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 2fr8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPAISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT XXXXXXXXXX XXXXXXXXXX XXXXXKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.170 176.300 -0.216 0.000 1.140 1 M CA 0.000 55.081 55.300 -0.365 0.000 0.988 1 M CB 0.000 32.327 32.600 -0.456 0.000 1.302 2 K N 0.890 121.234 120.400 -0.093 0.000 2.413 2 K HA 0.835 5.155 4.320 -0.001 0.000 0.257 2 K C -1.899 174.726 176.600 0.041 0.000 0.946 2 K CA -0.399 55.882 56.287 -0.011 0.000 0.823 2 K CB 1.552 34.041 32.500 -0.018 0.000 1.109 2 K HN 0.671 nan 8.250 nan 0.000 0.427 3 I N 2.899 123.507 120.570 0.064 0.000 2.474 3 I HA 0.616 4.786 4.170 -0.001 0.000 0.294 3 I C -1.385 174.694 176.117 -0.065 0.000 1.005 3 I CA -0.463 60.822 61.300 -0.025 0.000 1.113 3 I CB 1.644 39.548 38.000 -0.160 0.000 1.289 3 I HN 0.760 nan 8.210 nan 0.000 0.436 4 A N 7.557 130.346 122.820 -0.051 0.000 2.393 4 A HA 0.816 5.136 4.320 -0.001 0.000 0.306 4 A C -1.385 176.230 177.584 0.052 0.000 1.050 4 A CA -0.423 51.614 52.037 0.001 0.000 0.724 4 A CB 1.153 20.168 19.000 0.024 0.000 1.248 4 A HN 0.548 nan 8.150 nan 0.000 0.424 5 I N 4.074 124.685 120.570 0.069 0.000 2.411 5 I HA 0.413 4.583 4.170 -0.001 0.000 0.284 5 I C -2.219 173.946 176.117 0.080 0.000 1.012 5 I CA -1.676 59.698 61.300 0.123 0.000 1.119 5 I CB 2.020 40.112 38.000 0.154 0.000 1.261 5 I HN 0.435 nan 8.210 nan 0.000 0.448 6 P HA 0.226 nan 4.420 nan 0.000 0.278 6 P C -0.742 176.577 177.300 0.032 0.000 1.266 6 P CA -0.856 62.272 63.100 0.046 0.000 0.807 6 P CB 1.101 32.828 31.700 0.045 0.000 1.094 7 K N 0.665 121.075 120.400 0.017 0.000 2.295 7 K HA 0.068 4.388 4.320 -0.001 0.000 0.270 7 K C 0.146 176.742 176.600 -0.006 0.000 1.011 7 K CA -0.206 56.082 56.287 0.002 0.000 0.953 7 K CB 0.260 32.759 32.500 -0.001 0.000 0.956 7 K HN 0.311 nan 8.250 nan 0.000 0.477 8 E N 3.681 123.866 120.200 -0.025 0.000 2.180 8 E HA 0.036 4.386 4.350 -0.001 0.000 0.283 8 E C 0.400 176.984 176.600 -0.028 0.000 1.061 8 E CA -0.083 56.296 56.400 -0.035 0.000 0.861 8 E CB 1.149 30.809 29.700 -0.067 0.000 1.056 8 E HN 0.486 nan 8.360 nan 0.000 0.407 9 R N 1.901 122.390 120.500 -0.019 0.000 2.210 9 R HA 0.095 4.435 4.340 -0.001 0.000 0.203 9 R C 0.665 176.954 176.300 -0.018 0.000 1.010 9 R CA 0.110 56.202 56.100 -0.014 0.000 1.008 9 R CB 0.188 30.484 30.300 -0.006 0.000 0.923 9 R HN 0.318 nan 8.270 nan 0.000 0.469 10 R N 1.870 122.356 120.500 -0.023 0.000 2.623 10 R HA 0.079 4.419 4.340 -0.001 0.000 0.271 10 R C -2.155 174.128 176.300 -0.027 0.000 1.043 10 R CA -1.420 54.665 56.100 -0.024 0.000 1.083 10 R CB -0.138 30.145 30.300 -0.030 0.000 0.974 10 R HN -0.106 nan 8.270 nan 0.000 0.436 11 P HA -0.047 nan 4.420 nan 0.000 0.261 11 P C 0.506 177.789 177.300 -0.027 0.000 1.183 11 P CA 0.913 64.001 63.100 -0.021 0.000 0.761 11 P CB 0.524 32.215 31.700 -0.014 0.000 0.785 12 G N 1.976 110.758 108.800 -0.030 0.000 2.184 12 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.264 12 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.264 12 G C 0.288 175.158 174.900 -0.050 0.000 0.975 12 G CA 0.007 45.084 45.100 -0.037 0.000 0.642 12 G HN 0.599 nan 8.290 nan 0.000 0.536 13 E N 1.321 121.489 120.200 -0.054 0.000 2.070 13 E HA 0.447 4.797 4.350 -0.001 0.000 0.282 13 E C 0.678 177.237 176.600 -0.069 0.000 1.104 13 E CA -0.359 55.998 56.400 -0.071 0.000 0.876 13 E CB 0.302 29.955 29.700 -0.078 0.000 1.055 13 E HN 0.239 nan 8.360 nan 0.000 0.401 14 D N 3.658 124.014 120.400 -0.074 0.000 2.417 14 D HA 0.068 4.708 4.640 -0.001 0.000 0.207 14 D C 0.146 176.401 176.300 -0.076 0.000 1.075 14 D CA 0.060 54.020 54.000 -0.065 0.000 0.851 14 D CB 0.396 41.162 40.800 -0.058 0.000 0.976 14 D HN 0.329 nan 8.370 nan 0.000 0.505 15 R N 0.252 120.688 120.500 -0.107 0.000 2.726 15 R HA 0.428 4.768 4.340 -0.001 0.000 0.272 15 R C -0.196 176.020 176.300 -0.140 0.000 1.097 15 R CA -0.184 55.834 56.100 -0.135 0.000 1.198 15 R CB 1.299 31.472 30.300 -0.211 0.000 1.114 15 R HN -0.170 nan 8.270 nan 0.000 0.550 16 V N -0.244 119.587 119.914 -0.139 0.000 3.012 16 V HA 0.451 4.571 4.120 -0.001 0.000 0.307 16 V C -0.771 175.269 176.094 -0.091 0.000 1.166 16 V CA -0.495 61.748 62.300 -0.095 0.000 0.974 16 V CB 2.119 33.925 31.823 -0.028 0.000 1.040 16 V HN 0.874 nan 8.190 nan 0.000 0.428 17 A N 6.582 129.385 122.820 -0.028 0.000 2.728 17 A HA 0.651 4.970 4.320 -0.001 0.000 0.258 17 A C 0.014 177.754 177.584 0.260 0.000 1.454 17 A CA 0.321 52.428 52.037 0.116 0.000 1.146 17 A CB -0.919 18.197 19.000 0.194 0.000 0.985 17 A HN 0.983 nan 8.150 nan 0.000 0.603 18 I N -1.161 119.518 120.570 0.183 0.000 2.897 18 I HA 0.387 4.557 4.170 -0.001 0.000 0.299 18 I C -0.848 175.341 176.117 0.120 0.000 1.527 18 I CA -0.239 61.182 61.300 0.203 0.000 0.979 18 I CB 2.106 40.228 38.000 0.202 0.000 1.360 18 I HN 0.211 nan 8.210 nan 0.000 0.495 19 S N 3.761 119.528 115.700 0.111 0.000 2.618 19 S HA 0.643 5.112 4.470 -0.001 0.000 0.277 19 S C -2.626 172.008 174.600 0.058 0.000 1.138 19 S CA -1.176 57.065 58.200 0.068 0.000 0.844 19 S CB 2.104 65.338 63.200 0.057 0.000 1.127 19 S HN 0.397 nan 8.310 nan 0.000 0.474 20 P HA -0.075 nan 4.420 nan 0.000 0.218 20 P C 1.262 178.578 177.300 0.027 0.000 1.148 20 P CA 1.133 64.250 63.100 0.028 0.000 0.822 20 P CB 0.117 31.829 31.700 0.019 0.000 0.784 21 E N -0.280 119.938 120.200 0.030 0.000 2.072 21 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 21 E C 1.694 178.315 176.600 0.034 0.000 0.985 21 E CA 1.101 57.517 56.400 0.027 0.000 0.801 21 E CB -0.190 29.524 29.700 0.024 0.000 0.750 21 E HN -0.010 nan 8.360 nan 0.000 0.452 22 V N 0.637 120.584 119.914 0.056 0.000 2.667 22 V HA -0.178 3.942 4.120 -0.001 0.000 0.252 22 V C 2.368 178.489 176.094 0.044 0.000 1.065 22 V CA 0.882 63.230 62.300 0.079 0.000 1.083 22 V CB -0.012 31.907 31.823 0.159 0.000 0.692 22 V HN 0.165 nan 8.190 nan 0.000 0.468 23 V N 0.269 120.202 119.914 0.032 0.000 2.287 23 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 23 V C 2.437 178.527 176.094 -0.008 0.000 1.053 23 V CA 2.162 64.461 62.300 -0.001 0.000 1.027 23 V CB -0.698 31.131 31.823 0.010 0.000 0.646 23 V HN 0.552 nan 8.190 nan 0.000 0.447 24 K N -0.271 120.132 120.400 0.006 0.000 2.148 24 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 24 K C 2.226 178.829 176.600 0.004 0.000 1.050 24 K CA 0.890 57.181 56.287 0.007 0.000 0.942 24 K CB -0.162 32.344 32.500 0.010 0.000 0.724 24 K HN 0.323 nan 8.250 nan 0.000 0.446 25 K N 0.569 120.969 120.400 0.001 0.000 2.057 25 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 25 K C 2.041 178.621 176.600 -0.033 0.000 1.050 25 K CA 0.894 57.178 56.287 -0.004 0.000 0.935 25 K CB -0.216 32.288 32.500 0.006 0.000 0.715 25 K HN 0.051 nan 8.250 nan 0.000 0.439 26 L N 0.753 121.923 121.223 -0.089 0.000 2.027 26 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 26 L C 2.433 179.306 176.870 0.005 0.000 1.074 26 L CA 1.157 55.871 54.840 -0.209 0.000 0.745 26 L CB -0.955 40.880 42.059 -0.375 0.000 0.898 26 L HN -0.153 nan 8.230 nan 0.000 0.433 27 V N -0.145 119.786 119.914 0.027 0.000 2.287 27 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 27 V C 2.589 178.731 176.094 0.080 0.000 1.053 27 V CA 1.870 64.213 62.300 0.072 0.000 1.027 27 V CB -1.500 30.344 31.823 0.036 0.000 0.646 27 V HN 0.581 nan 8.190 nan 0.000 0.447 28 G N -0.248 108.584 108.800 0.053 0.000 2.469 28 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.220 28 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.220 28 G C 1.514 176.459 174.900 0.075 0.000 1.136 28 G CA 0.941 46.070 45.100 0.049 0.000 0.759 28 G HN 0.506 nan 8.290 nan 0.000 0.562 29 L N 0.075 121.373 121.223 0.124 0.000 2.465 29 L HA 0.211 4.551 4.340 -0.001 0.000 0.224 29 L C 1.811 178.814 176.870 0.221 0.000 1.145 29 L CA 0.586 55.544 54.840 0.196 0.000 0.834 29 L CB -0.116 42.103 42.059 0.268 0.000 0.944 29 L HN 0.420 nan 8.230 nan 0.000 0.451 30 G N -0.504 108.412 108.800 0.194 0.000 2.309 30 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.183 30 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.183 30 G C -0.385 174.482 174.900 -0.055 0.000 1.063 30 G CA -0.765 44.360 45.100 0.041 0.000 0.768 30 G HN 0.056 nan 8.290 nan 0.000 0.490 31 F N 0.447 120.364 119.950 -0.055 0.000 2.522 31 F HA 0.586 5.112 4.527 -0.001 0.000 0.324 31 F C 0.654 176.414 175.800 -0.067 0.000 1.077 31 F CA -0.977 56.978 58.000 -0.075 0.000 0.944 31 F CB 1.563 40.493 39.000 -0.117 0.000 1.175 31 F HN 0.080 nan 8.300 nan 0.000 0.468 32 E N 1.773 122.029 120.200 0.093 0.000 2.130 32 E HA 0.391 4.741 4.350 -0.001 0.000 0.284 32 E C -1.142 175.490 176.600 0.054 0.000 1.018 32 E CA -0.536 55.893 56.400 0.049 0.000 0.817 32 E CB 1.587 31.292 29.700 0.008 0.000 1.078 32 E HN 0.222 nan 8.360 nan 0.000 0.396 33 V N 5.656 125.585 119.914 0.025 0.000 2.364 33 V HA 0.188 4.308 4.120 -0.001 0.000 0.272 33 V C 0.009 176.098 176.094 -0.008 0.000 1.036 33 V CA -0.629 61.663 62.300 -0.013 0.000 0.880 33 V CB 0.397 32.198 31.823 -0.036 0.000 0.991 33 V HN 0.555 nan 8.190 nan 0.000 0.460 34 I N 5.802 126.365 120.570 -0.011 0.000 2.359 34 I HA 0.585 4.754 4.170 -0.001 0.000 0.294 34 I C -0.157 175.964 176.117 0.007 0.000 0.987 34 I CA -0.653 60.647 61.300 0.001 0.000 1.225 34 I CB 1.478 39.481 38.000 0.005 0.000 1.366 34 I HN 0.230 nan 8.210 nan 0.000 0.466 35 V N 4.864 124.786 119.914 0.013 0.000 2.686 35 V HA 0.252 4.372 4.120 -0.001 0.000 0.306 35 V C 0.113 176.218 176.094 0.019 0.000 1.065 35 V CA -0.887 61.426 62.300 0.023 0.000 0.894 35 V CB 2.221 34.059 31.823 0.025 0.000 1.004 35 V HN 0.834 nan 8.190 nan 0.000 0.424 36 E N 3.588 123.801 120.200 0.022 0.000 2.384 36 E HA 0.070 4.419 4.350 -0.001 0.000 0.266 36 E C 0.215 176.823 176.600 0.013 0.000 1.012 36 E CA -0.294 56.116 56.400 0.017 0.000 0.901 36 E CB 0.717 30.428 29.700 0.018 0.000 0.967 36 E HN 0.727 nan 8.360 nan 0.000 0.435 37 Q N 3.472 123.278 119.800 0.009 0.000 2.264 37 Q HA -0.028 4.312 4.340 -0.001 0.000 0.296 37 Q C 0.514 176.516 176.000 0.005 0.000 1.103 37 Q CA 1.092 56.899 55.803 0.007 0.000 0.967 37 Q CB -0.187 28.554 28.738 0.005 0.000 1.090 37 Q HN 0.923 nan 8.270 nan 0.000 0.379 38 G N 2.766 111.569 108.800 0.004 0.000 2.143 38 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.249 38 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.249 38 G C 0.668 175.567 174.900 -0.001 0.000 0.981 38 G CA 0.372 45.473 45.100 0.001 0.000 0.665 38 G HN 0.934 nan 8.290 nan 0.000 0.528 39 A N 0.052 122.874 122.820 0.003 0.000 1.933 39 A HA 0.348 4.668 4.320 -0.001 0.000 0.218 39 A C 2.459 180.040 177.584 -0.005 0.000 1.175 39 A CA 2.305 54.342 52.037 0.001 0.000 0.628 39 A CB -0.476 18.531 19.000 0.012 0.000 0.814 39 A HN 1.656 nan 8.150 nan 0.000 0.444 40 G N -1.182 107.618 108.800 -0.000 0.000 3.314 40 G HA2 0.304 4.263 3.960 -0.001 0.000 0.238 40 G HA3 0.304 4.263 3.960 -0.001 0.000 0.238 40 G C 0.993 175.888 174.900 -0.008 0.000 1.184 40 G CA 0.576 45.674 45.100 -0.003 0.000 0.806 40 G HN 0.213 nan 8.290 nan 0.000 0.536 41 V N 1.298 121.205 119.914 -0.010 0.000 2.295 41 V HA -0.092 4.028 4.120 -0.001 0.000 0.246 41 V C 3.024 179.108 176.094 -0.018 0.000 1.049 41 V CA 2.337 64.630 62.300 -0.012 0.000 1.024 41 V CB -0.633 31.183 31.823 -0.011 0.000 0.648 41 V HN 0.410 nan 8.190 nan 0.000 0.447 42 G N -0.710 108.076 108.800 -0.024 0.000 2.443 42 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.219 42 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.219 42 G C 1.319 176.200 174.900 -0.032 0.000 1.131 42 G CA 0.801 45.882 45.100 -0.031 0.000 0.775 42 G HN 0.637 nan 8.290 nan 0.000 0.547 43 A N -0.309 122.495 122.820 -0.028 0.000 2.379 43 A HA 0.536 4.856 4.320 -0.001 0.000 0.236 43 A C 1.428 179.003 177.584 -0.015 0.000 1.272 43 A CA 0.898 52.921 52.037 -0.024 0.000 0.886 43 A CB -0.131 18.855 19.000 -0.023 0.000 0.962 43 A HN 0.595 nan 8.150 nan 