 51.677 54.000 -0.147 0.000 0.897 401 D CB 2.013 42.849 40.800 0.061 0.000 1.134 401 D HN 0.035 nan 8.370 nan 0.000 0.507 402 P HA -0.074 nan 4.420 nan 0.000 0.231 402 P C 1.293 178.565 177.300 -0.047 0.000 1.168 402 P CA 0.363 63.348 63.100 -0.192 0.000 0.779 402 P CB 0.745 32.361 31.700 -0.140 0.000 0.844 403 K N 0.330 120.734 120.400 0.007 0.000 2.025 403 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 403 K C 1.423 178.011 176.600 -0.019 0.000 1.049 403 K CA 1.210 57.511 56.287 0.023 0.000 0.933 403 K CB -0.027 32.508 32.500 0.057 0.000 0.714 403 K HN 0.038 nan 8.250 nan 0.000 0.438 404 N N -0.649 118.037 118.700 -0.023 0.000 2.171 404 N HA 0.021 4.761 4.740 -0.000 0.000 0.212 404 N C -0.471 174.823 175.510 -0.359 0.000 1.184 404 N CA 0.260 53.222 53.050 -0.147 0.000 0.888 404 N CB 0.901 39.312 38.487 -0.127 0.000 1.038 404 N HN 0.205 nan 8.380 nan 0.000 0.517 405 H N -0.239 118.793 119.070 -0.063 0.000 2.825 405 H HA 0.182 4.738 4.556 -0.000 0.000 0.226 405 H C -1.789 173.442 175.328 -0.161 0.000 1.414 405 H CA -0.882 55.120 56.048 -0.077 0.000 1.198 405 H CB 1.143 30.938 29.762 0.054 0.000 2.013 405 H HN 0.038 nan 8.280 nan 0.000 0.530 406 P HA -0.216 nan 4.420 nan 0.000 0.222 406 P C 1.287 178.489 177.300 -0.164 0.000 1.147 406 P CA 1.039 64.058 63.100 -0.136 0.000 0.790 406 P CB 0.542 32.184 31.700 -0.098 0.000 0.780 407 Q N -1.179 118.468 119.800 -0.256 0.000 2.435 407 Q HA -0.119 4.220 4.340 -0.000 0.000 0.207 407 Q C 0.822 176.637 176.000 -0.308 0.000 0.956 407 Q CA 1.332 56.932 55.803 -0.338 0.000 0.917 407 Q CB -0.723 27.714 28.738 -0.502 0.000 0.997 407 Q HN 0.304 nan 8.270 nan 0.000 0.497 408 Y N 0.312 120.586 120.300 -0.043 0.000 2.467 408 Y HA 0.494 5.044 4.550 -0.000 0.000 0.259 408 Y C 1.072 176.844 175.900 -0.213 0.000 1.084 408 Y CA -0.943 57.105 58.100 -0.087 0.000 1.275 408 Y CB -0.190 38.246 38.460 -0.039 0.000 1.208 408 Y HN 0.104 nan 8.280 nan 0.000 0.511 409 A N 0.290 122.980 122.820 -0.215 0.000 2.566 409 A HA 0.087 4.407 4.320 -0.000 0.000 0.245 409 A C -0.056 177.182 177.584 -0.578 0.000 1.056 409 A CA 0.189 51.801 52.037 -0.707 0.000 0.757 409 A CB -1.231 17.193 19.000 -0.961 0.000 0.979 409 A HN 0.696 nan 8.150 nan 0.000 0.508 410 W N 0.325 121.606 121.300 -0.033 0.000 4.949 410 W HA -0.197 4.462 4.660 -0.000 0.000 0.380 410 W C 0.158 176.674 176.519 -0.006 0.000 1.446 410 W CA 0.671 57.995 57.345 -0.036 0.000 0.869 410 W CB -1.675 27.751 29.460 -0.057 0.000 2.591 410 W HN 0.727 nan 8.180 nan 0.000 1.398 411 K N 0.292 120.769 120.400 0.128 0.000 2.502 411 K HA 0.373 4.693 4.320 -0.000 0.000 0.257 411 K C -0.395 176.216 176.600 0.018 0.000 0.938 411 K CA -1.407 54.926 56.287 0.077 0.000 0.819 411 K CB 2.134 34.668 32.500 0.056 0.000 1.333 411 K HN -0.072 nan 8.250 nan 0.000 0.434 412 K N 2.180 122.587 120.400 0.012 0.000 2.336 412 K HA 0.065 4.385 4.320 -0.000 0.000 0.290 412 K C 0.359 176.877 176.600 -0.138 0.000 1.067 412 K CA -0.053 56.215 56.287 -0.032 0.000 0.962 412 K CB 0.569 33.069 32.500 -0.001 0.000 1.008 412 K HN 0.404 nan 8.250 nan 0.000 0.467 413 V N 3.361 123.106 119.914 -0.282 0.000 3.052 413 V HA 0.149 4.268 4.120 -0.000 0.000 0.254 413 V C 0.263 175.933 176.094 -0.707 0.000 1.100 413 V CA 1.465 63.395 62.300 -0.617 0.000 1.112 413 V CB 0.155 31.410 31.823 -0.945 0.000 0.738 413 V HN 0.926 nan 8.190 nan 0.000 0.469 414 A N -0.830 121.753 122.820 -0.394 0.000 2.515 414 A HA 0.683 5.003 4.320 -0.000 0.000 0.292 414 A C -1.135 176.404 177.584 -0.074 0.000 1.065 414 A CA -0.511 51.403 52.037 -0.205 0.000 0.641 414 A CB 1.300 20.204 19.000 -0.159 0.000 1.306 414 A HN 0.098 nan 8.150 nan 0.000 0.441 415 E N 0.605 120.800 120.200 -0.009 0.000 2.287 415 E HA 0.561 4.910 4.350 -0.000 0.000 0.274 415 E C -1.552 175.065 176.600 0.028 0.000 0.896 415 E CA -0.414 55.990 56.400 0.006 0.000 0.788 415 E CB 1.249 30.946 29.700 -0.006 0.000 1.244 415 E HN 0.624 nan 8.360 nan 0.000 0.408 416 L N 2.140 123.361 121.223 -0.002 0.000 2.431 416 L HA 0.450 4.790 4.340 -0.000 0.000 0.260 416 L C 0.080 176.982 176.870 0.054 0.000 1.098 416 L CA -0.834 53.992 54.840 -0.023 0.000 0.800 416 L CB 1.111 42.988 42.059 -0.304 0.000 1.210 416 L HN 0.403 nan 8.230 nan 0.000 0.465 417 Q N 0.428 120.346 119.800 0.198 0.000 2.310 417 Q HA 0.442 4.782 4.340 -0.000 0.000 0.270 417 Q C -0.282 175.974 176.000 0.426 0.000 1.025 417 Q CA -0.278 55.678 55.803 0.255 0.000 0.772 417 Q CB 2.160 31.040 28.738 0.237 0.000 1.253 417 Q HN 0.803 nan 8.270 nan 0.000 0.450 418 G N 1.075 110.001 108.800 0.210 0.000 2.531 418 G HA2 0.149 4.109 3.960 -0.000 0.000 0.281 418 G HA3 0.149 4.109 3.960 -0.000 0.000 0.281 418 G C 0.521 175.275 174.900 -0.242 0.000 1.382 418 G CA -0.095 44.975 45.100 -0.049 0.000 1.045 418 G HN 0.608 nan 8.290 nan 0.000 0.533 419 Q N -0.757 118.779 119.800 -0.441 0.000 2.167 419 Q HA 0.213 4.553 4.340 -0.000 0.000 0.202 419 Q C 1.186 177.157 176.000 -0.048 0.000 0.970 419 Q CA 1.075 56.745 55.803 -0.223 0.000 0.855 419 Q CB 0.029 