0.000 0.504 44 S N -0.692 114.999 115.700 -0.014 0.000 3.587 44 S HA -0.129 4.341 4.470 -0.001 0.000 0.337 44 S C -0.069 174.528 174.600 -0.005 0.000 1.119 44 S CA 0.936 59.130 58.200 -0.010 0.000 0.976 44 S CB -1.539 61.654 63.200 -0.011 0.000 0.922 44 S HN 0.508 nan 8.310 nan 0.000 0.503 45 I N 2.718 123.287 120.570 -0.003 0.000 2.354 45 I HA 0.278 4.447 4.170 -0.001 0.000 0.286 45 I C 1.099 177.218 176.117 0.003 0.000 1.007 45 I CA -0.357 60.945 61.300 0.003 0.000 1.167 45 I CB 0.805 38.811 38.000 0.009 0.000 1.320 45 I HN 0.317 nan 8.210 nan 0.000 0.458 46 T N 0.847 115.404 114.554 0.003 0.000 2.913 46 T HA 0.168 4.518 4.350 -0.001 0.000 0.297 46 T C 0.880 175.584 174.700 0.006 0.000 1.029 46 T CA -0.520 61.582 62.100 0.003 0.000 1.104 46 T CB 1.393 70.262 68.868 0.002 0.000 0.964 46 T HN 0.402 nan 8.240 nan 0.000 0.532 47 D N 1.003 121.406 120.400 0.005 0.000 2.158 47 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 47 D C 1.662 177.966 176.300 0.006 0.000 0.995 47 D CA 1.638 55.642 54.000 0.007 0.000 0.846 47 D CB -0.410 40.393 40.800 0.005 0.000 0.941 47 D HN 0.900 nan 8.370 nan 0.000 0.456 48 D N 0.310 120.713 120.400 0.005 0.000 2.104 48 D HA -0.145 4.495 4.640 -0.001 0.000 0.194 48 D C 1.865 178.169 176.300 0.006 0.000 0.994 48 D CA 1.933 55.936 54.000 0.005 0.000 0.830 48 D CB -0.218 40.584 40.800 0.003 0.000 0.959 48 D HN 0.106 nan 8.370 nan 0.000 0.452 49 A N -0.344 122.480 122.820 0.006 0.000 2.070 49 A HA -0.028 4.292 4.320 -0.001 0.000 0.220 49 A C 2.388 179.978 177.584 0.010 0.000 1.159 49 A CA 1.069 53.110 52.037 0.008 0.000 0.656 49 A CB -0.601 18.404 19.000 0.008 0.000 0.800 49 A HN 0.417 nan 8.150 nan 0.000 0.453 50 L N -0.693 120.536 121.223 0.011 0.000 2.168 50 L HA -0.075 4.265 4.340 -0.001 0.000 0.203 50 L C 2.975 179.851 176.870 0.010 0.000 1.078 50 L CA 1.476 56.324 54.840 0.013 0.000 0.780 50 L CB -1.002 41.066 42.059 0.015 0.000 0.939 50 L HN 0.562 nan 8.230 nan 0.000 0.451 51 T N -1.577 112.982 114.554 0.008 0.000 2.708 51 T HA -0.173 4.177 4.350 -0.001 0.000 0.266 51 T C 2.023 176.727 174.700 0.006 0.000 1.037 51 T CA 1.062 63.166 62.100 0.007 0.000 1.146 51 T CB -0.537 68.335 68.868 0.006 0.000 0.865 51 T HN 0.270 nan 8.240 nan 0.000 0.435 52 A N 2.085 124.909 122.820 0.006 0.000 1.948 52 A HA 0.207 4.527 4.320 -0.001 0.000 0.220 52 A C 2.782 180.370 177.584 0.007 0.000 1.177 52 A CA 2.088 54.129 52.037 0.006 0.000 0.636 52 A CB -1.376 17.627 19.000 0.006 0.000 0.815 52 A HN 0.827 nan 8.150 nan 0.000 0.449 53 A N -2.378 120.447 122.820 0.008 0.000 2.066 53 A HA 0.353 4.673 4.320 -0.001 0.000 0.218 53 A C 1.929 179.519 177.584 0.009 0.000 1.157 53 A CA 1.757 53.799 52.037 0.009 0.000 0.670 53 A CB -0.585 18.422 19.000 0.012 0.000 0.804 53 A HN 1.816 nan 8.150 nan 0.000 0.453 54 G N -3.005 105.800 108.800 0.008 0.000 2.318 54 G HA2 0.257 4.216 3.960 -0.001 0.000 0.172 54 G HA3 0.257 4.216 3.960 -0.001 0.000 0.172 54 G C 0.392 175.296 174.900 0.007 0.000 1.002 54 G CA 0.130 45.235 45.100 0.008 0.000 0.697 54 G HN 1.343 nan 8.290 nan 0.000 0.483 55 A N 0.158 122.982 122.820 0.006 0.000 2.313 55 A HA 0.752 5.072 4.320 -0.001 0.000 0.261 55 A C 0.494 178.081 177.584 0.006 0.000 1.090 55 A CA 0.945 52.985 52.037 0.005 0.000 0.807 55 A CB 0.538 19.540 19.000 0.005 0.000 1.055 55 A HN 0.575 nan 8.150 nan 0.000 0.492 56 T N 1.121 115.678 114.554 0.005 0.000 2.859 56 T HA 0.529 4.878 4.350 -0.001 0.000 0.281 56 T C -0.213 174.491 174.700 0.006 0.000 1.005 56 T CA 0.059 62.162 62.100 0.005 0.000 1.025 56 T CB 0.459 69.330 68.868 0.004 0.000 0.977 56 T HN 0.396 nan 8.240 nan 0.000 0.458 57 I N 2.685 123.259 120.570 0.006 0.000 2.336 57 I HA 0.548 4.718 4.170 -0.001 0.000 0.292 57 I C 0.349 176.471 176.117 0.007 0.000 0.991 57 I CA -0.822 60.483 61.300 0.007 0.000 1.227 57 I CB 1.328 39.332 38.000 0.007 0.000 1.366 57 I HN 0.611 nan 8.210 nan 0.000 0.466 58 A N 4.200 127.025 122.820 0.008 0.000 2.312 58 A HA 0.481 4.801 4.320 -0.001 0.000 0.326 58 A C 0.865 178.453 177.584 0.008 0.000 1.172 58 A CA -0.419 51.623 52.037 0.008 0.000 0.821 58 A CB 1.017 20.023 19.000 0.010 0.000 1.166 58 A HN 0.756 nan 8.150 nan 0.000 0.493 59 S N 0.229 115.933 115.700 0.006 0.000 2.383 59 S HA -0.008 4.461 4.470 -0.001 0.000 0.227 59 S C 1.072 175.676 174.600 0.006 0.000 1.026 59 S CA 1.674 59.878 58.200 0.006 0.000 0.981 59 S CB -0.093 63.109 63.200 0.004 0.000 0.818 59 S HN 0.911 nan 8.310 nan 0.000 0.472 60 T N -0.827 113.732 114.554 0.007 0.000 2.916 60 T HA 0.653 5.003 4.350 -0.001 0.000 0.292 60 T C 0.894 175.600 174.700 0.011 0.000 1.064 60 T CA -0.167 61.938 62.100 0.008 0.000 1.011 60 T CB 1.489 70.362 68.868 0.007 0.000 1.152 60 T HN -0.011 nan 8.240 nan 0.000 0.510 61 A N 1.658 124.485 122.820 0.012 0.000 1.902 61 A HA 0.227 4.547 4.320 -0.001 0.000 0.217 61 A C 2.517 180.111 177.584 0.018 0.000 1.181 61 A CA 2.149 54.196 52.037 0.017 0.000 0.623 61 A CB -1.337 17.672 19.000 0.016 0.000 0.818 61 A HN 1.077 nan 8.150 nan 0.000 0.443 62 A N -0.504 122.325 122.820 0.015 0.000 1.865 62 A HA -0.277 4.042 4.320 -0.001 0.000 0.217 62 A C 2.241 179.833 177.584 0.014 0.000 1.191 62 A CA 2.050 54.095 52.037 0.014 0.000 0.623 62 A CB -0.797 18.210 19.000 0.011 0.000 0.826 62 A HN 0.684 nan 8.150 nan 0.000 0.444 63 Q N -0.503 119.304 119.800 0.011 0.000 2.077 63 Q HA -0.195 4.145 4.340 -0.001 0.000 0.206 63 Q C 2.138 178.145 176.000 0.012 0.000 0.989 63 Q CA 2.173 57.981 55.803 0.010 0.000 0.853 63 Q CB -0.409 28.334 28.738 0.008 0.000 0.907 63 Q HN 0.593 nan 8.270 nan 0.000 0.418 64 A N 0.055 122.884 122.820 0.014 0.000 1.933 64 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 64 A C 1.839 179.435 177.584 0.021 0.000 1.175 64 A CA 1.219 53.266 52.037 0.017 0.000 0.628 64 A CB -0.300 18.713 19.000 0.021 0.000 0.814 64 A HN 0.428 nan 8.150 nan 0.000 0.444 65 L N 0.298 121.535 121.223 0.024 0.000 2.307 65 L HA -0.017 4.323 4.340 -0.001 0.000 0.211 65 L C 2.779 179.663 176.870 0.023 0.000 1.099 65 L CA 1.698 56.556 54.840 0.029 0.000 0.816 65 L CB -0.810 41.269 42.059 0.033 0.000 0.952 65 L HN 0.566 nan 8.230 nan 0.000 0.455 66 S N -0.284 115.426 115.700 0.017 0.000 2.368 66 S HA -0.305 4.164 4.470 -0.001 0.000 0.226 66 S C 1.639 176.246 174.600 0.012 0.000 1.044 66 S CA 1.441 59.649 58.200 0.013 0.000 1.062 66 S CB -0.526 62.680 63.200 0.010 0.000 0.931 66 S HN 0.592 nan 8.310 nan 0.000 0.440 67 Q N 1.062 120.868 119.800 0.010 0.000 2.204 67 Q HA 0.498 4.837 4.340 -0.001 0.000 0.209 67 Q C -0.053 175.951 176.000 0.007 0.000 0.861 67 Q CA -0.039 55.767 55.803 0.005 0.000 0.971 67 Q CB 0.565 29.303 28.738 0.000 0.000 1.095 67 Q HN 0.699 nan 8.270 nan 0.000 0.486 68 A N 1.082 123.911 122.820 0.015 0.000 2.396 68 A HA 0.062 4.382 4.320 -0.001 0.000 0.279 68 A C 0.357 177.957 177.584 0.026 0.000 1.165 68 A CA -0.335 51.714 52.037 0.021 0.000 0.824 68 A CB 0.288 19.306 19.000 0.030 0.000 1.100 68 A HN 0.150 nan 8.150 nan 0.000 0.516 69 D N 1.286 121.699 120.400 0.021 0.000 2.123 69 D HA -0.046 4.593 4.640 -0.001 0.000 0.200 69 D C 0.730 177.067 176.300 0.062 0.000 0.976 69 D CA 1.635 55.651 54.000 0.027 0.000 0.831 69 D CB 0.141 40.940 40.800 -0.001 0.000 0.974 69 D HN 0.378 nan 8.370 nan 0.000 0.469 70 V N 0.871 120.828 119.914 0.072 0.000 2.604 70 V HA 0.424 4.544 4.120 -0.001 0.000 0.305 70 V C -1.032 175.107 176.094 0.074 0.000 1.043 70 V CA -0.597 61.765 62.300 0.103 0.000 0.888 70 V CB 2.277 34.172 31.823 0.121 0.000 0.995 70 V HN -0.209 nan 8.190 nan 0.000 0.429 71 V N 6.615 126.628 119.914 0.166 0.000 2.487 71 V HA 0.538 4.657 4.120 -0.001 0.000 0.298 71 V C -1.158 175.187 176.094 0.417 0.000 1.028 71 V CA -0.574 61.845 62.300 0.197 0.000 0.860 71 V CB 1.879 33.798 31.823 0.161 0.000 0.991 71 V HN 0.901 nan 8.190 nan 0.000 0.427 72 W N 4.305 125.666 121.300 0.102 0.000 2.417 72 W HA 0.743 5.403 4.660 0.000 0.000 0.315 72 W C 0.048 176.635 176.519 0.112 0.000 1.045 72 W CA -1.168 56.250 57.345 0.122 0.000 1.221 72 W CB 1.449 30.975 29.460 0.109 0.000 1.309 72 W HN 0.445 nan 8.180 nan 0.000 0.453 73 K N 1.332 121.912 120.400 0.300 0.000 2.509 73 K HA 0.539 4.859 4.320 -0.001 0.000 0.266 73 K C -0.021 176.653 176.600 0.123 0.000 0.987 73 K CA -0.564 55.824 56.287 0.167 0.000 0.868 73 K CB 2.283 34.862 32.500 0.131 0.000 1.421 73 K HN 0.132 nan 8.250 nan 0.000 0.444 74 V N 0.812 120.688 119.914 -0.063 0.000 2.339 74 V HA 0.000 4.120 4.120 -0.001 0.000 0.234 74 V C 0.793 176.864 176.094 -0.038 0.000 1.053 74 V CA 0.835 62.955 62.300 -0.300 0.000 1.042 74 V CB -0.285 31.196 31.823 -0.571 0.000 0.678 74 V HN 0.697 nan 8.190 nan 0.000 0.475 75 Q N 0.080 119.846 119.800 -0.057 0.000 2.199 75 Q HA 0.351 4.691 4.340 -0.001 0.000 0.232 75 Q C 0.180 176.210 176.000 0.051 0.000 0.969 75 Q CA -0.663 55.139 55.803 -0.002 0.000 0.925 75 Q CB 0.727 29.430 28.738 -0.059 0.000 1.198 75 Q HN 0.509 nan 8.270 nan 0.000 0.494 76 R N 0.436 120.978 120.500 0.070 0.000 2.698 76 R HA 0.172 4.512 4.340 -0.001 0.000 0.266 76 R C -2.448 173.879 176.300 0.045 0.000 1.026 76 R CA -1.341 54.800 56.100 0.068 0.000 1.102 76 R CB -0.692 29.648 30.300 0.067 0.000 0.978 76 R HN 0.204 nan 8.270 nan 0.000 0.436 77 P HA 0.010 nan 4.420 nan 0.000 0.268 77 P C -0.390 176.926 177.300 0.026 0.000 1.204 77 P CA 0.271 63.392 63.100 0.036 0.000 0.768 77 P CB 0.592 32.316 31.700 0.040 0.000 0.842 78 M N 2.018 121.630 119.600 0.020 0.000 2.217 78 M HA 0.165 4.645 4.480 -0.001 0.000 0.354 78 M C 1.035 177.344 176.300 0.015 0.000 1.225 78 M CA 0.124 55.433 55.300 0.015 0.000 1.137 78 M CB 0.525 33.131 32.600 0.010 0.000 1.576 78 M HN 0.394 nan 8.290 nan 0.000 0.461 79 T N -0.275 114.287 114.554 0.013 0.000 2.824 79 T HA 0.500 4.850 4.350 -0.001 0.000 0.277 79 T C 1.159 175.865 174.700 0.010 0.000 0.975 79 T CA -0.446 61.661 62.100 0.012 0.000 0.966 79 T CB 1.179 70.054 68.868 0.011 0.000 1.054 79 T HN 0.692 nan 8.240 nan 0.000 0.533 80 A N 0.282 123.108 122.820 0.009 0.000 1.940 80 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 80 A C 1.976 179.564 177.584 0.006 0.000 1.176 80 A CA 1.628 53.669 52.037 0.007 0.000 0.631 80 A CB -1.078 17.926 19.000 0.007 0.000 0.814 80 A HN 0.912 nan 8.150 nan 0.000 0.446 81 E N 0.016 120.220 120.200 0.007 0.000 2.516 81 E HA -0.041 4.308 4.350 -0.001 0.000 0.199 81 E C 1.046 177.649 176.600 0.006 0.000 1.069 81 E CA 0.842 57.245 56.400 0.006 0.000 0.876 81 E CB -0.018 29.686 29.700 0.006 0.000 0.843 81 E HN 0.768 nan 8.360 nan 0.000 0.530 82 E N -1.055 119.148 120.200 0.006 0.000 2.538 82 E HA 0.215 4.564 4.350 -0.001 0.000 0.207 82 E C 0.913 177.515 176.600 0.004 0.000 1.002 82 E CA 0.234 56.637 56.400 0.005 0.000 0.952 82 E CB 0.902 30.606 29.700 0.006 0.000 1.031 82 E HN 0.273 nan 8.360 nan 0.000 0.476 83 G N 1.217 110.020 108.800 0.004 0.000 2.241 83 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 83 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 83 G C 0.545 175.448 174.900 0.004 0.000 0.998 83 G CA 0.440 45.542 45.100 0.004 0.000 0.621 83 G HN 0.225 nan 8.290 nan 0.000 0.519 84 T N 1.271 115.828 114.554 0.005 0.000 3.038 84 T HA 0.414 4.764 4.350 -0.001 0.000 0.344 84 T C -1.204 173.501 174.700 0.008 0.000 1.054 84 T CA -0.376 61.728 62.100 0.006 0.000 1.092 84 T CB 1.588 70.459 68.868 0.005 0.000 1.031 84 T HN 0.178 nan 8.240 nan 0.000 0.482 85 D N 2.611 123.017 120.400 0.009 0.000 2.441 85 D HA 0.067 4.707 4.640 -0.001 0.000 0.243 85 D C 1.098 177.406 176.300 0.013 0.000 1.257 85 D CA 0.041 54.047 54.000 0.011 0.000 1.027 85 D CB 0.552 41.358 40.800 0.010 0.000 1.084 85 D HN 0.546 nan 8.370 nan 0.000 0.514 86 E N 1.316 121.525 120.200 0.016 0.000 2.216 86 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 86 E C 2.028 178.642 176.600 0.024 0.000 0.988 86 E CA 0.343 56.756 56.400 0.020 0.000 0.834 86 E CB 0.460 30.174 29.700 0.023 0.000 0.772 86 E HN 0.312 nan 8.360 nan 0.000 0.479 87 V N 1.604 121.531 119.914 0.022 0.000 2.392 87 V HA -0.284 3.836 4.120 -0.001 0.000 0.249 87 V C 2.315 178.421 176.094 0.020 0.000 1.059 87 V CA 1.887 64.200 62.300 0.022 0.000 1.051 87 V CB -0.634 31.200 31.823 0.018 0.000 0.658 87 V HN 0.314 nan 8.190 nan 0.000 0.455 88 A N -0.566 122.264 122.820 0.017 0.000 2.121 88 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 88 A C 2.112 179.705 177.584 0.016 0.000 1.154 88 A CA 1.218 53.264 52.037 0.015 0.000 0.679 88 A CB -0.396 18.611 19.000 0.012 0.000 0.795 88 A HN 0.562 nan 8.150 nan 0.000 0.458 89 L N -0.079 121.155 121.223 0.019 0.000 2.270 89 L HA 0.063 4.403 4.340 -0.001 0.000 0.210 89 L C 0.169 177.053 176.870 0.025 0.000 1.104 89 L CA -0.170 54.683 54.840 0.021 0.000 0.804 89 L CB -0.452 41.621 42.059 0.022 0.000 0.937 89 L HN 0.197 nan 8.230 nan 0.000 0.450 90 I N 1.551 122.139 120.570 0.029 0.000 2.648 90 I HA -0.036 4.134 4.170 -0.001 0.000 0.284 90 I C 0.773 176.906 176.117 0.027 0.000 1.153 90 I CA 0.196 61.517 61.300 0.034 0.000 1.426 90 I CB 0.016 38.040 38.000 0.041 0.000 1.381 90 I HN 0.139 nan 8.210 nan 0.000 0.571 91 K N 5.766 126.182 120.400 0.027 0.000 2.382 91 K HA 0.044 4.363 4.320 -0.001 0.000 0.275 91 K C 0.063 176.675 176.600 0.020 0.000 1.009 91 K CA -0.283 56.017 56.287 0.020 0.000 0.970 91 K CB 0.565 33.077 32.500 0.019 0.000 0.934 91 K HN 0.535 nan 8.250 nan 0.000 0.479 92 E N 1.152 121.361 120.200 0.014 0.000 2.413 92 E HA -0.006 4.343 4.350 -0.001 0.000 0.263 92 E C 0.743 177.350 176.600 0.013 0.000 1.015 92 E CA 0.766 57.173 56.400 0.012 0.000 0.916 92 E CB 0.317 30.022 29.700 0.008 0.000 0.947 92 E HN 0.916 nan 8.360 nan 0.000 0.440 93 G N 1.619 110.426 108.800 0.012 0.000 2.175 93 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.265 93 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.265 93 G C 0.355 175.268 174.900 0.022 0.000 0.979 93 G CA 0.257 45.364 45.100 0.013 0.000 0.663 93 G HN 0.756 nan 8.290 nan 0.000 0.533 94 A N -0.767 122.070 122.820 0.030 0.000 2.287 94 A HA 0.819 5.139 4.320 -0.001 0.000 0.273 94 A C 0.823 178.446 177.584 0.065 0.000 1.091 94 A CA 0.278 52.344 52.037 0.048 0.000 0.817 94 A CB 0.952 19.982 19.000 0.050 0.000 1.069 94 A HN 1.859 nan 8.150 nan 0.000 0.492 95 V N -0.467 119.511 119.914 0.107 0.000 2.539 95 V HA 0.751 4.871 4.120 -0.001 0.000 0.292 95 V C -0.458 175.754 176.094 0.197 0.000 1.045 95 V CA -0.719 61.678 62.300 0.162 0.000 0.945 95 V CB 0.990 32.971 31.823 0.262 0.000 0.993 95 V HN 0.911 nan 8.190 nan 0.000 0.464 96 L N 5.537 126.876 121.223 0.195 0.000 2.365 96 L HA 0.805 5.145 4.340 -0.001 0.000 0.273 96 L C -0.451 176.606 176.870 0.312 0.000 1.000 96 L CA -0.594 54.376 54.840 0.217 0.000 0.819 96 L CB 1.909 44.039 42.059 0.118 0.000 1.284 96 L HN 0.870 nan 8.230 nan 0.000 0.418 97 M N 6.448 126.249 119.600 0.335 0.000 2.124 97 M HA 0.580 5.059 4.480 -0.001 0.000 0.280 97 M C -1.098 175.299 176.300 0.162 0.000 0.954 97 M CA -0.488 54.977 55.300 0.275 0.000 0.958 97 M CB 1.633 34.414 32.600 0.302 0.000 1.611 97 M HN 0.863 nan 8.290 nan 0.000 0.449 98 C N -0.845 118.525 119.300 0.117 0.000 3.249 98 C HA 0.453 4.913 4.460 -0.001 0.000 0.350 98 C C -0.590 174.490 174.990 0.149 0.000 1.431 98 C CA -0.945 58.176 59.018 0.173 0.000 1.209 98 C CB 1.792 29.639 27.740 0.178 0.000 1.546 98 C HN 0.928 nan 8.230 nan 0.000 0.450 99 H N 1.669 120.831 119.070 0.153 0.000 3.109 99 H HA 0.301 4.857 4.556 -0.001 0.000 0.266 99 H C 0.561 175.917 175.328 0.047 0.000 1.334 99 H CA 0.223 56.326 56.048 0.092 0.000 1.456 99 H CB 0.747 30.596 29.762 0.145 0.000 1.587 99 H HN 0.686 nan 8.280 nan 0.000 0.500 100 L N 4.098 125.357 121.223 0.061 0.000 2.217 100 L HA 0.072 4.411 4.340 -0.001 0.000 0.211 100 L C 1.818 178.750 176.870 0.104 0.000 1.107 100 L CA 1.533 56.416 54.840 0.070 0.000 0.783 100 L CB -0.310 41.746 42.059 -0.004 0.000 0.919 100 L HN 0.958 nan 8.230 nan 0.000 0.442 101 G N -1.467 107.390 108.800 0.094 0.000 2.305 101 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.287 101 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.287 101 G C 1.257 176.177 174.900 0.034 0.000 1.036 101 G CA 0.828 45.992 45.100 0.106 0.000 0.887 101 G HN 0.717 nan 8.290 nan 0.000 0.505 102 A N -0.413 122.396 122.820 -0.018 0.000 1.884 102 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 102 A C 2.516 180.105 177.584 0.007 0.000 1.197 102 A CA 1.943 53.970 52.037 -0.017 0.000 0.637 102 A CB -0.353 18.608 19.000 -0.063 0.000 0.827 102 A HN 0.926 nan 8.150 nan 0.000 0.450 103 L N -0.470 120.759 121.223 0.009 0.000 2.141 103 L HA -0.118 4.222 4.340 -0.001 0.000 0.209 103 L C 2.582 179.469 176.870 0.028 0.000 1.094 103 L CA 1.729 56.586 54.840 0.029 0.000 0.763 103 L CB -0.636 41.442 42.059 0.031 0.000 0.908 103 L HN 0.703 nan 8.230 nan 0.000 0.437 104 T N -4.896 109.675 114.554 0.029 0.000 3.069 104 T HA 0.119 4.469 4.350 -0.001 0.000 0.252 104 T C 0.723 175.441 174.700 0.029 0.000 1.053 104 T CA -0.219 61.899 62.100 0.030 0.000 0.964 104 T CB 0.005 68.895 68.868 0.037 0.000 1.005 104 T HN 0.151 nan 8.240 nan 0.000 0.532 105 N N 1.376 120.093 118.700 0.029 0.000 2.733 105 N HA 0.298 5.038 4.740 -0.001 0.000 0.271 105 N C 0.514 176.037 175.510 0.022 0.000 1.720 105 N CA -0.309 52.757 53.050 0.027 0.000 0.803 105 N CB 1.106 39.614 38.487 0.034 0.000 1.208 105 N HN 0.255 nan 8.380 nan 0.000 0.498 106 R N 0.430 120.942 120.500 0.020 0.000 2.115 106 R HA -0.010 4.329 4.340 -0.001 0.000 0.226 106 R C -0.777 175.532 176.300 0.015 0.000 1.100 106 R CA 0.951 57.062 56.100 0.018 0.000 0.980 106 R CB -0.698 29.613 30.300 0.019 0.000 0.875 106 R HN 0.215 nan 8.270 nan 0.000 0.445 107 P HA -0.105 nan 4.420 nan 0.000 0.218 107 P C 1.298 178.605 177.300 0.012 0.000 1.148 107 P CA 1.009 64.117 63.100 0.012 0.000 0.822 107 P CB 0.076 31.783 31.700 0.012 0.000 0.784 108 V N -0.841 119.081 119.914 0.014 0.000 2.548 108 V HA -0.154 3.966 4.120 -0.001 0.000 0.249 108 V C 2.424 178.525 176.094 0.010 0.000 1.055 108 V CA 1.418 63.727 62.300 0.015 0.000 1.065 108 V CB -1.057 30.779 31.823 0.020 0.000 0.681 108 V HN -0.022 nan 8.190 nan 0.000 0.462 109 V N 0.121 120.040 119.914 0.009 0.000 2.343 109 V HA -0.260 3.860 4.120 -0.001 0.000 0.247 109 V C 2.415 178.511 176.094 0.002 0.000 1.051 109 V CA 2.081 64.382 62.300 0.002 0.000 1.036 109 V CB -0.568 31.259 31.823 0.006 0.000 0.654 109 V HN 0.618 nan 8.190 nan 0.000 0.451 110 E N 0.259 120.463 120.200 0.006 0.000 2.047 110 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 110 E C 2.377 178.980 176.600 0.004 0.000 0.987 110 E CA 1.201 57.604 56.400 0.005 0.000 0.799 110 E CB -0.412 29.293 29.700 0.007 0.000 0.752 110 E HN 0.570 nan 8.360 nan 0.000 0.449 111 A N 1.462 124.286 122.820 0.006 0.000 1.903 111 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 111 A C 2.229 179.816 177.584 0.006 0.000 1.191 111 A CA 1.516 53.557 52.037 0.007 0.000 0.638 111 A CB -0.882 18.124 19.000 0.010 0.000 0.823 111 A HN 0.152 nan 8.150 nan 0.000 0.451 112 L N -1.201 120.024 121.223 0.005 0.000 2.027 112 L HA -0.157 4.183 4.340 -0.001 0.000 0.206 112 L C 2.846 179.713 176.870 -0.005 0.000 1.074 112 L CA 1.782 56.623 54.840 0.001 0.000 0.745 112 L CB -1.013 41.044 42.059 -0.003 0.000 0.898 112 L HN 0.364 nan 8.230 nan 0.000 0.433 113 T N -0.282 114.268 114.554 -0.007 0.000 2.699 113 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 113 T C 1.863 176.561 174.700 -0.003 0.000 1.036 113 T CA 1.437 63.532 62.100 -0.008 0.000 1.147 113 T CB -0.159 68.706 68.868 -0.005 0.000 0.862 113 T HN 0.277 nan 8.240 nan 0.000 0.446 114 K N 0.503 120.903 120.400 0.000 0.000 2.209 114 K HA 0.004 4.323 4.320 -0.001 0.000 0.204 114 K C 2.178 178.780 176.600 0.003 0.000 1.048 114 K CA 0.856 57.145 56.287 0.002 0.000 0.940 114 K CB -0.035 32.467 32.500 0.004 0.000 0.729 114 K HN 0.244 nan 8.250 nan 0.000 0.451 115 R N 0.586 121.087 120.500 0.003 0.000 2.317 115 R HA 0.076 4.415 4.340 -0.001 0.000 0.208 115 R C -0.300 176.002 176.300 0.003 0.000 0.914 115 R CA 0.033 56.136 56.100 0.004 0.000 1.060 115 R CB 0.429 30.733 30.300 0.008 0.000 1.015 115 R HN -0.024 nan 8.270 nan 0.000 0.498 116 K N 0.371 120.770 120.400 -0.001 0.000 3.129 116 K HA -0.165 4.155 4.320 -0.001 0.000 0.273 116 K C -0.301 176.294 176.600 -0.008 0.000 1.123 116 K CA 0.727 57.011 56.287 -0.005 0.000 0.800 116 K CB -1.938 30.561 32.500 -0.001 0.000 1.238 116 K HN 0.194 nan 8.250 nan 0.000 0.492 117 I N 1.535 122.099 120.570 -0.010 0.000 2.441 117 I HA 0.058 4.228 4.170 -0.001 0.000 0.287 117 I C 0.855 176.943 176.117 -0.047 0.000 1.049 117 I CA 0.089 61.382 61.300 -0.012 0.000 1.381 117 I CB 0.857 38.857 38.000 0.001 0.000 1.409 117 I HN -0.071 nan 8.210 nan 0.000 0.523 118 T N 6.714 121.229 114.554 -0.066 0.000 2.782 118 T HA 0.442 4.792 4.350 -0.001 0.000 0.298 118 T C 0.371 174.907 174.700 -0.274 0.000 0.944 118 T CA -0.368 61.627 62.100 -0.175 0.000 1.001 118 T CB 0.239 69.015 68.868 -0.153 0.000 0.932 118 T HN 0.697 nan 8.240 nan 0.000 0.524 119 A N 4.253 126.899 122.820 -0.289 0.000 2.288 119 A HA 0.653 4.973 4.320 -0.001 0.000 0.320 119 A C -0.907 176.476 177.584 -0.335 0.000 1.217 119 A CA -0.686 51.224 52.037 -0.213 0.000 0.840 119 A CB 0.405 19.356 19.000 -0.082 0.000 1.179 119 A HN 0.805 nan 8.150 nan 0.000 0.504 120 Y N 1.576 121.896 120.300 0.034 0.000 2.341 120 Y HA 0.447 4.997 4.550 -0.001 0.000 0.340 120 Y C 0.874 176.716 175.900 -0.098 0.000 0.997 120 Y CA -0.185 57.907 58.100 -0.013 0.000 1.149 120 Y CB 1.607 40.120 38.460 0.089 0.000 1.171 120 Y HN 0.750 nan 8.280 nan 0.000 0.494 121 A N 5.410 128.207 122.820 -0.038 0.000 2.666 121 A HA 0.214 4.533 4.320 -0.001 0.000 0.312 121 A C 1.120 178.576 177.584 -0.215 0.000 1.471 121 A CA -0.533 51.426 52.037 -0.130 0.000 1.134 121 A CB -0.044 18.856 19.000 -0.167 0.000 1.129 121 A HN 0.876 nan 8.150 nan 0.000 0.539 122 M N 1.485 120.939 119.600 -0.245 0.000 2.267 122 M HA -0.163 4.317 4.480 -0.001 0.000 0.263 122 M C 2.151 178.249 176.300 -0.336 0.000 1.063 122 M CA 1.688 56.775 55.300 -0.355 0.000 1.090 122 M CB -0.865 31.531 32.600 -0.339 0.000 1.392 122 M HN 0.939 nan 8.290 nan 0.000 0.422 123 E N 0.698 120.677 120.200 -0.369 0.000 2.338 123 E HA -0.148 4.202 4.350 -0.001 0.000 0.197 123 E C 1.404 177.868 176.600 -0.226 0.000 1.007 123 E CA 0.914 57.103 56.400 -0.353 0.000 0.849 123 E CB -0.607 28.727 29.700 -0.609 0.000 0.774 123 E HN 0.532 nan 8.360 nan 0.000 0.506 124 L N 0.721 121.815 121.223 -0.216 0.000 2.685 124 L HA 0.274 4.614 4.340 -0.001 0.000 0.233 124 L C 0.857 177.640 176.870 -0.144 0.000 1.173 124 L CA -0.694 54.054 54.840 -0.152 0.000 0.961 124 L CB -0.277 41.693 42.059 -0.149 0.000 1.217 124 L HN 0.016 nan 8.230 nan 0.000 0.478 125 M N 2.619 122.106 119.600 -0.189 0.000 2.504 125 M HA 0.083 4.563 4.480 -0.001 0.000 0.378 125 M C -2.062 174.178 176.300 -0.100 0.000 1.706 125 M CA -1.468 53.723 55.300 -0.182 0.000 1.036 125 M CB -0.373 32.096 32.600 -0.219 0.000 2.129 125 M HN -0.180 nan 8.290 nan 0.000 0.474 126 P HA 0.051 nan 4.420 nan 0.000 0.266 126 P C -1.149 176.136 177.300 -0.026 0.000 1.193 126 P CA 0.086 63.169 63.100 -0.028 0.000 0.770 126 P CB 0.419 32.117 31.700 -0.003 0.000 0.836 127 A N 4.038 126.848 122.820 -0.018 0.000 2.906 127 A HA 0.425 4.744 4.320 -0.001 0.000 0.289 127 A C 0.449 178.027 177.584 -0.010 0.000 1.675 127 A CA -0.088 51.940 52.037 -0.016 0.000 1.372 127 A CB -1.467 17.526 19.000 -0.012 0.000 1.091 127 A HN 0.565 nan 8.150 nan 0.000 0.579 128 I N -2.737 117.827 120.570 -0.011 0.000 3.074 128 I HA 0.527 4.696 4.170 -0.001 0.000 0.310 128 I C 0.748 176.860 176.117 -0.009 0.000 1.153 128 I CA -0.861 60.436 61.300 -0.006 0.000 0.993 128 I CB 1.585 39.587 38.000 0.002 0.000 1.237 128 I HN 0.038 nan 8.210 nan 0.000 0.443 129 S N 1.380 117.076 115.700 -0.007 0.000 2.356 129 S HA -0.142 4.328 4.470 -0.001 0.000 0.223 129 S C 1.756 176.350 174.600 -0.010 0.000 1.032 129 S CA 1.947 60.141 58.200 -0.010 0.000 1.005 129 S CB -0.470 62.725 63.200 -0.009 0.000 0.867 