28.635 28.738 -0.220 0.000 0.911 419 Q HN 0.737 nan 8.270 nan 0.000 0.438 420 G N -1.006 107.767 108.800 -0.044 0.000 2.351 420 G HA2 0.245 4.205 3.960 -0.000 0.000 0.279 420 G HA3 0.245 4.205 3.960 -0.000 0.000 0.279 420 G C -0.528 174.371 174.900 -0.001 0.000 1.297 420 G CA -0.779 44.321 45.100 -0.001 0.000 0.886 420 G HN 0.265 nan 8.290 nan 0.000 0.493 421 G N -0.688 108.118 108.800 0.011 0.000 2.902 421 G HA2 0.455 4.415 3.960 -0.000 0.000 0.240 421 G HA3 0.455 4.415 3.960 -0.000 0.000 0.240 421 G C 1.474 176.379 174.900 0.009 0.000 1.244 421 G CA 1.455 46.565 45.100 0.016 0.000 0.862 421 G HN 2.383 nan 8.290 nan 0.000 0.603 422 G N -1.082 107.723 108.800 0.009 0.000 2.357 422 G HA2 0.041 4.001 3.960 -0.000 0.000 0.282 422 G HA3 0.041 4.001 3.960 -0.000 0.000 0.282 422 G C 0.508 175.367 174.900 -0.069 0.000 0.910 422 G CA 1.006 46.106 45.100 0.000 0.000 1.267 422 G HN 1.634 nan 8.290 nan 0.000 0.476 423 S N -0.479 115.131 115.700 -0.151 0.000 2.541 423 S HA 0.665 5.135 4.470 -0.000 0.000 0.283 423 S C 1.073 175.462 174.600 -0.352 0.000 1.196 423 S CA -0.891 57.210 58.200 -0.165 0.000 1.062 423 S CB 1.396 64.539 63.200 -0.096 0.000 1.009 423 S HN 0.322 nan 8.310 nan 0.000 0.502 424 L N 2.937 123.980 121.223 -0.299 0.000 2.537 424 L HA 0.574 4.914 4.340 -0.000 0.000 0.224 424 L C -0.616 175.860 176.870 -0.658 0.000 1.065 424 L CA 0.705 55.251 54.840 -0.490 0.000 0.860 424 L CB -0.170 41.601 42.059 -0.480 0.000 1.086 424 L HN 0.645 nan 8.230 nan 0.000 0.482 425 F N -0.180 119.781 119.950 0.018 0.000 2.588 425 F HA 0.618 5.145 4.527 -0.000 0.000 0.310 425 F C -0.273 175.570 175.800 0.072 0.000 1.082 425 F CA -1.369 56.662 58.000 0.051 0.000 0.929 425 F CB 1.825 40.842 39.000 0.029 0.000 1.254 425 F HN -0.252 nan 8.300 nan 0.000 0.455 426 I N 0.348 121.089 120.570 0.285 0.000 2.686 426 I HA 0.879 5.049 4.170 -0.000 0.000 0.295 426 I C -1.447 174.837 176.117 0.277 0.000 1.114 426 I CA -0.977 60.466 61.300 0.237 0.000 1.038 426 I CB 2.414 40.494 38.000 0.133 0.000 1.238 426 I HN 0.473 nan 8.210 nan 0.000 0.420 427 K N 2.750 123.357 120.400 0.345 0.000 2.542 427 K HA 0.716 5.036 4.320 -0.000 0.000 0.259 427 K C -1.182 175.766 176.600 0.581 0.000 0.932 427 K CA -0.274 56.266 56.287 0.421 0.000 0.820 427 K CB 2.463 35.197 32.500 0.389 0.000 1.345 427 K HN 0.931 nan 8.250 nan 0.000 0.432 428 T N 0.771 115.634 114.554 0.515 0.000 2.669 428 T HA 0.561 4.910 4.350 -0.000 0.000 0.283 428 T C -1.955 172.793 174.700 0.080 0.000 1.019 428 T CA -0.354 62.011 62.100 0.443 0.000 1.039 428 T CB 0.789 69.846 68.868 0.315 0.000 1.374 428 T HN 0.568 nan 8.240 nan 0.000 0.523 429 H N -0.219 118.725 119.070 -0.209 0.000 3.079 429 H HA 0.336 4.891 4.556 -0.000 0.000 0.356 429 H C -2.474 172.783 175.328 -0.118 0.000 1.221 429 H CA -1.250 54.576 56.048 -0.370 0.000 1.185 429 H CB 2.275 31.408 29.762 -1.048 0.000 1.882 429 H HN 0.333 nan 8.280 nan 0.000 0.543 430 P HA -0.119 nan 4.420 nan 0.000 0.216 430 P C 0.877 178.277 177.300 0.167 0.000 1.150 430 P CA 1.292 64.417 63.100 0.042 0.000 0.843 430 P CB 0.434 32.087 31.700 -0.078 0.000 0.787 431 K N -0.999 119.629 120.400 0.380 0.000 2.444 431 K HA 0.173 4.493 4.320 -0.000 0.000 0.193 431 K C 0.860 177.520 176.600 0.100 0.000 1.024 431 K CA 0.282 56.677 56.287 0.180 0.000 1.077 431 K CB 0.045 32.617 32.500 0.119 0.000 0.833 431 K HN 0.087 nan 8.250 nan 0.000 0.517 432 S N 0.396 116.171 115.700 0.126 0.000 2.621 432 S HA 0.253 4.723 4.470 -0.000 0.000 0.302 432 S C 0.692 175.311 174.600 0.032 0.000 1.093 432 S CA -0.607 57.662 58.200 0.116 0.000 1.017 432 S CB 1.385 64.761 63.200 0.293 0.000 1.077 432 S HN 0.203 nan 8.310 nan 0.000 0.517 433 S N 1.586 117.207 115.700 -0.132 0.000 2.568 433 S HA 0.355 4.825 4.470 -0.000 0.000 0.232 433 S C -0.141 174.256 174.600 -0.339 0.000 0.975 433 S CA -0.358 57.691 58.200 -0.251 0.000 0.949 433 S CB -0.476 62.532 63.200 -0.318 0.000 0.829 433 S HN 0.785 nan 8.310 nan 0.000 0.479 434 H N 0.360 119.468 119.070 0.063 0.000 2.621 434 H HA 0.692 5.248 4.556 -0.000 0.000 0.360 434 H C -1.191 174.133 175.328 -0.006 0.000 1.163 434 H CA -1.047 54.966 56.048 -0.058 0.000 1.194 434 H CB 1.810 31.433 29.762 -0.231 0.000 1.649 434 H HN 0.182 nan 8.280 nan 0.000 0.532 435 L N 2.891 124.144 121.223 0.049 0.000 2.345 435 L HA 0.349 4.689 4.340 -0.000 0.000 0.274 435 L C -1.769 175.202 176.870 0.168 0.000 0.999 435 L CA -0.490 54.432 54.840 0.137 0.000 0.849 435 L CB -0.025 42.031 42.059 -0.006 0.000 1.220 435 L HN 0.502 nan 8.230 nan 0.000 0.422 436 Y N 4.211 124.698 120.300 0.311 0.000 2.308 436 Y HA 0.592 5.141 4.550 -0.000 0.000 0.329 436 Y C 0.176 176.235 175.900 0.265 0.000 1.111 436 Y CA -0.430 57.839 58.100 0.281 0.000 1.179 436 Y CB 1.765 40.392 38.460 0.280 0.000 1.201 436 Y HN 0.452 nan 8.280 nan 0.000 0.483 437 V N 3.776 123.910 119.914 0.367 0.000 2.569 437 V HA 0.492 4.612 4.120 -0.000 0.000 0.301 437 V C -0.936 175.266 176.094 0.181 0.000 1.044 437 V CA -0.793 61.663 62.300 0.261 0.000 0.874 437 V