129 S HN 0.815 nan 8.310 nan 0.000 0.449 130 R N 1.440 121.937 120.500 -0.005 0.000 2.189 130 R HA 0.159 4.499 4.340 -0.001 0.000 0.223 130 R C 1.703 178.004 176.300 0.000 0.000 1.092 130 R CA 1.208 57.305 56.100 -0.004 0.000 0.989 130 R CB -0.322 29.977 30.300 -0.002 0.000 0.876 130 R HN 0.310 nan 8.270 nan 0.000 0.457 131 A N 0.736 123.556 122.820 0.001 0.000 2.275 131 A HA 0.112 4.432 4.320 -0.001 0.000 0.212 131 A C 1.409 178.975 177.584 -0.030 0.000 1.201 131 A CA -0.216 51.821 52.037 -0.000 0.000 0.843 131 A CB 0.197 19.200 19.000 0.005 0.000 0.873 131 A HN 0.172 nan 8.150 nan 0.000 0.492 132 Q N 0.267 120.049 119.800 -0.030 0.000 2.245 132 Q HA -0.095 4.244 4.340 -0.001 0.000 0.201 132 Q C 2.222 178.192 176.000 -0.049 0.000 0.955 132 Q CA 1.640 57.419 55.803 -0.041 0.000 0.870 132 Q CB -0.592 28.128 28.738 -0.031 0.000 0.945 132 Q HN 0.790 nan 8.270 nan 0.000 0.461 133 S N -0.634 115.042 115.700 -0.039 0.000 2.515 133 S HA -0.019 4.450 4.470 -0.001 0.000 0.231 133 S C 1.738 176.300 174.600 -0.063 0.000 0.987 133 S CA 0.579 58.753 58.200 -0.043 0.000 0.936 133 S CB -0.143 63.041 63.200 -0.027 0.000 0.766 133 S HN 0.289 nan 8.310 nan 0.000 0.528 134 M N 0.887 120.448 119.600 -0.066 0.000 2.382 134 M HA 0.299 4.779 4.480 -0.001 0.000 0.247 134 M C -0.035 176.148 176.300 -0.196 0.000 1.104 134 M CA -0.016 55.221 55.300 -0.105 0.000 1.030 134 M CB -0.071 32.513 32.600 -0.027 0.000 1.424 134 M HN 0.090 nan 8.290 nan 0.000 0.486 135 D N 1.659 121.966 120.400 -0.155 0.000 2.336 135 D HA 0.141 4.781 4.640 -0.001 0.000 0.249 135 D C 1.181 177.375 176.300 -0.177 0.000 1.213 135 D CA -0.070 53.833 54.000 -0.162 0.000 0.870 135 D CB 0.732 41.471 40.800 -0.102 0.000 1.076 135 D HN 0.339 nan 8.370 nan 0.000 0.483 136 I N 1.188 121.616 120.570 -0.238 0.000 2.500 136 I HA -0.085 4.085 4.170 -0.001 0.000 0.252 136 I C 1.603 177.694 176.117 -0.043 0.000 1.142 136 I CA 0.418 61.580 61.300 -0.231 0.000 1.451 136 I CB -0.167 37.597 38.000 -0.393 0.000 1.093 136 I HN 0.339 nan 8.210 nan 0.000 0.430 137 L N 1.619 122.824 121.223 -0.029 0.000 2.017 137 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 137 L C 3.100 179.982 176.870 0.019 0.000 1.073 137 L CA 1.935 56.792 54.840 0.028 0.000 0.745 137 L CB -0.680 41.386 42.059 0.011 0.000 0.894 137 L HN 0.510 nan 8.230 nan 0.000 0.432 138 S N -0.266 115.428 115.700 -0.010 0.000 2.344 138 S HA -0.234 4.236 4.470 -0.001 0.000 0.217 138 S C 2.233 176.834 174.600 0.002 0.000 1.033 138 S CA 1.347 59.544 58.200 -0.004 0.000 1.017 138 S CB -0.997 62.192 63.200 -0.019 0.000 0.941 138 S HN 0.530 nan 8.310 nan 0.000 0.430 139 S N 2.122 117.813 115.700 -0.016 0.000 2.381 139 S HA -0.286 4.184 4.470 -0.001 0.000 0.230 139 S C 2.074 176.690 174.600 0.027 0.000 1.052 139 S CA 1.622 59.817 58.200 -0.007 0.000 1.068 139 S CB -0.872 62.307 63.200 -0.034 0.000 0.918 139 S HN 0.587 nan 8.310 nan 0.000 0.448 140 Q N 1.199 121.031 119.800 0.054 0.000 2.123 140 Q HA 0.049 4.389 4.340 -0.001 0.000 0.196 140 Q C 2.831 178.869 176.000 0.062 0.000 0.958 140 Q CA 1.550 57.401 55.803 0.080 0.000 0.841 140 Q CB -0.804 28.013 28.738 0.132 0.000 0.915 140 Q HN 0.869 nan 8.270 nan 0.000 0.455 141 S N 1.000 116.734 115.700 0.056 0.000 2.442 141 S HA -0.126 4.344 4.470 -0.001 0.000 0.236 141 S C 1.689 176.322 174.600 0.055 0.000 1.007 141 S CA 1.212 59.444 58.200 0.053 0.000 0.965 141 S CB -0.174 63.054 63.200 0.048 0.000 0.773 141 S HN 0.200 nan 8.310 nan 0.000 0.504 142 N N 1.678 120.406 118.700 0.047 0.000 2.120 142 N HA 0.015 4.754 4.740 -0.001 0.000 0.188 142 N C 1.595 177.150 175.510 0.074 0.000 1.024 142 N CA 1.153 54.233 53.050 0.049 0.000 0.852 142 N CB -0.534 37.968 38.487 0.025 0.000 1.003 142 N HN 0.275 nan 8.380 nan 0.000 0.424 143 L N 0.476 121.740 121.223 0.068 0.000 2.141 143 L HA 0.017 4.357 4.340 -0.001 0.000 0.209 143 L C 2.205 179.168 176.870 0.155 0.000 1.094 143 L CA 1.340 56.241 54.840 0.103 0.000 0.763 143 L CB -1.751 40.344 42.059 0.060 0.000 0.908 143 L HN 0.159 nan 8.230 nan 0.000 0.437 144 A N -0.018 122.862 122.820 0.100 0.000 1.933 144 A HA -0.074 4.246 4.320 -0.001 0.000 0.218 144 A C 2.455 180.090 177.584 0.084 0.000 1.175 144 A CA 1.541 53.627 52.037 0.083 0.000 0.628 144 A CB -0.987 18.049 19.000 0.061 0.000 0.814 144 A HN 0.413 nan 8.150 nan 0.000 0.444 145 G N -1.328 107.528 108.800 0.093 0.000 2.421 145 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.216 145 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.216 145 G C 1.554 176.509 174.900 0.092 0.000 1.171 145 G CA 1.311 46.464 45.100 0.087 0.000 0.775 145 G HN 0.643 nan 8.290 nan 0.000 0.543 146 Y N 1.519 121.828 120.300 0.015 0.000 2.097 146 Y HA -0.144 4.406 4.550 -0.001 0.000 0.282 146 Y C 2.899 178.798 175.900 -0.002 0.000 1.152 146 Y CA 2.327 60.429 58.100 0.003 0.000 1.136 146 Y CB -0.246 38.212 38.460 -0.004 0.000 0.975 146 Y HN 0.142 nan 8.280 nan 0.000 0.498 147 R N 1.027 121.483 120.500 -0.073 0.000 2.115 147 R HA -0.048 4.292 4.340 -0.001 0.000 0.230 147 R C 2.248 178.467 176.300 -0.135 0.000 1.111 147 R CA 1.302 57.301 56.100 -0.168 0.000 0.976 147 R CB -1.006 29.313 30.300 0.032 0.000 0.870 147 R HN 0.489 nan 8.270 nan 0.000 0.445 148 A N -0.523 122.266 122.820 -0.052 0.000 2.019 148 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 148 A C 2.048 179.615 177.584 -0.028 0.000 1.164 148 A CA 1.684 53.717 52.037 -0.007 0.000 0.644 148 A CB -0.283 18.734 19.000 0.029 0.000 0.805 148 A HN 0.189 nan 8.150 nan 0.000 0.449 149 V N -0.171 119.679 119.914 -0.107 0.000 2.599 149 V HA -0.081 4.039 4.120 -0.001 0.000 0.245 149 V C 2.244 178.207 176.094 -0.219 0.000 1.046 149 V CA 0.860 63.090 62.300 -0.116 0.000 1.065 149 V CB -0.475 31.267 31.823 -0.135 0.000 0.703 149 V HN 0.452 nan 8.190 nan 0.000 0.464 150 I N 0.767 121.139 120.570 -0.330 0.000 2.394 150 I HA -0.161 4.008 4.170 -0.001 0.000 0.251 150 I C 2.131 178.195 176.117 -0.089 0.000 1.136 150 I CA 1.526 62.655 61.300 -0.285 0.000 1.425 150 I CB -1.066 36.689 38.000 -0.409 0.000 1.079 150 I HN 0.329 nan 8.210 nan 0.000 0.425 151 D N 0.772 121.146 120.400 -0.043 0.000 2.149 151 D HA -0.072 4.567 4.640 -0.001 0.000 0.201 151 D C 2.279 178.666 176.300 0.145 0.000 0.972 151 D CA 1.304 55.356 54.000 0.087 0.000 0.835 151 D CB -0.422 40.452 40.800 0.123 0.000 0.966 151 D HN 0.311 nan 8.370 nan 0.000 0.476 152 G N 1.091 109.950 108.800 0.097 0.000 2.545 152 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 152 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 152 G C 1.727 176.779 174.900 0.254 0.000 1.218 152 G CA 1.638 46.826 45.100 0.147 0.000 0.787 152 G HN 0.389 nan 8.290 nan 0.000 0.571 153 A N -0.543 122.398 122.820 0.202 0.000 1.978 153 A HA -0.071 4.249 4.320 -0.001 0.000 0.220 153 A C 2.248 179.984 177.584 0.254 0.000 1.170 153 A CA 1.835 54.024 52.037 0.253 0.000 0.636 153 A CB -0.607 18.259 19.000 -0.223 0.000 0.810 153 A HN 0.515 nan 8.150 nan 0.000 0.448 154 Y N 0.391 120.742 120.300 0.086 0.000 2.263 154 Y HA -0.089 4.461 4.550 -0.000 0.000 0.292 154 Y C 2.085 178.053 175.900 0.114 0.000 1.130 154 Y CA 1.826 59.973 58.100 0.078 0.000 1.179 154 Y CB 0.191 38.676 38.460 0.043 0.000 0.998 154 Y HN 0.308 nan 8.280 nan 0.000 0.532 155 E N -0.689 119.634 120.200 0.206 0.000 2.385 155 E HA -0.059 4.291 4.350 -0.001 0.000 0.194 155 E C -0.229 176.482 176.600 0.185 0.000 1.013 155 E CA 0.092 56.576 56.400 0.139 0.000 0.866 155 E CB -0.331 29.468 29.700 0.164 0.000 0.832 155 E HN 0.196 nan 8.360 nan 0.000 0.500 156 F N 1.535 121.518 119.950 0.056 0.000 2.472 156 F HA 0.245 4.772 4.527 -0.001 0.000 0.364 156 F C 1.133 176.944 175.800 0.019 0.000 1.090 156 F CA -1.034 57.004 58.000 0.062 0.000 1.188 156 F CB 0.945 40.042 39.000 0.161 0.000 1.105 156 F HN -0.139 nan 8.300 nan 0.000 0.536 157 A N 6.797 129.496 122.820 -0.202 0.000 2.278 157 A HA 0.201 4.520 4.320 -0.001 0.000 0.212 157 A C 1.032 178.346 177.584 -0.450 0.000 1.213 157 A CA 0.057 51.935 52.037 -0.263 0.000 0.840 157 A CB -0.304 18.593 19.000 -0.172 0.000 0.866 157 A HN 0.725 nan 8.150 nan 0.000 0.489 158 R N -1.340 118.585 120.500 -0.958 0.000 2.856 158 R HA 0.694 5.034 4.340 -0.001 0.000 0.258 158 R C -0.149 175.926 176.300 -0.374 0.000 1.066 158 R CA -0.255 55.365 56.100 -0.800 0.000 1.045 158 R CB 1.402 31.003 30.300 -1.165 0.000 1.178 158 R HN 0.226 nan 8.270 nan 0.000 0.499 159 A N 0.678 123.438 122.820 -0.100 0.000 2.293 159 A HA 0.336 4.655 4.320 -0.001 0.000 0.302 159 A C 0.020 177.777 177.584 0.289 0.000 1.119 159 A CA -0.388 51.732 52.037 0.138 0.000 0.823 159 A CB 0.234 19.282 19.000 0.080 0.000 1.097 159 A HN 0.699 nan 8.150 nan 0.000 0.491 160 F N 1.297 121.341 119.950 0.157 0.000 2.098 160 F HA 0.071 4.598 4.527 -0.001 0.000 0.294 160 F C -1.092 174.768 175.800 0.099 0.000 1.107 160 F CA 0.876 58.970 58.000 0.157 0.000 1.234 160 F CB -0.612 38.456 39.000 0.114 0.000 1.002 160 F HN 0.325 nan 8.300 nan 0.000 0.472 161 P HA 0.062 nan 4.420 nan 0.000 0.276 161 P C -0.367 176.987 177.300 0.091 0.000 1.244 161 P CA -0.306 62.883 63.100 0.148 0.000 0.801 161 P CB 0.941 32.716 31.700 0.124 0.000 1.006 162 M N 2.464 122.103 119.600 0.065 0.000 2.242 162 M HA 0.346 4.826 4.480 -0.001 0.000 0.344 162 M C -0.482 175.841 176.300 0.038 0.000 1.140 162 M CA 0.368 55.693 55.300 0.043 0.000 1.160 162 M CB 0.099 32.719 32.600 0.033 0.000 1.491 162 M HN 0.321 nan 8.290 nan 0.000 0.459 163 M N 5.400 125.017 119.600 0.028 0.000 2.265 163 M HA 0.325 4.805 4.480 -0.001 0.000 0.251 163 M C -1.602 174.708 176.300 0.016 0.000 1.005 163 M CA -0.385 54.929 55.300 0.024 0.000 0.998 163 M CB 1.880 34.495 32.600 0.026 0.000 2.070 163 M HN 0.604 nan 8.290 nan 0.000 0.476 164 M N 2.780 122.388 119.600 0.014 0.000 2.188 164 M HA 0.572 5.052 4.480 -0.001 0.000 0.357 164 M C -0.538 175.767 176.300 0.009 0.000 1.204 164 M CA -0.029 55.277 55.300 0.010 0.000 1.095 164 M CB 1.051 33.656 32.600 0.010 0.000 1.604 164 M HN 0.551 nan 8.290 nan 0.000 0.464 165 T N 0.938 115.496 114.554 0.006 0.000 2.894 165 T HA 0.472 4.822 4.350 -0.001 0.000 0.309 165 T C 0.931 175.632 174.700 0.003 0.000 1.208 165 T CA -0.325 61.777 62.100 0.005 0.000 1.016 165 T CB 2.081 70.951 68.868 0.004 0.000 1.192 165 T HN 0.687 nan 8.240 nan 0.000 0.491 166 A N 1.445 124.267 122.820 0.002 0.000 1.917 166 A HA 0.052 4.372 4.320 -0.001 0.000 0.219 166 A C 2.099 179.683 177.584 -0.000 0.000 1.182 166 A CA 2.126 54.164 52.037 0.001 0.000 0.633 166 A CB -0.852 18.148 19.000 0.001 0.000 0.819 166 A HN 1.013 nan 8.150 nan 0.000 0.448 167 A N -1.432 121.387 122.820 -0.001 0.000 2.276 167 A HA 0.487 4.807 4.320 -0.001 0.000 0.212 167 A C 1.200 178.782 177.584 -0.004 0.000 1.230 167 A CA 1.145 53.180 52.037 -0.003 0.000 0.844 167 A CB -1.269 17.728 19.000 -0.005 0.000 0.860 167 A HN 2.148 nan 8.150 nan 0.000 0.486 168 G N -1.918 106.881 108.800 -0.002 0.000 2.462 168 G HA2 0.052 4.012 3.960 -0.001 0.000 0.685 168 G HA3 0.052 4.012 3.960 -0.001 0.000 0.685 168 G C -0.427 174.473 174.900 -0.000 0.000 1.295 168 G CA -0.467 44.631 45.100 -0.002 0.000 0.941 168 G HN 0.493 nan 8.290 nan 0.000 0.554 169 T N 0.976 115.530 114.554 0.000 0.000 2.727 169 T HA 0.463 4.813 4.350 -0.001 0.000 0.298 169 T C 0.726 175.427 174.700 0.001 0.000 0.942 169 T CA -0.226 61.876 62.100 0.003 0.000 0.997 169 T CB 1.202 70.072 68.868 0.003 0.000 0.917 169 T HN 0.885 nan 8.240 nan 0.000 0.487 170 V N 8.181 128.098 119.914 0.003 0.000 2.446 170 V HA 0.154 4.273 4.120 -0.001 0.000 0.276 170 V C -1.871 174.228 176.094 0.010 0.000 1.030 170 V CA -1.490 60.812 62.300 0.003 0.000 1.033 170 V CB 0.097 31.924 31.823 0.007 0.000 0.993 170 V HN 0.671 nan 8.190 nan 0.000 0.477 171 P HA 0.279 nan 4.420 nan 0.000 0.277 171 P C -2.606 174.705 177.300 0.019 0.000 1.240 171 P CA -1.751 61.355 63.100 0.010 0.000 0.798 171 P CB 0.050 31.753 31.700 0.006 0.000 0.979 172 P HA 0.133 nan 4.420 nan 0.000 0.276 172 P C -0.537 176.757 177.300 -0.009 0.000 