CB 1.065 33.025 31.823 0.229 0.000 1.002 437 V HN 0.837 nan 8.190 nan 0.000 0.424 438 D N 4.346 124.855 120.400 0.182 0.000 2.414 438 D HA 0.524 5.164 4.640 -0.000 0.000 0.259 438 D C 0.412 176.733 176.300 0.036 0.000 1.269 438 D CA 0.402 54.474 54.000 0.120 0.000 1.028 438 D CB 1.062 41.967 40.800 0.174 0.000 1.093 438 D HN 0.783 nan 8.370 nan 0.000 0.545 439 T N -4.715 109.846 114.554 0.013 0.000 4.047 439 T HA 0.194 4.544 4.350 -0.000 0.000 0.286 439 T C 0.828 175.535 174.700 0.012 0.000 0.945 439 T CA -0.464 61.629 62.100 -0.011 0.000 1.079 439 T CB -0.659 68.193 68.868 -0.027 0.000 1.094 439 T HN 0.327 nan 8.240 nan 0.000 0.492 440 T N 1.346 115.895 114.554 -0.008 0.000 2.620 440 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 440 T C 0.948 175.741 174.700 0.155 0.000 1.044 440 T CA 1.540 63.642 62.100 0.005 0.000 1.161 440 T CB -0.534 68.239 68.868 -0.159 0.000 0.862 440 T HN 0.640 nan 8.240 nan 0.000 0.438 441 F N 1.360 121.332 119.950 0.037 0.000 2.664 441 F HA 0.228 4.755 4.527 -0.000 0.000 0.301 441 F C 1.249 177.043 175.800 -0.010 0.000 1.126 441 F CA -0.969 57.037 58.000 0.009 0.000 1.373 441 F CB -0.015 38.990 39.000 0.008 0.000 1.042 441 F HN 0.120 nan 8.300 nan 0.000 0.535 442 N N 2.232 121.026 118.700 0.156 0.000 2.492 442 N HA 0.003 4.743 4.740 -0.000 0.000 0.260 442 N C -1.820 173.725 175.510 0.059 0.000 1.215 442 N CA -0.981 52.115 53.050 0.078 0.000 0.923 442 N CB 1.479 39.988 38.487 0.037 0.000 1.092 442 N HN -0.059 nan 8.380 nan 0.000 0.448 443 P HA -0.071 nan 4.420 nan 0.000 0.218 443 P C -0.158 177.144 177.300 0.005 0.000 1.149 443 P CA 0.999 64.105 63.100 0.010 0.000 0.817 443 P CB 0.107 31.809 31.700 0.003 0.000 0.785 444 D N -0.396 120.008 120.400 0.007 0.000 2.338 444 D HA 0.116 4.756 4.640 -0.000 0.000 0.255 444 D C 1.172 177.471 176.300 -0.001 0.000 1.237 444 D CA -0.017 53.983 54.000 -0.001 0.000 0.883 444 D CB 1.165 41.964 40.800 -0.002 0.000 1.087 444 D HN -0.064 nan 8.370 nan 0.000 0.485 445 A N 5.420 128.237 122.820 -0.005 0.000 1.917 445 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 445 A C 2.159 179.735 177.584 -0.014 0.000 1.182 445 A CA 1.749 53.782 52.037 -0.007 0.000 0.633 445 A CB -0.357 18.635 19.000 -0.013 0.000 0.819 445 A HN 0.759 nan 8.150 nan 0.000 0.448 446 R N -0.141 120.347 120.500 -0.021 0.000 2.083 446 R HA -0.123 4.216 4.340 -0.000 0.000 0.237 446 R C 1.926 178.201 176.300 -0.042 0.000 1.137 446 R CA 2.102 58.182 56.100 -0.034 0.000 0.951 446 R CB -0.472 29.809 30.300 -0.032 0.000 0.851 446 R HN 0.530 nan 8.270 nan 0.000 0.434 447 I N 1.265 121.817 120.570 -0.031 0.000 2.315 447 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 447 I C 2.356 178.452 176.117 -0.033 0.000 1.117 447 I CA 1.460 62.738 61.300 -0.038 0.000 1.404 447 I CB -0.349 37.636 38.000 -0.026 0.000 1.071 447 I HN 0.369 nan 8.210 nan 0.000 0.419 448 S N 0.185 115.881 115.700 -0.006 0.000 2.507 448 S HA -0.166 4.303 4.470 -0.000 0.000 0.235 448 S C 1.545 176.150 174.600 0.008 0.000 0.988 448 S CA 0.742 58.954 58.200 0.021 0.000 0.944 448 S CB -0.332 62.904 63.200 0.061 0.000 0.762 448 S HN 0.553 nan 8.310 nan 0.000 0.526 449 Q N 1.287 121.070 119.800 -0.029 0.000 2.204 449 Q HA 0.292 4.632 4.340 -0.000 0.000 0.209 449 Q C 0.200 176.125 176.000 -0.125 0.000 0.861 449 Q CA -0.087 55.683 55.803 -0.054 0.000 0.971 449 Q CB 0.684 29.390 28.738 -0.053 0.000 1.095 449 Q HN 0.744 nan 8.270 nan 0.000 0.486 450 S N -1.096 114.526 115.700 -0.131 0.000 2.732 450 S HA 0.804 5.274 4.470 -0.000 0.000 0.293 450 S C -0.513 173.980 174.600 -0.178 0.000 1.159 450 S CA -0.778 57.299 58.200 -0.205 0.000 0.847 450 S CB 1.788 64.871 63.200 -0.194 0.000 1.169 450 S HN 0.077 nan 8.310 nan 0.000 0.501 451 V N -2.533 117.253 119.914 -0.214 0.000 3.078 451 V HA 0.994 5.114 4.120 -0.000 0.000 0.311 451 V C -0.308 175.717 176.094 -0.114 0.000 1.138 451 V CA -0.877 61.352 62.300 -0.118 0.000 1.007 451 V CB 1.062 32.837 31.823 -0.080 0.000 1.045 451 V HN 1.577 nan 8.190 nan 0.000 0.432 452 A N 2.260 125.027 122.820 -0.089 0.000 2.305 452 A HA 0.874 5.194 4.320 -0.000 0.000 0.322 452 A C -0.558 176.950 177.584 -0.126 0.000 1.187 452 A CA -0.674 51.242 52.037 -0.203 0.000 0.825 452 A CB 1.425 20.153 19.000 -0.452 0.000 1.164 452 A HN 1.484 nan 8.150 nan 0.000 0.498 453 V N 2.763 122.524 119.914 -0.254 0.000 2.407 453 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 453 V C -1.053 174.838 176.094 -0.338 0.000 1.018 453 V CA -0.227 61.873 62.300 -0.333 0.000 0.842 453 V CB 0.703 32.263 31.823 -0.438 0.000 0.996 453 V HN 0.720 nan 8.190 nan 0.000 0.426 454 F N 2.149 122.031 119.950 -0.114 0.000 2.404 454 F HA 0.412 4.939 4.527 -0.000 0.000 0.339 454 F C 0.503 176.286 175.800 -0.028 0.000 1.105 454 F CA -0.580 57.395 58.000 -0.043 0.000 1.087 454 F CB 1.317 40.287 39.000 -0.050 0.000 1.143 454 F HN 0.502 nan 8.300 nan 0.000 0.491 455 D N 3.570 124.070 120.400 0.167 0.000 2.365 455 D HA 0.208 4.847 4.640 -0.000 0.000 0.237 455 D C 0.856 177.167 176.300 