1.230 172 P CA -0.108 63.004 63.100 0.019 0.000 0.776 172 P CB 0.438 32.149 31.700 0.018 0.000 0.888 173 A N 4.168 126.962 122.820 -0.043 0.000 2.466 173 A HA 0.156 4.475 4.320 -0.001 0.000 0.238 173 A C 0.480 177.948 177.584 -0.193 0.000 1.074 173 A CA -0.099 51.857 52.037 -0.135 0.000 0.774 173 A CB -0.185 18.581 19.000 -0.390 0.000 1.015 173 A HN 0.612 nan 8.150 nan 0.000 0.498 174 R N 1.773 122.163 120.500 -0.183 0.000 2.310 174 R HA 0.531 4.871 4.340 -0.001 0.000 0.324 174 R C -1.558 174.632 176.300 -0.184 0.000 0.955 174 R CA -0.310 55.706 56.100 -0.140 0.000 0.830 174 R CB 0.965 31.218 30.300 -0.079 0.000 1.154 174 R HN 0.508 nan 8.270 nan 0.000 0.458 175 V N 6.105 125.932 119.914 -0.146 0.000 2.483 175 V HA 0.418 4.538 4.120 -0.001 0.000 0.295 175 V C -0.259 175.797 176.094 -0.062 0.000 1.035 175 V CA -0.843 61.390 62.300 -0.112 0.000 0.896 175 V CB 1.759 33.550 31.823 -0.053 0.000 0.986 175 V HN 0.672 nan 8.190 nan 0.000 0.447 176 L N 5.183 126.382 121.223 -0.041 0.000 2.372 176 L HA 0.600 4.939 4.340 -0.001 0.000 0.274 176 L C -1.066 175.788 176.870 -0.027 0.000 0.988 176 L CA -0.516 54.277 54.840 -0.078 0.000 0.833 176 L CB 1.816 43.813 42.059 -0.103 0.000 1.236 176 L HN 0.448 nan 8.230 nan 0.000 0.410 177 V N 5.247 125.120 119.914 -0.068 0.000 2.350 177 V HA 0.303 4.422 4.120 -0.001 0.000 0.276 177 V C -0.276 175.790 176.094 -0.046 0.000 1.028 177 V CA -0.280 62.037 62.300 0.028 0.000 0.860 177 V CB 1.104 32.952 31.823 0.043 0.000 0.990 177 V HN 0.428 nan 8.190 nan 0.000 0.453 178 F N 3.003 122.968 119.950 0.025 0.000 2.424 178 F HA 0.627 5.153 4.527 -0.001 0.000 0.356 178 F C 1.038 176.861 175.800 0.039 0.000 1.110 178 F CA 0.105 58.121 58.000 0.028 0.000 1.161 178 F CB 1.167 40.176 39.000 0.015 0.000 1.115 178 F HN 0.749 nan 8.300 nan 0.000 0.507 179 G N 2.620 111.524 108.800 0.173 0.000 3.316 179 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.445 179 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.445 179 G C -0.568 174.392 174.900 0.100 0.000 1.002 179 G CA -0.816 44.363 45.100 0.133 0.000 0.818 179 G HN 0.634 nan 8.290 nan 0.000 0.404 180 V N 2.207 122.172 119.914 0.085 0.000 3.432 180 V HA 0.708 4.828 4.120 -0.001 0.000 0.304 180 V C 1.509 177.631 176.094 0.046 0.000 1.107 180 V CA 1.354 63.688 62.300 0.056 0.000 1.153 180 V CB 1.186 33.027 31.823 0.029 0.000 1.072 180 V HN 2.162 nan 8.190 nan 0.000 0.485 181 G N 0.288 109.107 108.800 0.031 0.000 2.342 181 G HA2 0.380 4.339 3.960 -0.001 0.000 0.297 181 G HA3 0.380 4.339 3.960 -0.001 0.000 0.297 181 G C -0.062 174.852 174.900 0.023 0.000 1.313 181 G CA 0.070 45.188 45.100 0.032 0.000 0.830 181 G HN 0.418 nan 8.290 nan 0.000 0.506 182 V N 0.883 120.811 119.914 0.023 0.000 2.270 182 V HA 0.008 4.128 4.120 -0.001 0.000 0.245 182 V C 3.251 179.368 176.094 0.037 0.000 1.043 182 V CA 3.189 65.503 62.300 0.023 0.000 1.014 182 V CB -1.029 30.805 31.823 0.019 0.000 0.645 182 V HN 1.060 nan 8.190 nan 0.000 0.447 183 A N 0.627 123.474 122.820 0.045 0.000 1.858 183 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 183 A C 2.439 180.060 177.584 0.061 0.000 1.190 183 A CA 2.103 54.175 52.037 0.057 0.000 0.617 183 A CB -1.460 17.575 19.000 0.058 0.000 0.827 183 A HN 0.523 nan 8.150 nan 0.000 0.443 184 G N -0.189 108.646 108.800 0.060 0.000 2.476 184 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.218 184 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.218 184 G C 1.562 176.495 174.900 0.055 0.000 1.164 184 G CA 1.160 46.298 45.100 0.064 0.000 0.768 184 G HN 0.430 nan 8.290 nan 0.000 0.560 185 L N -0.181 121.068 121.223 0.042 0.000 2.131 185 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 185 L C 2.893 179.790 176.870 0.045 0.000 1.092 185 L CA 1.211 56.072 54.840 0.034 0.000 0.759 185 L CB -0.218 41.851 42.059 0.018 0.000 0.903 185 L HN 0.243 nan 8.230 nan 0.000 0.435 186 Q N 0.027 119.860 119.800 0.055 0.000 2.187 186 Q HA -0.054 4.286 4.340 -0.001 0.000 0.199 186 Q C 2.129 178.182 176.000 0.088 0.000 0.957 186 Q CA 1.549 57.397 55.803 0.075 0.000 0.857 186 Q CB -0.079 28.711 28.738 0.086 0.000 0.929 186 Q HN 0.407 nan 8.270 nan 0.000 0.453 187 A N 0.318 123.183 122.820 0.075 0.000 1.873 187 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 187 A C 2.113 179.740 177.584 0.072 0.000 1.186 187 A CA 1.363 53.442 52.037 0.069 0.000 0.616 187 A CB -0.756 18.285 19.000 0.069 0.000 0.823 187 A HN 0.436 nan 8.150 nan 0.000 0.442 188 I N -0.081 120.529 120.570 0.066 0.000 2.113 188 I HA -0.373 3.797 4.170 -0.001 0.000 0.242 188 I C 2.991 179.148 176.117 0.066 0.000 1.064 188 I CA 1.442 62.780 61.300 0.062 0.000 1.320 188 I CB -0.338 37.692 38.000 0.050 0.000 1.028 188 I HN 0.379 nan 8.210 nan 0.000 0.406 189 A N -0.033 122.825 122.820 0.063 0.000 1.902 189 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 189 A C 2.366 179.995 177.584 0.075 0.000 1.181 189 A CA 2.407 54.481 52.037 0.062 0.000 0.623 189 A CB -1.076 17.957 19.000 0.056 0.000 0.818 189 A HN 0.425 nan 8.150 nan 0.000 0.443 190 T N 0.262 114.867 114.554 0.086 0.000 2.821 190 T HA 0.054 4.403 4.350 -0.001 0.000 0.267 190 T C 2.208 176.939 174.700 0.051 0.000 1.046 190 T CA 1.368 63.515 62.100 0.078 0.000 1.139 190 T CB -0.394 68.518 68.868 0.073 0.000 0.871 190 T HN 0.572 nan 8.240 nan 0.000 0.454 191 A N 1.652 124.527 122.820 0.091 0.000 1.902 191 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 191 A C 2.227 179.925 177.584 0.190 0.000 1.181 191 A CA 1.798 53.953 52.037 0.195 0.000 0.623 191 A CB -0.459 18.674 19.000 0.222 0.000 0.818 191 A HN 0.314 nan 8.150 nan 0.000 0.443 192 K N 0.026 120.498 120.400 0.120 0.000 2.097 192 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 192 K C 2.092 178.746 176.600 0.090 0.000 1.050 192 K CA 1.330 57.675 56.287 0.097 0.000 0.938 192 K CB -0.321 32.221 32.500 0.069 0.000 0.718 192 K HN 0.452 nan 8.250 nan 0.000 0.442 193 R N -0.222 120.325 120.500 0.078 0.000 2.117 193 R HA -0.098 4.242 4.340 -0.001 0.000 0.243 193 R C 2.177 178.517 176.300 0.067 0.000 1.143 193 R CA 1.639 57.777 56.100 0.064 0.000 0.968 193 R CB -0.374 29.962 30.300 0.059 0.000 0.863 193 R HN 0.204 nan 8.270 nan 0.000 0.444 194 L N -1.292 119.978 121.223 0.079 0.000 2.313 194 L HA 0.018 4.357 4.340 -0.001 0.000 0.214 194 L C 1.201 178.175 176.870 0.173 0.000 1.119 194 L CA 0.930 55.822 54.840 0.088 0.000 0.809 194 L CB 0.154 42.200 42.059 -0.023 0.000 0.933 194 L HN 0.591 nan 8.230 nan 0.000 0.449 195 G N -0.871 108.036 108.800 0.178 0.000 2.159 195 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.170 195 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.170 195 G C 0.213 175.199 174.900 0.143 0.000 1.007 195 G CA -0.173 45.014 45.100 0.144 0.000 0.672 195 G HN 0.434 nan 8.290 nan 0.000 0.507 196 A N -0.144 122.788 122.820 0.187 0.000 2.322 196 A HA 0.741 5.061 4.320 -0.001 0.000 0.269 196 A C 0.642 178.250 177.584 0.039 0.000 1.094 196 A CA 0.047 52.126 52.037 0.070 0.000 0.807 196 A CB 1.000 20.007 19.000 0.011 0.000 1.047 196 A HN 1.159 nan 8.150 nan 0.000 0.487 197 V N 2.554 122.464 119.914 -0.006 0.000 2.405 197 V HA 0.240 4.359 4.120 -0.001 0.000 0.264 197 V C 0.040 176.126 176.094 -0.014 0.000 1.048 197 V CA -0.214 62.084 62.300 -0.004 0.000 0.966 197 V CB 0.470 32.284 31.823 -0.014 0.000 1.015 197 V HN 0.525 nan 8.190 nan 0.000 0.477 198 V N 7.069 126.986 119.914 0.006 0.000 2.427 198 V HA 0.531 4.650 4.120 -0.001 0.000 0.286 198 V C 0.174 176.264 176.094 -0.006 0.000 1.034 198 V CA -0.345 61.959 62.300 0.006 0.000 0.893 198 V CB 1.521 33.364 31.823 0.034 0.000 0.982 198 V HN 0.802 nan 8.190 nan 0.000 0.452 199 M N 3.135 122.717 119.600 -0.030 0.000 2.690 199 M HA 0.903 5.383 4.480 -0.001 0.000 0.302 199 M C -0.547 175.714 176.300 -0.066 0.000 1.234 199 M CA -0.703 54.569 55.300 -0.047 0.000 0.853 199 M CB 2.568 35.118 32.600 -0.083 0.000 1.748 199 M HN 0.738 nan 8.290 nan 0.000 0.469 200 A N 0.640 123.420 122.820 -0.067 0.000 2.594 200 A HA 0.775 5.094 4.320 -0.001 0.000 0.296 200 A C -1.197 176.354 177.584 -0.056 0.000 1.061 200 A CA -0.556 51.453 52.037 -0.046 0.000 0.689 200 A CB 2.064 21.109 19.000 0.076 0.000 1.280 200 A HN 0.723 nan 8.150 nan 0.000 0.406 201 T N -0.150 114.350 114.554 -0.090 0.000 2.883 201 T HA 0.725 5.074 4.350 -0.001 0.000 0.301 201 T C -2.226 172.533 174.700 0.098 0.000 1.158 201 T CA -0.155 61.898 62.100 -0.079 0.000 1.007 201 T CB 1.913 70.627 68.868 -0.256 0.000 1.186 201 T HN 1.092 nan 8.240 nan 0.000 0.499 202 D N 0.740 121.253 120.400 0.190 0.000 2.720 202 D HA 0.198 4.838 4.640 -0.001 0.000 0.239 202 D C 0.630 177.037 176.300 0.177 0.000 1.218 202 D CA -0.442 53.666 54.000 0.181 0.000 0.748 202 D CB 1.343 42.252 40.800 0.183 0.000 1.387 202 D HN 0.295 nan 8.370 nan 0.000 0.438 203 V N 1.800 121.784 119.914 0.117 0.000 3.141 203 V HA 0.060 4.179 4.120 -0.001 0.000 0.265 203 V C 1.236 177.387 176.094 0.095 0.000 1.126 203 V CA 0.933 63.290 62.300 0.095 0.000 1.141 203 V CB -0.545 31.318 31.823 0.066 0.000 0.743 203 V HN 0.284 nan 8.190 nan 0.000 0.492 204 R N 0.107 120.662 120.500 0.091 0.000 2.265 204 R HA 0.471 4.811 4.340 -0.001 0.000 0.314 204 R C 1.358 177.685 176.300 0.046 0.000 1.053 204 R CA 0.401 56.531 56.100 0.051 0.000 0.931 204 R CB 1.227 31.537 30.300 0.018 0.000 1.024 204 R HN 0.293 nan 8.270 nan 0.000 0.457 205 A N 3.419 126.261 122.820 0.036 0.000 1.858 205 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 205 A C 1.997 179.535 177.584 -0.077 0.000 1.190 205 A CA 1.868 53.924 52.037 0.031 0.000 0.617 205 A CB -0.545 18.474 19.000 0.031 0.000 0.827 205 A HN 0.803 nan 8.150 nan 0.000 0.443 206 A N -1.021 121.750 122.820 -0.083 0.000 2.259 206 A HA 0.020 4.340 4.320 -0.001 0.000 0.212 206 A C 1.997 179.455 177.584 -0.210 0.000 1.178 206 A CA 1.856 53.822 52.037 -0.119 0.000 0.734 206 A CB -1.172 17.784 19.000 -0.073 0.000 0.774 206 A HN 0.476 nan 8.150 nan 0.000 0.481 207 T N 0.106 114.472 114.554 -0.313 0.000 2.635 207 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 207 T C 1.932 176.220 174.700 -0.686 0.000 1.040 207 T CA 1.769 63.582 62.100 -0.478 0.000 1.156 207 T CB -0.231 68.282 68.868 -0.591 0.000 0.863 207 T HN 0.717 nan 8.240 nan 0.000 0.430 208 K N 0.780 120.530 120.400 -1.084 0.000 2.090 208 K HA -0.348 3.971 4.320 -0.001 0.000 0.218 208 K C 2.158 178.573 176.600 -0.307 0.000 1.055 208 K CA 2.348 58.180 56.287 -0.758 0.000 0.941 208 K CB -0.238 32.078 32.500 -0.306 0.000 0.722 208 K HN 0.251 nan 8.250 nan 0.000 0.458 209 E N 0.562 120.629 120.200 -0.221 0.000 2.026 209 E HA -0.254 4.096 4.350 -0.001 0.000 0.206 209 E C 2.112 178.651 176.600 -0.101 0.000 1.028 209 E CA 2.354 58.681 56.400 -0.120 0.000 0.845 209 E CB -0.195 29.447 29.700 -0.097 0.000 0.772 209 E HN 0.443 nan 8.360 nan 0.000 0.462 210 Q N -0.680 119.053 119.800 -0.112 0.000 2.170 210 Q HA -0.129 4.211 4.340 -0.001 0.000 0.203 210 Q C 2.284 178.248 176.000 -0.060 0.000 0.976 210 Q CA 1.414 57.173 55.803 -0.074 0.000 0.858 210 Q CB 0.010 28.706 28.738 -0.070 0.000 0.907 210 Q HN 0.203 nan 8.270 nan 0.000 0.433 211 V N 1.213 121.073 119.914 -0.091 0.000 2.270 211 V HA -0.248 3.872 4.120 -0.001 0.000 0.245 211 V C 1.921 178.013 176.094 -0.003 0.000 1.043 211 V CA 1.955 64.234 62.300 -0.035 0.000 1.014 211 V CB -0.464 31.342 31.823 -0.029 0.000 0.645 211 V HN 0.358 nan 8.190 nan 0.000 0.447 212 E N 0.226 120.418 120.200 -0.014 0.000 2.153 212 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 212 E C 2.368 178.969 176.600 0.000 0.000 0.988 212 E CA 1.392 57.797 56.400 0.007 0.000 0.811 212 E CB -0.197 29.507 29.700 0.007 0.000 0.746 212 E HN 0.543 nan 8.360 nan 0.000 0.466 213 S N 1.251 116.942 115.700 -0.014 0.000 2.370 213 S HA -0.125 4.345 4.470 -0.001 0.000 0.226 213 S C 1.942 176.543 174.600 0.001 0.000 1.033 213 S CA 0.906 59.101 58.200 -0.009 0.000 1.011 213 S CB -0.159 63.030 63.200 -0.018 0.000 0.852 213 S HN 0.225 nan 8.310 nan 0.000 0.457 214 L N 0.772 121.998 121.223 0.005 0.000 2.552 214 L HA 0.161 4.501 4.340 -0.001 0.000 0.227 214 L C 1.487 178.371 176.870 0.022 0.000 1.146 214 L CA 0.373 55.222 54.840 0.016 0.000 0.858 214 L CB -0.787 41.285 42.059 0.020 0.000 0.969 214 L HN 0.503 nan 8.230 nan 0.000 0.451 215 G N 0.468 109.280 108.800 0.021 0.000 2.248 215 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.263 215 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.263 215 G C 0.240 175.158 174.900 0.031 0.000 1.082 215 G CA -0.095 45.019 45.100 0.025 0.000 0.863 215 G HN 0.525 nan 8.290 nan 0.000 0.495 216 G N -0.701 108.120 108.800 0.035 0.000 2.454 216 G HA2 0.641 4.601 3.960 -0.001 0.000 0.329 216 G HA3 0.641 4.601 3.960 -0.001 0.000 0.329 216 G C -0.331 174.604 174.900 0.057 0.000 1.177 216 G CA -0.851 44.275 45.100 0.043 0.000 0.951 216 G HN 0.171 nan 8.290 nan 0.000 0.485 217 K N 1.525 121.955 120.400 0.051 0.000 2.266 217 K HA 0.186 4.506 4.320 -0.001 0.000 0.274 217 K C -0.924 175.729 176.600 0.088 0.000 1.090 217 K CA -0.652 55.669 56.287 0.056 0.000 0.925 217 K CB 1.286 33.794 32.500 0.013 0.000 1.225 217 K HN 0.354 nan 8.250 nan 0.000 0.458 218 F N 3.926 123.856 119.950 -0.035 0.000 2.541 218 F HA 0.130 4.657 4.527 -0.001 0.000 0.378 218 F C 0.456 176.229 175.800 -0.046 0.000 1.068 218 F CA -0.831 57.143 58.000 -0.042 0.000 1.199 218 F CB 0.171 39.153 39.000 -0.030 0.000 1.091 218 F HN 0.383 nan 8.300 nan 0.000 0.555 219 I N 6.260 126.484 120.570 -0.576 0.000 2.556 219 I HA 0.134 4.303 4.170 -0.001 0.000 0.284 219 I C 0.571 176.311 176.117 -0.629 0.000 1.114 219 I CA 0.209 61.219 61.300 -0.484 0.000 1.418 219 I CB 0.436 38.206 38.000 -0.384 0.000 1.394 219 I HN 0.728 nan 8.210 nan 0.000 0.552 247 Q N 1.132 120.917 119.800 -0.026 0.000 2.369 247 Q HA 0.061 4.401 4.340 -0.001 0.000 0.206 247 Q C 1.482 177.451 176.000 -0.052 0.000 0.963 247 Q CA 1.310 57.085 55.803 -0.047 0.000 0.894 247 Q CB 0.234 28.935 28.738 -0.061 0.000 0.965 247 Q HN 0.484 nan 8.270 nan 0.000 0.475 248 A N 0.658 123.460 122.820 -0.030 0.000 2.024 248 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 248 A C 1.810 179.381 177.584 -0.022 0.000 1.164 248 A CA 1.681 53.706 52.037 -0.020 0.000 0.643 248 A CB -0.425 18.576 19.000 0.001 0.000 0.806 248 A HN 0.429 nan 8.150 nan 0.000 0.451 249 E N -0.333 119.852 120.200 -0.025 0.000 2.268 249 E HA 0.002 4.351 4.350 -0.001 0.000 0.195 249 E C 1.929 178.508 176.600 -0.035 0.000 0.995 249 E CA 0.876 57.262 56.400 -0.023 0.000 0.836 249 E CB -0.245 29.443 29.700 -0.021 0.000 0.763 249 E HN 0.593 nan 8.360 nan 0.000 0.491 250 A N -0.362 122.425 122.820 -0.055 0.000 2.014 250 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 250 A C 2.235 179.771 177.584 -0.081 0.000 1.163 250 A CA 0.997 52.990 52.037 -0.073 0.000 0.652 250 A CB -0.184 18.754 19.000 -0.103 0.000 0.808 250 A HN 0.185 nan 8.150 nan 0.000 0.449 251 V N -0.417 119.452 119.914 -0.076 0.000 2.283 251 V HA -0.174 3.946 4.120 -0.001 0.000 0.243 251 V C 2.400 178.485 176.094 -0.016 0.000 1.039 251 V CA 1.676 63.932 62.300 -0.074 0.000 1.016 251 V CB -0.766 31.026 31.823 -0.052 0.000 0.650 251 V HN 0.566 nan 8.190 nan 0.000 0.449 252 L N 0.399 121.626 121.223 0.006 0.000 2.129 252 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 252 L C 2.267 179.136 176.870 -0.001 0.000 1.087 252 L CA 1.969 56.818 54.840 0.015 0.000 0.757 252 L CB -0.685 41.379 42.059 0.009 0.000 0.896 252 L HN 0.252 nan 8.230 nan 0.000 0.434 253 K N -1.265 119.125 120.400 -0.017 0.000 2.296 253 K HA -0.075 4.244 4.320 -0.001 0.000 0.200 253 K C 1.858 178.443 176.600 -0.026 0.000 1.048 253 K CA 0.670 56.944 56.287 -0.022 0.000 0.966 253 K CB 0.073 32.555 32.500 -0.029 0.000 0.754 253 K HN 0.262 nan 8.250 nan 0.000 0.466 254 E N 0.888 121.067 120.200 -0.035 0.000 2.127 254 E HA -0.026 4.324 4.350 -0.001 0.000 0.191 254 E C 1.881 178.467 176.600 -0.023 0.000 0.964 254 E CA 0.289 56.662 56.400 -0.043 0.000 0.832 254 E CB 0.048 29.701 29.700 -0.079 0.000 0.790 254 E HN 0.079 nan 8.360 nan 0.000 0.465 255 L N 1.311 122.536 121.223 0.003 0.000 2.081 255 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 255 L C 2.438 179.325 176.870 0.028 0.000 1.080 255 L CA 1.654 56.524 54.840 0.049 0.000 0.754 255 L CB -0.586 41.540 42.059 0.112 0.000 0.893 255 L HN 0.088 nan 8.230 nan 0.000 0.433 256 V N -3.309 116.613 119.914 0.013 0.000 2.490 256 V HA -0.222 3.897 4.120 -0.001 0.000 0.250 256 V C 2.175 178.271 176.094 0.002 0.000 1.061 256 V CA 1.908 64.212 62.300 0.007 0.000 1.064 256 V CB -1.078 30.745 31.823 0.000 0.000 0.670 256 V HN 0.499 nan 8.190 nan 0.000 0.461 257 K N 0.373 120.770 120.400 -0.005 0.000 2.426 257 K HA 0.154 4.474 4.320 -0.001 0.000 0.193 257 K C 0.716 177.307 176.600 -0.015 0.000 1.028 257 K CA 0.322 56.603 56.287 -0.010 0.000 1.047 257 K CB -0.015 32.474 32.500 -0.018 0.000 0.821 257 K HN 0.469 nan 8.250 nan 0.000 0.513 258 T N 1.545 116.089 114.554 -0.015 0.000 2.897 258 T HA 0.060 4.409 4.350 -0.001 0.000 0.294 258 T C 0.439 175.109 174.700 -0.050 0.000 1.004 258 T CA -0.327 61.751 62.100 -0.037 0.000 1.106 258 T CB 1.247 70.105 68.868 -0.015 0.000 0.949 258 T HN 0.056 nan 8.240 nan 0.000 0.520 259 D N 1.323 121.647 120.400 -0.126 0.000 2.369 259 D HA 0.138 4.778 4.640 -0.001 0.000 0.231 259 D C 0.184 176.253 176.300 -0.384 0.000 0.967 259 D CA 0.647 54.518 54.000 -0.215 0.000 0.905 259 D CB 0.486 41.117 40.800 -0.282 0.000 1.044 259 D HN 0.277 nan 8.370 nan 0.000 0.487 260 I N 0.996 121.329 120.570 -0.396 0.000 2.382 260 I HA 0.330 4.499 4.170 -0.001 0.000 0.286 260 I C -0.606 175.457 176.117 -0.090 0.000 1.002 260 I CA -0.567 60.559 61.300 -0.290 0.000 1.135 260 I CB 1.880 39.675 38.000 -0.343 0.000 1.288 260 I HN -0.166 nan 8.210 nan 0.000 0.448 261 A N 8.052 130.866 122.820 -0.011 0.000 2.273 261 A HA 0.821 5.140 4.320 -0.001 0.000 0.315 261 A C -0.517 177.134 177.584 0.111 0.000 1.256 261 A CA -0.369 51.737 52.037 0.116 0.000 0.851 261 A CB 0.156 19.246 19.000 0.149 0.000 1.172 261 A HN 0.620 nan 8.150 nan 0.000 0.508 262 I N 3.029 123.704 120.570 0.175 0.000 2.355 262 I HA 0.353 4.523 4.170 -0.001 0.000 0.288 262 I C 0.404 176.646 176.117 0.209 0.000 0.999 262 I CA -0.340 61.041 61.300 0.135 0.000 1.163 262 I CB 2.170 40.232 38.000 0.103 0.000 1.316 262 I HN 0.676 nan 8.210 nan 0.000 0.454 263 T N 0.750 115.370 114.554 0.110 0.000 2.824 263 T HA 0.450 4.800 4.350 -0.001 0.000 0.280 263 T C 0.477 175.223 174.700 0.078 0.000 0.995 263 T CA -0.365 61.796 62.100 0.101 0.000 1.009 263 T CB 1.652 70.465 68.868 -0.091 0.000 0.955 263 T HN 0.725 nan 8.240 nan 0.000 0.452 264 T N -0.777 113.839 114.554 0.103 0.000 3.144 264 T HA 0.505 4.854 4.350 -0.001 0.000 0.290 264 T C 0.718 175.457 174.700 0.066 0.000 0.966 264 T CA 0.010 62.156 62.100 0.075 0.000 0.907 264 T CB -0.086 68.830 68.868 0.080 0.000 1.152 264 T HN 1.008 nan 8.240 nan 0.000 0.532 265 A N 1.983 124.846 122.820 0.071 0.000 2.451 265 A HA 0.679 4.999 4.320 -0.001 0.000 0.266 265 A C -0.328 177.281 177.584 0.042 0.000 1.119 265 A CA -0.416 51.659 52.037 0.062 0.000 0.786 265 A CB 0.010 19.054 19.000 0.074 0.000 1.061 265 A HN 0.635 nan 8.150 nan 0.000 0.503 266 L N 3.708 124.955 121.223 0.040 0.000 2.354 266 L HA 0.740 5.079 4.340 -0.001 0.000 0.264 266 L C -1.141 175.747 176.870 0.031 0.000 1.008 266 L CA -0.574 54.286 54.840 0.033 0.000 0.819 266 L CB 1.788 43.868 42.059 0.036 0.000 1.339 266 L HN 0.544 nan 8.230 nan 0.000 0.420 267 I N 3.535 124.121 120.570 0.027 0.000 2.465 267 I HA 0.419 4.588 4.170 -0.001 0.000 0.291 267 I C -2.278 173.854 176.117 0.024 0.000 1.014 267 I CA -2.121 59.194 61.300 0.024 0.000 1.093 267 I CB 1.496 39.509 38.000 0.021 0.000 1.267 267 I HN 0.490 nan 8.210 nan 0.000 0.431 268 P HA 0.256 nan 4.420 nan 0.000 0.270 268 P C 0.925 178.238 177.300 0.021 0.000 1.242 268 P CA 0.629 63.742 63.100 0.021 0.000 0.768 268 P CB 0.667 32.376 31.700 0.016 0.000 0.820 269 G N 3.709 112.524 108.800 0.024 0.000 3.444 269 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.222 269 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.222 269 G C 0.155 175.067 174.900 0.020 0.000 1.358 269 G CA -0.096 45.018 45.100 0.023 0.000 0.880 269 G HN 0.548 nan 8.290 nan 0.000 0.555 270 K N 2.843 123.254 120.400 0.018 0.000 2.276 270 K HA 0.409 4.728 4.320 -0.001 0.000 0.259 270 K C -1.880 174.729 176.600 0.015 0.000 1.001 270 K CA -0.763 55.534 56.287 0.015 0.000 0.927 270 K CB 0.567 33.076 32.500 0.014 0.000 0.969 270 K HN 0.314 nan 8.250 nan 0.000 0.490 271 P HA -0.000 nan 4.420 nan 0.000 0.273 271 P C -0.942 176.364 177.300 0.010 0.000 1.250 271 P CA -0.328 62.779 63.100 0.010 0.000 0.793 271 P CB 0.499 32.203 31.700 0.007 0.000 1.011 272 A N 2.364 125.188 122.820 0.008 0.000 2.445 272 A HA 0.394 4.713 4.320 -0.001 0.000 0.242 272 A C -1.848 175.738 177.584 0.003 0.000 1.075 272 A CA -1.010 51.031 52.037 0.007 0.000 0.777 272 A CB -1.336 17.665 19.000 0.002 0.000 1.013 272 A HN 0.447 nan 8.150 nan 0.000 0.493 273 P HA 0.157 nan 4.420 nan 0.000 0.274 273 P C -0.391 176.902 177.300 -0.012 0.000 1.231 273 P CA -0.128 62.975 63.100 0.005 0.000 0.790 273 P CB 1.101 32.813 31.700 0.020 0.000 0.951 274 V N 4.583 124.488 119.914 -0.015 0.000 2.304 274 V HA 0.064 4.184 4.120 -0.001 0.000 0.262 274 V C 0.737 176.806 176.094 -0.042 0.000 1.061 274 V CA -0.048 62.230 62.300 -0.036 0.000 0.872 274 V CB -0.693 31.114 31.823 -0.027 0.000 1.077 274 V HN 0.338 nan 8.190 nan 0.000 0.480 275 L N 6.852 128.022 121.223 -0.087 0.000 2.354 275 L HA 0.436 4.775 4.340 -0.001 0.000 0.212 275 L C 0.612 177.371 176.870 -0.186 0.000 1.091 275 L CA 1.017 55.800 54.840 -0.094 0.000 0.828 275 L CB 0.085 42.077 42.059 -0.111 0.000 0.973 275 L HN 0.492 nan 8.230 nan 0.000 0.461 276 I N -0.056 120.365 120.570 -0.247 0.000 2.466 276 I HA 0.220 4.390 4.170 -0.001 0.000 0.279 276 I C 0.243 176.291 176.117 -0.115 0.000 1.033 276 I CA -0.447 60.722 61.300 -0.218 0.000 1.123 276 I CB 1.270 39.065 38.000 -0.342 0.000 1.237 276 I HN 0.024 nan 8.210 nan 0.000 0.460 277 T N -0.063 114.451 114.554 -0.066 0.000 2.732 277 T HA 0.176 4.526 4.350 -0.001 0.000 0.287 277 T C 1.022 175.702 174.700 -0.032 0.000 0.993 277 T CA -0.255 61.820 62.100 -0.042 0.000 0.966 277 T CB 1.691 70.542 68.868 -0.028 0.000 1.047 277 T HN 0.666 nan 8.240 nan 0.000 0.527 278 E N -0.146 120.044 120.200 -0.017 0.000 2.110 278 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 278 E C 1.898 178.464 176.600 -0.058 0.000 0.988 278 E CA 0.953 57.354 56.400 0.001 0.000 0.804 278 E CB -0.003 29.715 29.700 0.031 0.000 0.745 278 E HN 0.625 nan 8.360 nan 0.000 0.458 279 E N -0.090 120.071 120.200 -0.065 0.000 2.347 279 E HA -0.122 4.228 4.350 -0.001 0.000 0.196 279 E C 1.924 178.478 176.600 -0.076 0.000 1.008 279 E CA 0.687 57.032 56.400 -0.092 0.000 0.852 279 E CB -0.061 29.602 29.700 -0.061 0.000 0.783 279 E HN 0.497 nan 8.360 nan 0.000 0.505 280 M N -0.063 119.508 119.600 -0.049 0.000 2.156 280 M HA -0.112 4.368 4.480 -0.001 0.000 0.264 280 M C 2.316 178.597 176.300 -0.032 0.000 1.067 280 M CA 0.967 56.249 55.300 -0.031 0.000 1.131 280 M CB -0.281 32.307 32.600 -0.019 0.000 1.368 280 M HN -0.071 nan 8.290 nan 0.000 0.416 281 V N 0.278 120.173 119.914 -0.032 0.000 2.392 281 V HA -0.260 3.860 4.120 -0.001 0.000 0.249 281 V C 2.317 178.387 176.094 -0.040 0.000 1.059 281 V CA 2.235 64.536 62.300 0.001 0.000 1.051 281 V CB -1.359 30.514 31.823 0.083 0.000 0.658 281 V HN 0.517 nan 8.190 nan 0.000 0.455 282 T N -0.121 114.333 114.554 -0.166 0.000 2.685 282 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 282 T C 1.578 176.226 174.700 -0.086 0.000 1.034 282 T CA 1.326 63.295 62.100 -0.218 0.000 1.149 282 T CB -0.250 68.470 68.868 -0.246 0.000 0.860 282 T HN 0.368 nan 8.240 nan 0.000 0.449 283 K N 0.570 120.938 120.400 -0.054 0.000 2.476 283 K HA 0.306 4.625 4.320 -0.001 0.000 0.196 283 K C 0.347 176.944 176.600 -0.005 0.000 1.025 283 K CA 0.072 