0.019 0.000 1.190 455 D CA 0.007 54.084 54.000 0.128 0.000 0.867 455 D CB 0.630 41.486 40.800 0.093 0.000 1.050 455 D HN 0.512 nan 8.370 nan 0.000 0.491 456 L N 3.052 124.226 121.223 -0.083 0.000 2.353 456 L HA -0.090 4.250 4.340 -0.000 0.000 0.220 456 L C 2.012 178.804 176.870 -0.130 0.000 1.133 456 L CA 0.811 55.527 54.840 -0.206 0.000 0.798 456 L CB -0.204 41.666 42.059 -0.314 0.000 0.922 456 L HN 0.424 nan 8.230 nan 0.000 0.445 457 K N -0.307 120.048 120.400 -0.074 0.000 2.243 457 K HA -0.024 4.295 4.320 -0.000 0.000 0.201 457 K C 0.575 177.155 176.600 -0.032 0.000 1.051 457 K CA 0.420 56.679 56.287 -0.047 0.000 0.970 457 K CB 0.134 32.614 32.500 -0.032 0.000 0.755 457 K HN 0.061 nan 8.250 nan 0.000 0.465 458 N N 0.679 119.368 118.700 -0.018 0.000 2.727 458 N HA 0.137 4.877 4.740 -0.000 0.000 0.252 458 N C -0.207 175.319 175.510 0.026 0.000 1.283 458 N CA -0.092 52.959 53.050 0.003 0.000 0.782 458 N CB 0.524 39.018 38.487 0.012 0.000 1.199 458 N HN -0.066 nan 8.380 nan 0.000 0.520 459 L N 0.276 121.507 121.223 0.013 0.000 2.554 459 L HA 0.135 4.475 4.340 -0.000 0.000 0.226 459 L C 0.600 177.538 176.870 0.113 0.000 1.137 459 L CA 0.445 55.324 54.840 0.066 0.000 0.863 459 L CB 0.164 42.227 42.059 0.008 0.000 0.985 459 L HN 0.318 nan 8.230 nan 0.000 0.451 460 D N 0.612 121.062 120.400 0.082 0.000 2.355 460 D HA 0.090 4.730 4.640 -0.000 0.000 0.218 460 D C 1.014 177.352 176.300 0.064 0.000 1.004 460 D CA 0.262 54.310 54.000 0.080 0.000 0.880 460 D CB 0.329 41.165 40.800 0.061 0.000 0.911 460 D HN 0.236 nan 8.370 nan 0.000 0.528 461 A N 0.674 123.530 122.820 0.059 0.000 2.286 461 A HA 0.320 4.640 4.320 -0.000 0.000 0.286 461 A C 0.465 178.055 177.584 0.011 0.000 1.097 461 A CA -0.487 51.561 52.037 0.018 0.000 0.821 461 A CB 1.187 20.187 19.000 0.001 0.000 1.076 461 A HN -0.079 nan 8.150 nan 0.000 0.490 462 K N 0.581 120.919 120.400 -0.104 0.000 2.185 462 K HA 0.353 4.673 4.320 -0.000 0.000 0.271 462 K C -0.538 175.816 176.600 -0.410 0.000 1.013 462 K CA -0.359 55.761 56.287 -0.279 0.000 0.943 462 K CB 0.289 32.544 32.500 -0.408 0.000 0.998 462 K HN 0.657 nan 8.250 nan 0.000 0.468 463 Y N 0.530 120.609 120.300 -0.368 0.000 2.469 463 Y HA 0.028 4.578 4.550 -0.000 0.000 0.353 463 Y C -0.034 175.638 175.900 -0.379 0.000 1.269 463 Y CA -0.407 57.279 58.100 -0.690 0.000 1.504 463 Y CB 0.139 37.887 38.460 -1.186 0.000 1.369 463 Y HN 0.423 nan 8.280 nan 0.000 0.654 464 Q N 0.615 120.316 119.800 -0.165 0.000 2.274 464 Q HA 0.598 4.938 4.340 -0.000 0.000 0.260 464 Q C -1.404 174.577 176.000 -0.031 0.000 0.974 464 Q CA -1.206 54.529 55.803 -0.113 0.000 0.876 464 Q CB 2.610 31.269 28.738 -0.132 0.000 1.297 464 Q HN 0.618 nan 8.270 nan 0.000 0.446 465 V N 3.642 123.537 119.914 -0.032 0.000 2.333 465 V HA 0.209 4.329 4.120 -0.000 0.000 0.274 465 V C -0.622 175.362 176.094 -0.183 0.000 1.028 465 V CA -0.564 61.693 62.300 -0.071 0.000 0.851 465 V CB 0.863 32.666 31.823 -0.033 0.000 1.000 465 V HN 0.542 nan 8.190 nan 0.000 0.456 466 L N 8.972 130.036 121.223 -0.264 0.000 2.264 466 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 466 L C -1.716 174.748 176.870 -0.677 0.000 1.044 466 L CA -1.684 52.863 54.840 -0.489 0.000 0.807 466 L CB 1.534 43.346 42.059 -0.413 0.000 1.192 466 L HN 0.418 nan 8.230 nan 0.000 0.425 467 P HA 0.039 nan 4.420 nan 0.000 0.226 467 P C 1.126 177.859 177.300 -0.945 0.000 1.783 467 P CA -0.176 62.437 63.100 -0.811 0.000 0.980 467 P CB 0.074 31.342 31.700 -0.720 0.000 1.967 468 I N 1.363 121.495 120.570 -0.730 0.000 2.113 468 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 468 I C 2.384 178.369 176.117 -0.219 0.000 1.064 468 I CA 1.949 62.965 61.300 -0.473 0.000 1.320 468 I CB -2.033 35.665 38.000 -0.504 0.000 1.028 468 I HN 0.149 nan 8.210 nan 0.000 0.406 469 A N 0.017 122.726 122.820 -0.186 0.000 1.902 469 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 469 A C 2.379 179.935 177.584 -0.046 0.000 1.181 469 A CA 1.841 53.832 52.037 -0.077 0.000 0.623 469 A CB -0.744 18.221 19.000 -0.060 0.000 0.818 469 A HN 0.545 nan 8.150 nan 0.000 0.443 470 E N -1.302 118.834 120.200 -0.106 0.000 2.153 470 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 470 E C 1.605 178.275 176.600 0.117 0.000 0.988 470 E CA 1.132 57.511 56.400 -0.036 0.000 0.811 470 E CB -0.148 29.487 29.700 -0.108 0.000 0.746 470 E HN 0.797 nan 8.360 nan 0.000 0.466 471 W N 0.336 121.593 121.300 -0.071 0.000 2.425 471 W HA 0.044 4.704 4.660 -0.000 0.000 0.277 471 W C 2.136 178.613 176.519 -0.069 0.000 1.231 471 W CA 0.774 58.074 57.345 -0.075 0.000 1.248 471 W CB -0.977 28.425 29.460 -0.098 0.000 1.117 471 W HN 0.188 nan 8.180 nan 0.000 0.568 472 A N -0.254 122.646 122.820 0.134 0.000 1.824 472 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 472 A C -0.078 177.534 177.584 0.047 0.000 1.244 472 A CA 1.882 53.955 52.037 0.061 0.000 0.604 472 A CB -0.478 18.545 19.000 0.038 0.000 0.900 472 A HN 0.051 nan 8.150 nan 0.000 0.455 473 D N -3.006 117.420 120.400 0.043 0.000 3.013 473 D HA 0.106 4.746 4.640 -0.000 0.000 0.115 473 D C -0.444 175.871 176.300 0.026 0.000 0.864 473 D CA -0.040 53.980 54.000 0.034 0.000 1.750 473 D CB -0.862 39.952 40.800 0.022 0.000 2.537 473 D HN 0.128 nan 8.370 nan 0.000 0.873 474 L N 1.726 122.963 121.223 0.023 0.000 3.066 474 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 474 L C 1.938 178.818 176.870 0.016 0.000 1.101 474 L CA 0.178 55.031 54.840 0.022 0.000 1.022 474 L CB 0.276 42.353 42.059 0.030 0.000 1.600 474 L HN 0.585 nan 8.230 nan 0.000 0.559 475 G N 1.195 110.002 108.800 0.013 0.000 2.269 475 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.277 475 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.277 475 G C 0.393 175.296 174.900 0.005 0.000 1.008 475 G CA 1.322 46.426 45.100 0.007 0.000 0.774 475 G HN 0.462 nan 8.290 nan 0.000 0.511 476 E N -0.685 119.519 120.200 0.007 0.000 3.651 476 E HA 0.520 4.869 4.350 -0.000 0.000 0.355 476 E C 2.020 178.620 176.600 -0.001 0.000 0.603 476 E CA -0.265 56.137 56.400 0.004 0.000 1.746 476 E CB -0.231 29.474 29.700 0.009 0.000 2.323 476 E HN 0.332 nan 8.360 nan 0.000 0.497 477 G N -0.023 108.776 108.800 -0.001 0.000 2.466 477 G HA2 0.118 4.078 3.960 -0.000 0.000 0.279 477 G HA3 0.118 4.078 3.960 -0.000 0.000 0.279 477 G C 0.858 175.750 174.900 -0.013 0.000 1.410 477 G CA 0.332 45.425 45.100 -0.012 0.000 1.065 477 G HN 0.400 nan 8.290 nan 0.000 0.547 478 A N -1.148 121.654 122.820 -0.029 0.000 2.024 478 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 478 A C 1.516 179.101 177.584 0.002 0.000 1.164 478 A CA 1.949 53.970 52.037 -0.027 0.000 0.643 478 A CB -0.605 18.358 19.000 -0.061 0.000 0.806 478 A HN 0.753 nan 8.150 nan 0.000 0.451 479 K N -0.468 119.944 120.400 0.021 0.000 3.177 479 K HA -0.177 4.142 4.320 -0.000 0.000 0.266 479 K C -0.713 175.946 176.600 0.098 0.000 0.937 479 K CA 0.449 56.774 56.287 0.063 0.000 0.702 479 K CB -1.057 31.465 32.500 0.037 0.000 1.365 479 K HN 0.500 nan 8.250 nan 0.000 0.466 480 R N 0.252 120.831 120.500 0.132 0.000 2.583 480 R HA 0.017 4.357 4.340 -0.000 0.000 0.274 480 R C 0.352 176.813 176.300 0.269 0.000 0.998 480 R CA 0.182 56.405 56.100 0.206 0.000 1.081 480 R CB 0.232 30.690 30.300 0.263 0.000 0.940 480 R HN 0.016 nan 8.270 nan 0.000 0.413 481 V N 3.718 123.743 119.914 0.185 0.000 2.417 481 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 481 V C 0.040 176.240 176.094 0.177 0.000 1.024 481 V CA -0.657 61.732 62.300 0.148 0.000 0.861 481 V CB 1.810 33.655 31.823 0.036 0.000 0.985 481 V HN 0.502 nan 8.190 nan 0.000 0.436 482 V N 4.784 124.804 119.914 0.177 0.000 2.971 482 V HA 0.594 4.714 4.120 -0.000 0.000 0.309 482 V C -0.538 175.600 176.094 0.074 0.000 1.130 482 V CA -0.330 62.062 62.300 0.155 0.000 0.964 482 V CB 1.858 33.751 31.823 0.115 0.000 1.029 482 V HN 1.036 nan 8.190 nan 0.000 0.427 483 Q N 3.770 123.606 119.800 0.061 0.000 2.630 483 Q HA -0.116 4.224 4.340 -0.000 0.000 0.210 483 Q C -2.621 173.220 176.000 -0.264 0.000 1.400 483 Q CA 0.345 55.979 55.803 -0.282 0.000 0.668 483 Q CB -0.194 28.030 28.738 -0.856 0.000 0.781 483 Q HN 0.596 nan 8.270 nan 0.000 0.311 484 P HA 0.233 nan 4.420 nan 0.000 0.282 484 P C -1.011 176.068 177.300 -0.367 0.000 1.262 484 P CA 0.118 62.901 63.100 -0.529 0.000 0.773 484 P CB 1.092 32.656 31.700 -0.228 0.000 0.879 485 E N 2.898 122.850 120.200 -0.412 0.000 2.278 485 E HA 0.338 4.688 4.350 -0.000 0.000 0.272 485 E C -1.297 175.285 176.600 -0.029 0.000 0.890 485 E CA -0.650 55.682 56.400 -0.114 0.000 0.770 485 E CB 0.526 30.173 29.700 -0.088 0.000 1.212 485 E HN 0.199 nan 8.360 nan 0.000 0.415 486 Y N 2.280 122.595 120.300 0.024 0.000 2.260 486 Y HA 0.263 4.812 4.550 -0.000 0.000 0.339 486 Y C 1.257 177.212 175.900 0.092 0.000 1.317 486 Y CA -0.023 58.123 58.100 0.078 0.000 1.514 486 Y CB 0.496 39.044 38.460 0.146 0.000 1.382 486 Y HN 0.651 nan 8.280 nan 0.000 0.581 487 N N -0.088 118.784 118.700 0.286 0.000 2.604 487 N HA 0.130 4.870 4.740 -0.000 0.000 0.297 487 N C 0.696 176.251 175.510 0.076 0.000 1.266 487 N CA -0.661 52.475 53.050 0.143 0.000 0.961 487 N CB 0.517 39.145 38.487 0.236 0.000 1.166 487 N HN 0.414 nan 8.380 nan 0.000 0.601 488 K N 0.384 120.777 120.400 -0.011 0.000 2.074 488 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 488 K C 1.598 178.152 176.600 -0.077 0.000 1.048 488 K CA 1.368 57.613 56.287 -0.070 0.000 0.926 488 K CB -0.121 32.282 32.500 -0.161 0.000 0.713 488 K HN 0.565 nan 8.250 nan 0.000 0.444 489 R N -1.524 118.951 120.500 -0.042 0.000 2.057 489 R HA -0.042 4.297 4.340 -0.000 0.000 0.229 489 R C 1.384 177.614 176.300 -0.117 0.000 1.136 489 R CA 1.162 57.231 56.100 -0.052 0.000 0.952 489 R CB -0.112 30.180 30.300 -0.013 0.000 0.848 489 R HN 0.454 nan 8.270 nan 0.000 0.430 490 G N 1.488 110.197 108.800 -0.151 0.000 2.145 490 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.145 490 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.145 490 G C -0.083 174.811 174.900 -0.010 0.000 1.017 490 G CA 0.335 