56.344 56.287 -0.026 0.000 1.138 283 K CB -0.175 32.312 32.500 -0.021 0.000 0.860 283 K HN 0.460 nan 8.250 nan 0.000 0.515 284 M N 0.692 120.294 119.600 0.004 0.000 2.478 284 M HA 0.234 4.714 4.480 -0.001 0.000 0.327 284 M C 0.015 176.333 176.300 0.028 0.000 1.187 284 M CA -0.569 54.742 55.300 0.019 0.000 1.022 284 M CB 1.406 34.022 32.600 0.026 0.000 1.629 284 M HN -0.225 nan 8.290 nan 0.000 0.461 285 K N 1.623 122.042 120.400 0.033 0.000 2.355 285 K HA 0.239 4.559 4.320 -0.001 0.000 0.270 285 K C -2.427 174.205 176.600 0.054 0.000 1.003 285 K CA -1.214 55.097 56.287 0.040 0.000 0.957 285 K CB -0.238 32.289 32.500 0.046 0.000 0.939 285 K HN 0.236 nan 8.250 nan 0.000 0.482 286 P HA 0.030 nan 4.420 nan 0.000 0.272 286 P C -0.300 177.041 177.300 0.068 0.000 1.223 286 P CA 0.093 63.224 63.100 0.051 0.000 0.784 286 P CB 0.632 32.352 31.700 0.034 0.000 0.923 287 G N 0.510 109.357 108.800 0.078 0.000 2.415 287 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.283 287 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.283 287 G C -0.132 174.915 174.900 0.246 0.000 1.014 287 G CA 0.234 45.405 45.100 0.118 0.000 1.323 287 G HN 0.711 nan 8.290 nan 0.000 0.502 288 S N -0.480 115.337 115.700 0.195 0.000 2.605 288 S HA 0.600 5.070 4.470 -0.001 0.000 0.279 288 S C -0.256 174.376 174.600 0.053 0.000 1.166 288 S CA -0.092 58.185 58.200 0.130 0.000 0.975 288 S CB 1.692 64.940 63.200 0.080 0.000 1.111 288 S HN 1.155 nan 8.310 nan 0.000 0.465 289 V N 5.774 125.674 119.914 -0.024 0.000 2.732 289 V HA 0.663 4.782 4.120 -0.001 0.000 0.310 289 V C -0.323 175.752 176.094 -0.032 0.000 1.053 289 V CA -0.699 61.594 62.300 -0.011 0.000 0.957 289 V CB 1.800 33.624 31.823 0.001 0.000 1.018 289 V HN 0.831 nan 8.190 nan 0.000 0.452 290 I N 4.194 124.754 120.570 -0.017 0.000 2.439 290 I HA 0.433 4.602 4.170 -0.001 0.000 0.285 290 I C -1.156 174.947 176.117 -0.022 0.000 1.021 290 I CA -0.432 60.853 61.300 -0.024 0.000 1.091 290 I CB 1.890 39.865 38.000 -0.041 0.000 1.242 290 I HN 0.396 nan 8.210 nan 0.000 0.439 291 I N 5.390 125.957 120.570 -0.006 0.000 2.307 291 I HA 0.150 4.320 4.170 -0.001 0.000 0.287 291 I C 0.029 176.143 176.117 -0.005 0.000 1.054 291 I CA 0.006 61.306 61.300 0.002 0.000 1.218 291 I CB 0.568 38.587 38.000 0.031 0.000 1.398 291 I HN 0.406 nan 8.210 nan 0.000 0.475 292 D N 6.625 127.009 120.400 -0.026 0.000 2.441 292 D HA 0.185 4.825 4.640 -0.001 0.000 0.221 292 D C 0.888 177.184 176.300 -0.007 0.000 1.156 292 D CA -0.025 53.956 54.000 -0.031 0.000 0.896 292 D CB 0.786 41.555 40.800 -0.052 0.000 1.028 292 D HN 0.440 nan 8.370 nan 0.000 0.509 293 L N 2.390 123.620 121.223 0.012 0.000 2.376 293 L HA 0.026 4.365 4.340 -0.001 0.000 0.219 293 L C 1.894 178.777 176.870 0.021 0.000 1.133 293 L CA 0.562 55.419 54.840 0.027 0.000 0.816 293 L CB -0.059 42.025 42.059 0.041 0.000 0.933 293 L HN 0.392 nan 8.230 nan 0.000 0.449 294 A N -0.746 122.080 122.820 0.011 0.000 2.307 294 A HA 0.043 4.363 4.320 -0.001 0.000 0.218 294 A C 2.087 179.671 177.584 0.000 0.000 1.228 294 A CA 0.212 52.254 52.037 0.009 0.000 0.857 294 A CB -0.259 18.746 19.000 0.008 0.000 0.897 294 A HN 0.139 nan 8.150 nan 0.000 0.495 295 V N 0.379 120.290 119.914 -0.005 0.000 2.311 295 V HA -0.375 3.745 4.120 -0.001 0.000 0.256 295 V C 2.063 178.154 176.094 -0.004 0.000 1.077 295 V CA 3.021 65.315 62.300 -0.010 0.000 1.067 295 V CB -0.391 31.425 31.823 -0.013 0.000 0.659 295 V HN 0.766 nan 8.190 nan 0.000 0.451 296 E N -0.189 120.012 120.200 0.003 0.000 2.208 296 E HA 0.065 4.415 4.350 -0.001 0.000 0.193 296 E C 1.769 178.373 176.600 0.006 0.000 0.988 296 E CA 0.935 57.338 56.400 0.004 0.000 0.828 296 E CB -0.271 29.431 29.700 0.004 0.000 0.763 296 E HN 0.695 nan 8.360 nan 0.000 0.478 297 A N -0.145 122.680 122.820 0.008 0.000 2.476 297 A HA 0.435 4.755 4.320 -0.001 0.000 0.263 297 A C 1.317 178.905 177.584 0.006 0.000 1.342 297 A CA 0.602 52.646 52.037 0.011 0.000 0.926 297 A CB -0.424 18.587 19.000 0.018 0.000 1.019 297 A HN 0.306 nan 8.150 nan 0.000 0.515 298 G N -1.659 107.141 108.800 0.001 0.000 2.279 298 G HA2 0.249 4.209 3.960 -0.001 0.000 0.223 298 G HA3 0.249 4.209 3.960 -0.001 0.000 0.223 298 G C 1.346 176.239 174.900 -0.012 0.000 1.015 298 G CA 0.387 45.484 45.100 -0.004 0.000 0.621 298 G HN 2.529 nan 8.290 nan 0.000 0.506 299 G N -0.670 108.122 108.800 -0.013 0.000 2.705 299 G HA2 0.015 3.975 3.960 -0.001 0.000 0.686 299 G HA3 0.015 3.975 3.960 -0.001 0.000 0.686 299 G C 0.106 174.984 174.900 -0.036 0.000 1.285 299 G CA 0.470 45.554 45.100 -0.025 0.000 0.800 299 G HN 1.054 nan 8.290 nan 0.000 0.611 300 N N -0.942 117.725 118.700 -0.056 0.000 2.422 300 N HA 0.189 4.929 4.740 -0.001 0.000 0.181 300 N C 0.571 176.007 175.510 -0.122 0.000 1.080 300 N CA 0.726 53.722 53.050 -0.090 0.000 0.893 300 N CB 0.644 39.061 38.487 -0.118 0.000 0.973 300 N HN 0.670 nan 8.380 nan 0.000 0.456 301 C N 0.913 120.153 119.300 -0.101 0.000 2.364 301 C HA 0.393 4.853 4.460 -0.001 0.000 0.324 301 C C -1.509 173.448 174.990 -0.055 0.000 1.234 301 C CA -2.133 56.829 59.018 -0.093 0.000 1.417 301 C CB 1.119 28.798 27.740 -0.102 0.000 2.101 301 C HN 0.167 nan 8.230 nan 0.000 0.466 302 P HA -0.160 nan 4.420 nan 0.000 0.215 302 P C 1.143 178.431 177.300 -0.020 0.000 1.163 302 P CA 1.688 64.773 63.100 -0.024 0.000 0.894 302 P CB -0.024 31.668 31.700 -0.014 0.000 0.791 303 L N -2.378 118.835 121.223 -0.016 0.000 2.610 303 L HA 0.136 4.476 4.340 -0.001 0.000 0.232 303 L C 0.750 177.602 176.870 -0.030 0.000 1.149 303 L CA 0.224 55.054 54.840 -0.018 0.000 0.872 303 L CB -2.005 40.049 42.059 -0.008 0.000 0.992 303 L HN -0.160 nan 8.230 nan 0.000 0.447 304 S N -0.116 115.563 115.700 -0.036 0.000 2.481 304 S HA 0.363 4.833 4.470 -0.001 0.000 0.276 304 S C -0.024 174.553 174.600 -0.038 0.000 1.247 304 S CA -0.481 57.693 58.200 -0.044 0.000 1.053 304 S CB 0.198 63.368 63.200 -0.050 0.000 0.925 304 S HN 0.457 nan 8.310 nan 0.000 0.491 305 E N 3.937 124.112 120.200 -0.041 0.000 2.183 305 E HA 0.401 4.750 4.350 -0.001 0.000 0.271 305 E C -2.525 174.056 176.600 -0.033 0.000 0.919 305 E CA -2.759 53.622 56.400 -0.032 0.000 0.781 305 E CB 1.446 31.128 29.700 -0.030 0.000 1.140 305 E HN 0.526 nan 8.360 nan 0.000 0.402 306 P HA 0.014 nan 4.420 nan 0.000 0.271 306 P C 0.438 177.736 177.300 -0.002 0.000 1.226 306 P CA 0.420 63.514 63.100 -0.010 0.000 0.765 306 P CB 0.670 32.368 31.700 -0.003 0.000 0.835 307 G N 2.196 111.003 108.800 0.011 0.000 2.147 307 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.244 307 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.244 307 G C -0.075 174.836 174.900 0.018 0.000 1.005 307 G CA 0.031 45.155 45.100 0.040 0.000 0.713 307 G HN 0.612 nan 8.290 nan 0.000 0.515 308 K N -1.024 119.352 120.400 -0.039 0.000 2.509 308 K HA 0.687 5.007 4.320 -0.001 0.000 0.266 308 K C -0.610 175.918 176.600 -0.120 0.000 0.987 308 K CA -1.060 55.195 56.287 -0.054 0.000 0.868 308 K CB 1.953 34.432 32.500 -0.034 0.000 1.421 308 K HN 0.071 nan 8.250 nan 0.000 0.444 309 I N 2.587 123.104 120.570 -0.088 0.000 2.390 309 I HA 0.227 4.396 4.170 -0.001 0.000 0.283 309 I C -0.576 175.511 176.117 -0.050 0.000 1.016 309 I CA -0.988 60.260 61.300 -0.088 0.000 1.151 309 I CB 1.480 39.445 38.000 -0.058 0.000 1.293 309 I HN 0.153 nan 8.210 nan 0.000 0.458 310 V N 6.845 126.727 119.914 -0.054 0.000 2.539 310 V HA 0.323 4.442 4.120 -0.001 0.000 0.292 310 V C 0.224 176.292 176.094 -0.043 0.000 1.045 310 V CA -0.710 61.562 62.300 -0.047 0.000 0.945 310 V CB 1.966 33.758 31.823 -0.051 0.000 0.993 310 V HN 0.369 nan 8.190 nan 0.000 0.464 311 V N 5.041 124.927 119.914 -0.047 0.000 2.328 311 V HA 0.501 4.621 4.120 -0.001 0.000 0.278 311 V C -0.003 176.036 176.094 -0.092 0.000 1.021 311 V CA -0.601 61.671 62.300 -0.048 0.000 0.838 311 V CB 0.936 32.738 31.823 -0.034 0.000 0.999 311 V HN 0.747 nan 8.190 nan 0.000 0.447 312 K N 3.552 123.888 120.400 -0.107 0.000 2.507 312 K HA 0.430 4.750 4.320 -0.001 0.000 0.252 312 K C -0.104 176.384 176.600 -0.187 0.000 0.943 312 K CA -0.708 55.423 56.287 -0.259 0.000 0.808 312 K CB 1.329 33.685 32.500 -0.240 0.000 1.142 312 K HN 0.807 nan 8.250 nan 0.000 0.426 313 H N 0.804 119.871 119.070 -0.004 0.000 2.791 313 H HA -0.214 4.342 4.556 -0.001 0.000 0.302 313 H C 0.872 176.202 175.328 0.002 0.000 1.198 313 H CA 1.174 57.221 56.048 -0.002 0.000 1.145 313 H CB -1.531 28.229 29.762 -0.004 0.000 1.385 313 H HN 1.133 nan 8.280 nan 0.000 0.409 314 G N -1.285 107.547 108.800 0.054 0.000 2.168 314 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.263 314 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.263 314 G C 0.234 175.163 174.900 0.050 0.000 0.977 314 G CA 0.348 45.475 45.100 0.045 0.000 0.659 314 G HN 0.542 nan 8.290 nan 0.000 0.533 315 V N 0.806 120.750 119.914 0.050 0.000 2.384 315 V HA 0.427 4.546 4.120 -0.001 0.000 0.287 315 V C 0.386 176.493 176.094 0.022 0.000 1.020 315 V CA -0.990 61.338 62.300 0.047 0.000 0.850 315 V CB 1.695 33.554 31.823 0.061 0.000 0.987 315 V HN 0.298 nan 8.190 nan 0.000 0.436 316 K N 5.604 126.020 120.400 0.027 0.000 2.316 316 K HA 0.488 4.807 4.320 -0.001 0.000 0.289 316 K C -0.833 175.765 176.600 -0.004 0.000 1.070 316 K CA -0.355 55.940 56.287 0.013 0.000 0.928 316 K CB 0.800 33.321 32.500 0.035 0.000 1.039 316 K HN 0.456 nan 8.250 nan 0.000 0.480 317 I N 3.916 124.471 120.570 -0.025 0.000 2.359 317 I HA 0.192 4.362 4.170 -0.001 0.000 0.284 317 I C -0.062 176.014 176.117 -0.067 0.000 1.018 317 I CA -0.930 60.346 61.300 -0.040 0.000 1.173 317 I CB 0.816 38.792 38.000 -0.040 0.000 1.326 317 I HN 0.208 nan 8.210 nan 0.000 0.462 318 V N 5.106 124.972 119.914 -0.080 0.000 2.439 318 V HA 0.705 4.825 4.120 -0.001 0.000 0.282 318 V C 0.884 176.891 176.094 -0.146 0.000 1.039 318 V CA -0.304 61.903 62.300 -0.154 0.000 0.913 318 V CB 1.563 33.299 31.823 -0.145 0.000 0.983 318 V HN 0.960 nan 8.190 nan 0.000 0.460 319 G N 2.909 111.591 108.800 -0.197 0.000 4.740 319 G HA2 0.247 4.207 3.960 -0.001 0.000 0.290 319 G HA3 0.247 4.207 3.960 -0.001 0.000 0.290 319 G C -0.198 174.648 174.900 -0.089 0.000 1.333 319 G CA -0.448 44.588 45.100 -0.107 0.000 0.923 319 G HN 0.652 nan 8.290 nan 0.000 0.559 320 H N 1.406 120.474 119.070 -0.003 0.000 2.897 320 H HA 0.182 4.738 4.556 -0.001 0.000 0.347 320 H C 0.843 176.164 175.328 -0.012 0.000 1.068 320 H CA 0.736 56.780 56.048 -0.007 0.000 1.426 320 H CB 1.201 30.957 29.762 -0.009 0.000 1.410 320 H HN 0.408 nan 8.280 nan 0.000 0.597 321 T N 0.473 115.108 114.554 0.134 0.000 2.837 321 T HA 0.134 4.484 4.350 -0.001 0.000 0.285 321 T C 0.513 175.229 174.700 0.025 0.000 0.984 321 T CA -1.048 61.084 62.100 0.054 0.000 1.049 321 T CB 0.842 69.727 68.868 0.030 0.000 0.947 321 T HN 0.633 nan 8.240 nan 0.000 0.472 322 N N 1.793 120.494 118.700 0.001 0.000 2.648 322 N HA -0.150 4.590 4.740 -0.001 0.000 0.265 322 N C 0.594 176.090 175.510 -0.024 0.000 1.100 322 N CA 0.637 53.671 53.050 -0.027 0.000 0.715 322 N CB -1.422 37.037 38.487 -0.048 0.000 0.881 322 N HN 0.568 nan 8.380 nan 0.000 0.548 323 V N 1.416 121.329 119.914 -0.001 0.000 2.427 323 V HA -0.106 4.014 4.120 -0.001 0.000 0.248 323 V C -0.585 175.505 176.094 -0.005 0.000 1.051 323 V CA 2.074 64.375 62.300 0.001 0.000 1.048 323 V CB -0.772 31.072 31.823 0.034 0.000 0.666 323 V HN 0.415 nan 8.190 nan 0.000 0.456 324 P HA -0.138 nan 4.420 nan 0.000 0.219 324 P C 1.966 179.251 177.300 -0.025 0.000 1.146 324 P CA 1.652 64.754 63.100 0.003 0.000 0.808 324 P CB -0.069 31.636 31.700 0.008 0.000 0.779 325 S N -0.876 114.794 115.700 -0.049 0.000 2.474 325 S HA -0.092 4.377 4.470 -0.001 0.000 0.235 325 S C 1.688 176.251 174.600 -0.062 0.000 0.997 325 S CA 0.778 58.939 58.200 -0.065 0.000 0.949 325 S CB -0.552 62.603 63.200 -0.075 0.000 0.766 325 S HN 0.098 nan 8.310 nan 0.000 0.517 326 R N 0.091 120.554 120.500 -0.062 0.000 2.276 326 R HA 0.098 4.438 4.340 -0.001 0.000 0.203 326 R C 0.555 176.834 176.300 -0.036 0.000 1.017 326 