45.183 45.100 -0.420 0.000 0.682 490 G HN 0.512 nan 8.290 nan 0.000 0.504 491 D N -0.387 120.063 120.400 0.083 0.000 2.417 491 D HA 0.218 4.857 4.640 -0.000 0.000 0.207 491 D C 0.649 177.042 176.300 0.155 0.000 1.075 491 D CA 0.322 54.398 54.000 0.127 0.000 0.851 491 D CB 0.392 41.243 40.800 0.086 0.000 0.976 491 D HN 0.516 nan 8.370 nan 0.000 0.505 492 E N -0.070 120.236 120.200 0.178 0.000 2.227 492 E HA 0.600 4.950 4.350 -0.000 0.000 0.268 492 E C -1.199 175.451 176.600 0.082 0.000 0.907 492 E CA -1.136 55.374 56.400 0.183 0.000 0.786 492 E CB 3.135 33.046 29.700 0.352 0.000 1.191 492 E HN -0.178 nan 8.360 nan 0.000 0.411 493 V N 2.436 122.320 119.914 -0.051 0.000 2.482 493 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 493 V C -1.214 174.732 176.094 -0.248 0.000 1.026 493 V CA -0.935 61.102 62.300 -0.437 0.000 0.856 493 V CB 0.674 31.871 31.823 -1.043 0.000 1.001 493 V HN 0.605 nan 8.190 nan 0.000 0.424 494 W N 4.196 125.103 121.300 -0.655 0.000 2.512 494 W HA 0.834 5.494 4.660 -0.000 0.000 0.335 494 W C -0.591 175.440 176.519 -0.812 0.000 1.088 494 W CA -1.127 55.895 57.345 -0.538 0.000 1.236 494 W CB 0.934 30.087 29.460 -0.511 0.000 1.307 494 W HN 0.346 nan 8.180 nan 0.000 0.567 495 F N 0.497 120.444 119.950 -0.005 0.000 2.599 495 F HA 0.500 5.027 4.527 -0.000 0.000 0.311 495 F C 0.216 175.991 175.800 -0.042 0.000 1.076 495 F CA -1.216 56.757 58.000 -0.045 0.000 0.937 495 F CB 1.535 40.504 39.000 -0.053 0.000 1.282 495 F HN -0.029 nan 8.300 nan 0.000 0.460 496 S N 0.870 116.647 115.700 0.127 0.000 2.578 496 S HA 0.672 5.142 4.470 -0.000 0.000 0.283 496 S C -0.724 173.936 174.600 0.099 0.000 1.195 496 S CA -0.714 57.517 58.200 0.052 0.000 1.050 496 S CB 1.726 64.889 63.200 -0.062 0.000 1.012 496 S HN 0.344 nan 8.310 nan 0.000 0.511 497 V N 3.660 123.631 119.914 0.096 0.000 2.289 497 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 497 V C -0.213 176.004 176.094 0.204 0.000 1.026 497 V CA -0.839 61.541 62.300 0.134 0.000 0.807 497 V CB 0.138 32.014 31.823 0.088 0.000 1.044 497 V HN 0.844 nan 8.190 nan 0.000 0.443 498 W N 4.059 125.391 121.300 0.052 0.000 2.073 498 W HA 0.220 4.880 4.660 -0.000 0.000 0.358 498 W C 0.604 177.152 176.519 0.049 0.000 1.321 498 W CA 0.458 57.839 57.345 0.060 0.000 1.317 498 W CB 0.334 29.841 29.460 0.079 0.000 1.226 498 W HN 0.591 nan 8.180 nan 0.000 0.622 499 N N 0.092 119.035 118.700 0.406 0.000 7.125 499 N HA 0.054 4.794 4.740 -0.000 0.000 0.098 499 N C -0.358 175.278 175.510 0.209 0.000 0.914 499 N CA 0.351 53.497 53.050 0.160 0.000 1.248 499 N CB -0.291 38.269 38.487 0.122 0.000 1.306 499 N HN 0.568 nan 8.380 nan 0.000 1.287 500 G N 1.886 110.735 108.800 0.081 0.000 2.794 500 G HA2 0.005 3.964 3.960 -0.000 0.000 0.249 500 G HA3 0.005 3.964 3.960 -0.000 0.000 0.249 500 G C 1.137 176.110 174.900 0.121 0.000 1.236 500 G CA 0.474 45.641 45.100 0.112 0.000 0.880 500 G HN 0.791 nan 8.290 nan 0.000 0.586 501 K N -0.132 120.340 120.400 0.119 0.000 2.008 501 K HA -0.300 4.020 4.320 -0.000 0.000 0.233 501 K C 1.949 178.591 176.600 0.070 0.000 0.945 501 K CA 2.375 58.717 56.287 0.092 0.000 1.024 501 K CB -0.344 32.197 32.500 0.068 0.000 0.687 501 K HN 0.570 nan 8.250 nan 0.000 0.545 502 N N 1.351 120.080 118.700 0.049 0.000 2.609 502 N HA -0.070 4.670 4.740 -0.000 0.000 0.190 502 N C 0.095 175.627 175.510 0.036 0.000 1.157 502 N CA 0.663 53.736 53.050 0.037 0.000 0.918 502 N CB -0.143 38.359 38.487 0.025 0.000 0.978 502 N HN 0.333 nan 8.380 nan 0.000 0.448 503 D N -0.004 120.422 120.400 0.044 0.000 2.511 503 D HA 0.125 4.765 4.640 -0.000 0.000 0.276 503 D C -0.192 176.140 176.300 0.053 0.000 1.220 503 D CA -0.070 53.954 54.000 0.041 0.000 1.077 503 D CB 1.098 41.921 40.800 0.038 0.000 1.126 503 D HN -0.161 nan 8.370 nan 0.000 0.583 504 S N -0.650 115.081 115.700 0.051 0.000 2.454 504 S HA 0.458 4.927 4.470 -0.000 0.000 0.306 504 S C -0.664 173.977 174.600 0.069 0.000 1.100 504 S CA -0.496 57.736 58.200 0.053 0.000 1.087 504 S CB 0.842 64.065 63.200 0.038 0.000 1.019 504 S HN 0.320 nan 8.310 nan 0.000 0.480 505 S N 2.162 117.907 115.700 0.075 0.000 2.704 505 S HA 1.000 5.470 4.470 -0.000 0.000 0.305 505 S C -0.483 174.151 174.600 0.057 0.000 1.107 505 S CA -0.559 57.693 58.200 0.086 0.000 0.993 505 S CB 1.652 64.918 63.200 0.109 0.000 1.110 505 S HN 1.109 nan 8.310 nan 0.000 0.534 506 A N 0.616 123.467 122.820 0.053 0.000 2.581 506 A HA 0.778 5.098 4.320 -0.000 0.000 0.290 506 A C -2.171 175.422 177.584 0.015 0.000 1.119 506 A CA -0.707 51.344 52.037 0.023 0.000 0.670 506 A CB 0.820 19.829 19.000 0.014 0.000 1.280 506 A HN 0.641 nan 8.150 nan 0.000 0.425 507 L N 0.864 122.070 121.223 -0.028 0.000 2.381 507 L HA 0.601 4.941 4.340 -0.000 0.000 0.274 507 L C -1.007 175.783 176.870 -0.134 0.000 0.988 507 L CA -0.972 53.836 54.840 -0.053 0.000 0.824 507 L CB 1.824 43.842 42.059 -0.069 0.000 1.263 507 L HN 0.457 nan 8.230 nan 0.000 0.410 508 V N 3.882 123.764 119.914 -0.055 0.000 2.483 508 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 508 V C -0.024 175.998 176.094 -0.120 0.000 1.035 508 V CA -0.615 61.651 62.300 -0.056 0.000 0.896 508 V CB 2.293 34.166 31.823 0.083 0.000 0.986 508 V HN 0.433 nan 8.190 nan 0.000 0.447 509 V N 5.100 124.835 119.914 -0.299 0.000 2.495 509 V HA 0.608 4.728 4.120 -0.000 0.000 0.298 509 V C -0.323 175.690 176.094 -0.135 0.000 1.031 509 V CA -0.572 61.474 62.300 -0.422 0.000 0.871 509 V CB 1.975 33.274 31.823 -0.874 0.000 0.988 509 V HN 0.610 nan 8.190 nan 0.000 0.432 510 V N 2.353 122.270 119.914 0.005 0.000 2.769 510 V HA 0.445 4.564 4.120 -0.000 0.000 0.312 510 V C -0.347 175.780 176.094 0.055 0.000 1.061 510 V CA -0.725 61.620 62.300 0.075 0.000 0.931 510 V CB 2.181 34.163 31.823 0.264 0.000 1.010 510 V HN 0.900 nan 8.190 nan 0.000 0.433 511 D N 2.108 122.538 120.400 0.050 0.000 2.325 511 D HA 0.056 4.696 4.640 -0.000 0.000 0.251 511 D C 0.655 177.052 176.300 0.161 0.000 1.196 511 D CA 0.061 54.108 54.000 0.079 0.000 0.866 511 D CB 1.656 42.481 40.800 0.041 0.000 1.101 511 D HN 0.784 nan 8.370 nan 0.000 0.476 512 D N 3.553 124.079 120.400 0.210 0.000 2.178 512 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 512 D C 1.439 177.973 176.300 0.389 0.000 0.980 512 D CA 1.389 55.612 54.000 0.371 0.000 0.842 512 D CB 0.372 41.420 40.800 0.413 0.000 0.948 512 D HN 0.339 nan 8.370 nan 0.000 0.472 513 K N -1.114 119.432 120.400 0.242 0.000 2.228 513 K HA -0.016 4.304 4.320 -0.000 0.000 0.202 513 K C 1.922 178.634 176.600 0.187 0.000 1.051 513 K CA 1.481 57.886 56.287 0.197 0.000 0.960 513 K CB 0.120 32.689 32.500 0.116 0.000 0.743 513 K HN 0.299 nan 8.250 nan 0.000 0.458 514 T N -2.103 112.541 114.554 0.151 0.000 2.990 514 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 514 T C 0.902 175.663 174.700 0.101 0.000 1.041 514 T CA -0.306 61.857 62.100 0.104 0.000 1.010 514 T CB -0.028 68.872 68.868 0.053 0.000 1.003 514 T HN 0.163 nan 8.240 nan 0.000 0.499 515 L N -0.162 121.138 121.223 0.129 0.000 4.040 515 L HA -0.176 4.164 4.340 -0.000 0.000 0.410 515 L C 0.220 177.183 176.870 0.155 0.000 1.187 515 L CA 0.534 55.451 54.840 0.128 0.000 0.956 515 L CB -1.612 40.464 42.059 0.028 0.000 2.022 515 L HN 0.408 nan 8.230 nan 0.000 0.897 516 K N 0.406 120.841 120.400 0.059 0.000 2.221 516 K HA 0.596 4.915 4.320 -0.000 0.000 0.243 516 K C -0.175 176.253 176.600 -0.286 0.000 0.968 516 K CA -0.990 55.241 56.287 -0.093 0.000 0.846 516 K CB 1.770 34.212 32.500 -0.098 0.000 1.141 516 K HN 0.022 nan 8.250 nan 0.000 0.434 517 L N 2.883 123.642 121.223 -0.774 0.000 2.485 517 L HA 0.063 4.403 4.340 -0.000 0.000 0.275 517 L C 0.677 177.302 176.870 -0.409 0.000 1.207 517 L CA 1.185 55.527 54.840 -0.830 0.000 0.855 517 L CB 0.618 41.867 42.059 -1.350 0.000 1.114 517 L HN 0.848 nan 8.230 nan 0.000 0.485 518 K N 2.996 123.225 120.400 -0.286 0.000 2.462 518 K HA 0.576 4.896 4.320 -0.000 0.000 0.201 518 K C -0.491 175.983 176.600 -0.211 0.000 1.268 518 K CA 0.417 56.581 56.287 -0.205 0.000 0.933 518 K CB 0.680 33.098 32.500 -0.136 0.000 1.162 518 K HN 0.762 nan 8.250 nan 0.000 0.527 519 A N 0.496 123.165 122.820 -0.252 0.000 2.594 519 A HA 0.525 4.845 4.320 -0.000 0.000 0.296 519 A C -1.793 175.628 177.584 -0.271 0.000 1.056 519 A CA -0.644 51.240 52.037 -0.255 0.000 0.693 519 A CB 1.884 20.714 19.000 -0.283 0.000 1.278 519 A HN -0.077 nan 8.150 nan 0.000 0.408 520 V N 1.738 121.526 119.914 -0.210 0.000 2.444 520 V HA 0.512 4.632 4.120 -0.000 0.000 0.294 520 V C -0.423 175.574 176.094 -0.161 0.000 1.022 520 V CA -0.588 61.611 62.300 -0.169 0.000 0.850 520 V CB 1.640 33.404 31.823 -0.097 0.000 0.992 520 V HN 0.767 nan 8.190 nan 0.000 0.426 521 V N 5.648 125.454 119.914 -0.179 0.000 2.394 521 V HA 0.531 4.650 4.120 -0.000 0.000 0.282 521 V C 0.031 176.089 176.094 -0.060 0.000 1.031 521 V CA -0.609 61.614 62.300 -0.128 0.000 0.881 521 V CB 1.326 33.056 31.823 -0.154 0.000 0.982 521 V HN 0.827 nan 8.190 nan 0.000 0.451 522 K N 3.282 123.661 120.400 -0.034 0.000 2.426 522 K HA 0.673 4.992 4.320 -0.000 0.000 0.251 522 K C -1.475 175.127 176.600 0.003 0.000 0.941 522 K CA -0.831 55.450 56.287 -0.010 0.000 0.808 522 K CB 2.567 35.062 32.500 -0.009 0.000 1.265 522 K HN 0.746 nan 8.250 nan 0.000 0.432 523 D N 1.886 122.294 120.400 0.015 0.000 2.747 523 D HA 0.066 4.706 4.640 -0.000 0.000 0.218 523 D C -2.217 174.099 176.300 0.026 0.000 1.230 523 D CA -1.136 52.876 54.000 0.021 0.000 0.774 523 D CB 1.997 42.813 40.800 0.027 0.000 1.667 523 D HN 0.189 nan 8.370 nan 0.000 0.499 524 P HA -0.050 nan 4.420 nan 0.000 0.226 524 P C 0.860 178.180 177.300 0.033 0.000 1.146 524 P CA 0.597 63.713 63.100 0.028 0.000 0.773 524 P CB 0.384 32.098 31.700 0.024 0.000 0.772 525 R N -0.996 119.524 120.500 0.034 0.000 2.280 525 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 525 R C 0.974 177.300 176.300 0.044 0.000 0.935 525 R CA -0.265 55.858 56.100 0.038 0.000 1.033 525 R CB -0.360 29.962 30.300 0.037 0.000 0.964 525 R HN 0.088 nan 8.270 nan 0.000 0.489 526 L N 2.464 123.714 121.223 0.045 0.000 2.436 526 L HA 0.127 4.467 4.340 -0.000 0.000 0.244 526 L C -0.681 176.223 176.870 0.057 0.000 1.396 526 L CA 0.196 55.065 54.840 0.048 0.000 1.217 526 L CB -0.317 41.768 42.059 0.043 0.000 1.420 526 L HN -0.052 nan 8.230 nan 0.000 0.434 527 I N 2.830 123.437 120.570 0.062 0.000 2.452 527 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 527 I C 1.135 177.307 176.117 0.091 0.000 1.079 527 I CA 0.243 61.590 61.300 0.080 0.000 1.387 527 I CB 0.570 38.618 38.000 0.079 0.000 1.404 527 I HN 0.673 nan 8.210 nan 0.000 0.522 528 T N 5.014 119.648 114.554 0.132 0.000 3.290 528 T HA -0.120 4.230 4.350 -0.000 0.000 0.422 528 T C -2.184 172.507 174.700 -0.015 0.000 0.771 528 T CA -0.641 61.560 62.100 0.168 0.000 2.100 528 T CB -1.815 67.229 68.868 0.293 0.000 1.676 528 T HN 0.442 nan 8.240 nan 0.000 0.613 529 P HA 0.229 nan 4.420 nan 0.000 0.271 529 P C 0.943 178.068 177.300 -0.293 0.000 1.216 529 P CA 0.094 63.131 63.100 -0.105 0.000 0.771 529 P CB 1.563 33.244 31.700 -0.032 0.000 0.864 530 T N 0.561 114.941 114.554 -0.291 0.000 2.964 530 T HA 0.352 4.702 4.350 -0.000 0.000 0.161 530 T C 1.018 175.549 174.700 -0.281 0.000 0.859 530 T CA 0.118 61.967 62.100 -0.418 0.000 1.015 530 T CB -0.824 67.764 68.868 -0.466 0.000 2.138 530 T HN 0.360 nan 8.240 nan 0.000 0.367 531 G N 1.960 110.634 108.800 -0.209 0.000 2.441 531 G HA2 0.496 4.455 3.960 -0.000 0.000 0.243 531 G HA3 0.496 4.455 3.960 -0.000 0.000 0.243 531 G C -0.947 173.773 174.900 -0.300 0.000 1.281 531 G CA -0.449 44.464 45.100 -0.312 0.000 0.854 531 G HN 0.618 nan 8.290 nan 0.000 0.560 532 K N 1.144 121.212 120.400 -0.554 0.000 2.463 532 K HA 0.362 4.681 4.320 -0.000 0.000 0.255 532 K C -1.555 174.731 176.600 -0.524 0.000 0.942 532 K CA -0.421 55.698 56.287 -0.280 0.000 0.814 532 K CB 2.127 34.568 32.500 -0.099 0.000 1.122 532 K HN 0.383 nan 8.250 nan 0.000 0.425 533 F N 2.017 121.965 119.950 -0.002 0.000 2.434 533 F HA 0.227 4.754 4.527 -0.000 0.000 0.355 533 F C 0.562 176.231 175.800 -0.218 0.000 1.115 533 F CA -0.932 57.019 58.000 -0.081 0.000 1.010 533 F CB 1.136 40.093 39.000 -0.072 0.000 1.234 533 F HN 0.449 nan 8.300 nan 0.000 0.439 534 N N 2.792 121.317 118.700 -0.292 0.000 2.452 534 N HA 0.046 4.786 4.740 -0.000 0.000 0.266 534 N C 1.116 176.484 175.510 -0.237 0.000 1.175 534 N CA -0.038 52.593 53.050 -0.699 0.000 0.945 534 N CB 1.296 39.288 38.487 -0.825 0.000 1.063 534 N HN 0.461 nan 8.380 nan 0.000 0.472 535 V N 4.938 124.733 119.914 -0.199 0.000 2.222 535 V HA -0.322 3.798 4.120 -0.000 0.000 0.252 535 V C 1.812 177.922 176.094 0.028 0.000 1.060 535 V CA 1.986 64.258 62.300 -0.048 0.000 1.027 535 V CB -1.148 30.663 31.823 -0.021 0.000 0.644 535 V HN 0.773 nan 8.190 nan 0.000 0.448 536 Y N 1.604 121.885 120.300 -0.031 0.000 2.128 536 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 536 Y C 2.502 178.488 175.900 0.143 0.000 1.154 536 Y CA 2.233 60.388 58.100 0.091 0.000 1.149 536 Y CB -0.252 38.247 38.460 0.065 0.000 0.976 536 Y HN 0.343 nan 8.280 nan 0.000 0.505 537 N N -1.068 117.771 118.700 0.232 0.000 2.396 537 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 537 N C 1.615 177.229 175.510 0.173 0.000 1.028 537 N CA 1.632 54.810 53.050 0.213 0.000 0.893 537 N CB -0.480 38.132 38.487 0.209 0.000 0.967 537 N HN 0.368 nan 8.380 nan 0.000 0.440 538 T N 0.381 115.006 114.554 0.119 0.000 2.894 538 T HA -0.064 4.286 4.350 -0.000 0.000 0.258 538 T C 1.788 176.522 174.700 0.057 0.000 1.043 538 T CA 0.553 62.735 62.100 0.137 0.000 1.141 538 T CB 0.060 69.006 68.868 0.130 0.000 0.873 538 T HN 0.276 nan 8.240 nan 0.000 0.449 539 Q N 0.222 119.993 119.800 -0.048 0.000 2.170 539 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 539 Q C 1.217 177.017 176.000 -0.332 0.000 0.976 539 Q CA 1.279 56.959 55.803 -0.204 0.000 0.858 539 Q CB 0.036 28.593 28.738 -0.302 0.000 0.907 539 Q HN 0.601 nan 8.270 nan 0.000 0.433 540 H N -0.067 118.931 119.070 -0.120 0.000 2.672 540 H HA 0.103 4.659 4.556 -0.000 0.000 0.277 540 H C -0.502 174.890 175.328 0.106 0.000 1.074 540 H CA 0.145 56.142 56.048 -0.086 0.000 1.173 540 H CB 0.722 30.271 29.762 -0.355 0.000 1.558 540 H HN 0.301 nan 8.280 nan 0.000 0.539 541 D N 1.129 121.686 120.400 0.263 0.000 2.697 541 D HA -0.139 4.501 4.640 -0.000 0.000 0.238 541 D C -0.183 176.198 176.300 0.136 0.000 1.152 541 D CA 0.315 54.504 54.000 0.315 0.000 0.666 541 D CB -1.415 39.553 40.800 0.280 0.000 1.037 541 D HN 0.118 nan 8.370 nan 0.000 0.423 542 V N 1.678 121.721 119.914 0.215 0.000 2.339 542 V HA 0.450 4.569 4.120 -0.000 0.000 0.261 542 V C 0.206 176.410 176.094 0.183 0.000 1.058 542 V CA -0.056 62.297 62.300 0.088 0.000 0.897 542 V CB -0.408 31.444 31.823 0.048 0.000 1.052 542 V HN 0.318 nan 8.190 nan 0.000 0.480 543 Y N 0.000 120.397 120.300 0.161 0.000 2.660 543 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 543 Y CA 0.000 58.209 58.100 0.182 0.000 1.940 543 Y CB 0.000 38.597 38.460 0.229 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758