R CA 0.688 56.741 56.100 -0.077 0.000 1.010 326 R CB 0.125 30.356 30.300 -0.116 0.000 0.900 326 R HN 0.302 nan 8.270 nan 0.000 0.469 327 V N -0.141 119.768 119.914 -0.009 0.000 2.854 327 V HA 0.272 4.392 4.120 -0.001 0.000 0.366 327 V C 1.386 177.472 176.094 -0.012 0.000 1.322 327 V CA 0.071 62.378 62.300 0.012 0.000 1.243 327 V CB 0.448 32.303 31.823 0.053 0.000 1.337 327 V HN 0.174 nan 8.190 nan 0.000 0.585 328 A N 1.574 124.377 122.820 -0.029 0.000 1.903 328 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 328 A C 2.376 179.943 177.584 -0.029 0.000 1.191 328 A CA 2.579 54.593 52.037 -0.038 0.000 0.638 328 A CB -0.504 18.467 19.000 -0.048 0.000 0.823 328 A HN 0.849 nan 8.150 nan 0.000 0.451 329 A N -1.307 121.498 122.820 -0.025 0.000 2.019 329 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 329 A C 1.753 179.325 177.584 -0.019 0.000 1.164 329 A CA 2.065 54.090 52.037 -0.020 0.000 0.644 329 A CB -0.400 18.588 19.000 -0.020 0.000 0.805 329 A HN 0.490 nan 8.150 nan 0.000 0.449 330 D N -1.255 119.130 120.400 -0.025 0.000 2.323 330 D HA 0.262 4.901 4.640 -0.001 0.000 0.218 330 D C 2.199 178.492 176.300 -0.012 0.000 0.973 330 D CA 1.014 54.995 54.000 -0.032 0.000 0.890 330 D CB -0.110 40.649 40.800 -0.067 0.000 1.011 330 D HN 0.298 nan 8.370 nan 0.000 0.499 331 A N 0.127 122.945 122.820 -0.003 0.000 1.930 331 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 331 A C 2.290 179.906 177.584 0.052 0.000 1.175 331 A CA 1.690 53.741 52.037 0.023 0.000 0.627 331 A CB -0.536 18.469 19.000 0.009 0.000 0.815 331 A HN 0.136 nan 8.150 nan 0.000 0.443 332 S N 0.136 115.846 115.700 0.018 0.000 2.343 332 S HA -0.084 4.385 4.470 -0.001 0.000 0.219 332 S C -0.203 174.446 174.600 0.082 0.000 1.033 332 S CA 1.571 59.788 58.200 0.028 0.000 1.014 332 S CB -1.075 62.120 63.200 -0.009 0.000 0.915 332 S HN 0.578 nan 8.310 nan 0.000 0.435 333 P HA -0.087 nan 4.420 nan 0.000 0.218 333 P C 1.375 178.708 177.300 0.055 0.000 1.148 333 P CA 1.029 64.161 63.100 0.053 0.000 0.822 333 P CB -0.170 31.546 31.700 0.026 0.000 0.784 334 L N -1.913 119.341 121.223 0.052 0.000 2.005 334 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 334 L C 2.742 179.635 176.870 0.037 0.000 1.072 334 L CA 1.321 56.180 54.840 0.032 0.000 0.744 334 L CB -1.114 40.959 42.059 0.023 0.000 0.895 334 L HN -0.138 nan 8.230 nan 0.000 0.433 335 F N 0.878 120.792 119.950 -0.060 0.000 2.087 335 F HA -0.377 4.149 4.527 -0.001 0.000 0.299 335 F C 2.462 178.176 175.800 -0.142 0.000 1.100 335 F CA 1.693 59.640 58.000 -0.089 0.000 1.226 335 F CB -0.191 38.767 39.000 -0.070 0.000 0.983 335 F HN 0.055 nan 8.300 nan 0.000 0.479 336 A N -0.338 122.577 122.820 0.158 0.000 1.933 336 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 336 A C 2.190 179.731 177.584 -0.072 0.000 1.175 336 A CA 1.915 53.981 52.037 0.050 0.000 0.628 336 A CB -0.612 18.479 19.000 0.152 0.000 0.814 336 A HN 0.488 nan 8.150 nan 0.000 0.444 337 K N -0.348 120.024 120.400 -0.046 0.000 2.103 337 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 337 K C 1.711 178.239 176.600 -0.119 0.000 1.052 337 K CA 0.974 57.231 56.287 -0.050 0.000 0.945 337 K CB -0.185 32.301 32.500 -0.023 0.000 0.722 337 K HN 0.421 nan 8.250 nan 0.000 0.443 338 N N 1.355 119.933 118.700 -0.203 0.000 2.061 338 N HA -0.187 4.553 4.740 -0.001 0.000 0.193 338 N C 1.897 177.239 175.510 -0.280 0.000 1.030 338 N CA 1.299 54.193 53.050 -0.261 0.000 0.856 338 N CB -0.301 37.941 38.487 -0.407 0.000 1.023 338 N HN 0.149 nan 8.380 nan 0.000 0.424 339 L N 0.440 121.374 121.223 -0.480 0.000 2.017 339 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 339 L C 2.448 179.154 176.870 -0.274 0.000 1.073 339 L CA 0.624 55.086 54.840 -0.630 0.000 0.745 339 L CB -0.541 40.564 42.059 -1.590 0.000 0.894 339 L HN 0.122 nan 8.230 nan 0.000 0.432 340 L N 0.519 121.655 121.223 -0.146 0.000 2.012 340 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 340 L C 2.304 179.225 176.870 0.084 0.000 1.073 340 L CA 1.867 56.810 54.840 0.172 0.000 0.748 340 L CB -0.818 41.332 42.059 0.151 0.000 0.891 340 L HN 0.251 nan 8.230 nan 0.000 0.431 341 N N -0.787 117.927 118.700 0.024 0.000 2.104 341 N HA -0.242 4.497 4.740 -0.001 0.000 0.190 341 N C 1.798 177.353 175.510 0.075 0.000 1.024 341 N CA 1.714 54.780 53.050 0.027 0.000 0.853 341 N CB -0.672 37.815 38.487 -0.000 0.000 1.008 341 N HN 0.460 nan 8.380 nan 0.000 0.424 342 F N 1.342 121.250 119.950 -0.070 0.000 2.186 342 F HA 0.009 4.536 4.527 -0.001 0.000 0.299 342 F C 2.092 177.939 175.800 0.078 0.000 1.090 342 F CA 0.695 58.670 58.000 -0.042 0.000 1.307 342 F CB -0.401 38.516 39.000 -0.137 0.000 1.019 342 F HN 0.003 nan 8.300 nan 0.000 0.489 343 L N -0.887 120.315 121.223 -0.037 0.000 2.084 343 L HA -0.080 4.260 4.340 -0.001 0.000 0.202 343 L C 2.277 179.166 176.870 0.032 0.000 1.074 343 L CA 1.728 56.552 54.840 -0.026 0.000 0.757 343 L CB -1.038 41.151 42.059 0.216 0.000 0.918 343 L HN 0.065 nan 8.230 nan 0.000 0.444 344 T N 1.424 115.992 114.554 0.023 0.000 2.624 344 T HA -0.176 4.174 4.350 -0.001 0.000 0.266 344 T C -0.786 173.877 174.700 -0.062 0.000 1.050 344 T CA 2.254 64.353 62.100 -0.001 0.000 1.163 344 T CB -1.662 67.203 68.868 -0.005 0.000 0.861 344 T HN 0.433 nan 8.240 nan 0.000 0.443 345 P HA -0.076 nan 4.420 nan 0.000 0.231 345 P C 0.342 177.392 177.300 -0.416 0.000 1.158 345 P CA 1.287 64.203 63.100 -0.306 0.000 0.763 345 P CB -0.301 31.150 31.700 -0.415 0.000 0.805 346 H N -1.660 117.358 119.070 -0.087 0.000 2.551 346 H HA 0.168 4.723 4.556 -0.001 0.000 0.271 346 H C 0.496 175.813 175.328 -0.018 0.000 0.984 346 H CA -0.402 55.599 56.048 -0.078 0.000 1.164 346 H CB 0.134 29.804 29.762 -0.154 0.000 1.437 346 H HN -0.084 nan 8.280 nan 0.000 0.550 347 V N 1.191 121.153 119.914 0.081 0.000 2.567 347 V HA 0.053 4.173 4.120 -0.001 0.000 0.289 347 V C 0.414 176.530 176.094 0.037 0.000 1.049 347 V CA -0.690 61.666 62.300 0.092 0.000 0.969 347 V CB 1.564 33.478 31.823 0.152 0.000 0.995 347 V HN 0.251 nan 8.190 nan 0.000 0.471 348 D N 2.047 122.461 120.400 0.024 0.000 2.325 348 D HA 0.205 4.844 4.640 -0.001 0.000 0.262 348 D C 0.225 176.527 176.300 0.005 0.000 1.263 348 D CA -0.071 53.932 54.000 0.006 0.000 1.020 348 D CB 0.317 41.115 40.800 -0.003 0.000 1.117 348 D HN 0.332 nan 8.370 nan 0.000 0.545 349 K N 1.395 121.794 120.400 -0.002 0.000 2.296 349 K HA 0.144 4.464 4.320 -0.001 0.000 0.257 349 K C -0.839 175.758 176.600 -0.004 0.000 1.088 349 K CA -0.111 56.176 56.287 -0.001 0.000 0.980 349 K CB 0.544 33.042 32.500 -0.004 0.000 1.430 349 K HN 0.432 nan 8.250 nan 0.000 0.441 350 D N 0.744 121.143 120.400 -0.001 0.000 2.837 350 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 350 D C 0.072 176.361 176.300 -0.019 0.000 1.152 350 D CA 1.484 55.480 54.000 -0.008 0.000 0.736 350 D CB -0.597 40.200 40.800 -0.005 0.000 1.084 350 D HN 0.492 nan 8.370 nan 0.000 0.429 351 T N -0.610 113.930 114.554 -0.024 0.000 3.065 351 T HA 0.001 4.351 4.350 -0.001 0.000 0.252 351 T C 1.047 175.713 174.700 -0.056 0.000 1.099 351 T CA 0.580 62.661 62.100 -0.033 0.000 1.063 351 T CB 0.061 68.913 68.868 -0.026 0.000 0.948 351 T HN 0.401 nan 8.240 nan 0.000 0.506 352 K N 1.522 121.876 120.400 -0.075 0.000 3.125 352 K HA -0.168 4.151 4.320 -0.001 0.000 0.268 352 K C -0.650 175.851 176.600 -0.165 0.000 1.078 352 K CA 0.648 56.854 56.287 -0.135 0.000 0.775 352 K CB -1.387 31.045 32.500 -0.114 0.000 1.253 352 K HN 0.402 nan 8.250 nan 0.000 0.486 353 T N 0.350 114.823 114.554 -0.136 0.000 2.933 353 T HA 0.486 4.836 4.350 -0.001 0.000 0.305 353 T C -1.690 172.964 174.700 -0.076 0.000 1.092 353 T CA -0.910 61.122 62.100 -0.115 0.000 1.008 353 T CB 1.283 70.113 68.868 -0.062 0.000 1.102 353 T HN 0.231 nan 8.240 nan 0.000 0.469 354 L N 5.577 126.764 121.223 -0.060 0.000 2.322 354 L HA 0.864 5.204 4.340 -0.001 0.000 0.281 354 L C -1.100 175.789 176.870 0.031 0.000 1.014 354 L CA -0.648 54.208 54.840 0.026 0.000 0.815 354 L CB 1.261 43.367 42.059 0.079 0.000 1.247 354 L HN 0.579 nan 8.230 nan 0.000 0.421 355 V N 7.157 127.101 119.914 0.049 0.000 2.559 355 V HA 0.308 4.427 4.120 -0.001 0.000 0.289 355 V C -0.488 175.625 176.094 0.031 0.000 1.036 355 V CA -0.670 61.654 62.300 0.038 0.000 0.887 355 V CB 1.891 33.734 31.823 0.035 0.000 1.022 355 V HN 0.741 nan 8.190 nan 0.000 0.442 356 M N 5.684 125.250 119.600 -0.057 0.000 2.538 356 M HA 0.285 4.764 4.480 -0.001 0.000 0.327 356 M C 0.415 176.668 176.300 -0.078 0.000 1.545 356 M CA 0.268 55.402 55.300 -0.277 0.000 1.380 356 M CB -0.296 32.101 32.600 -0.339 0.000 1.657 356 M HN 0.539 nan 8.290 nan 0.000 0.459 357 K N 3.160 123.606 120.400 0.077 0.000 2.405 357 K HA -0.066 4.253 4.320 -0.001 0.000 0.276 357 K C 1.379 178.021 176.600 0.070 0.000 1.099 357 K CA -0.199 56.152 56.287 0.108 0.000 1.120 357 K CB 0.630 33.229 32.500 0.165 0.000 0.877 357 K HN 0.554 nan 8.250 nan 0.000 0.472 358 L N 4.577 125.836 121.223 0.060 0.000 2.017 358 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 358 L C 2.112 179.027 176.870 0.075 0.000 1.073 358 L CA 2.060 56.941 54.840 0.070 0.000 0.745 358 L CB -0.578 41.519 42.059 0.064 0.000 0.894 358 L HN 0.772 nan 8.230 nan 0.000 0.432 359 E N -0.132 120.107 120.200 0.065 0.000 2.331 359 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 359 E C 0.520 177.161 176.600 0.068 0.000 1.008 359 E CA 0.243 56.678 56.400 0.059 0.000 0.843 359 E CB -0.865 28.862 29.700 0.046 0.000 0.761 359 E HN 0.511 nan 8.360 nan 0.000 0.507 360 D N 2.374 122.827 120.400 0.089 0.000 2.458 360 D HA -0.080 4.560 4.640 -0.001 0.000 0.243 360 D C 1.048 177.413 176.300 0.108 0.000 1.146 360 D CA 0.195 54.260 54.000 0.108 0.000 0.877 360 D CB 0.942 41.854 40.800 0.186 0.000 1.176 360 D HN 0.350 nan 8.370 nan 0.000 0.461 361 E N 0.931 121.187 120.200 0.093 0.000 2.358 361 E HA -0.133 4.217 4.350 -0.001 0.000 0.195 361 E C 1.392 178.055 176.600 0.105 0.000 1.010 361 E CA 0.802 57.254 56.400 0.087 0.000 0.856 361 E CB -0.242 29.495 29.700 0.061 0.000 0.795 361 E HN 0.511 nan 8.360 nan 0.000 0.504 362 T N -1.238 113.403 114.554 0.146 0.000 2.904 362 T HA -0.029 4.321 4.350 -0.001 0.000 0.267 362 T C 1.988 176.867 174.700 0.298 0.000 1.059 362 T CA 0.835 63.056 62.100 0.202 0.000 1.137 362 T CB -0.335 68.718 68.868 0.309 0.000 0.879 362 T HN 0.053 nan 8.240 nan 0.000 0.467 363 V N 1.899 121.967 119.914 0.257 0.000 2.239 363 V HA -0.125 3.995 4.120 -0.001 0.000 0.242 363 V C 3.083 179.314 176.094 0.228 0.000 1.038 363 V CA 1.928 64.346 62.300 0.197 0.000 1.002 363 V CB -1.139 30.687 31.823 0.005 0.000 0.641 363 V HN 0.648 nan 8.190 nan 0.000 0.449 364 S N 0.973 116.770 115.700 0.162 0.000 2.380 364 S HA -0.205 4.265 4.470 -0.001 0.000 0.229 364 S C 1.998 176.678 174.600 0.133 0.000 1.043 364 S CA 2.242 60.526 58.200 0.141 0.000 1.038 364 S CB -0.828 62.435 63.200 0.106 0.000 0.872 364 S HN 0.651 nan 8.310 nan 0.000 0.456 365 G N -0.294 108.570 108.800 0.107 0.000 2.448 365 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.218 365 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.218 365 G C 1.542 176.447 174.900 0.007 0.000 1.135 365 G CA 1.379 46.524 45.100 0.074 0.000 0.784 365 G HN 0.740 nan 8.290 nan 0.000 0.543 366 T N -3.690 110.878 114.554 0.024 0.000 3.001 366 T HA 0.115 4.464 4.350 -0.001 0.000 0.251 366 T C 1.088 175.810 174.700 0.036 0.000 1.040 366 T CA -0.161 61.917 62.100 -0.037 0.000 0.985 366 T CB -0.425 68.376 68.868 -0.113 0.000 1.011 366 T HN 0.043 nan 8.240 nan 0.000 0.509 367 C N 2.794 122.185 119.300 0.152 0.000 2.663 367 C HA 0.413 4.873 4.460 -0.001 0.000 0.398 367 C C 1.940 176.845 174.990 -0.143 0.000 1.356 367 C CA -0.384 58.624 59.018 -0.017 0.000 1.629 367 C CB -1.329 26.446 27.740 0.058 0.000 2.402 367 C HN 0.485 nan 8.230 nan 0.000 0.598 368 V N 4.697 124.488 119.914 -0.206 0.000 2.575 368 V HA 0.133 4.253 4.120 -0.001 0.000 0.242 368 V C 1.307 177.364 176.094 -0.063 0.000 1.045 368 V CA 1.615 63.804 62.300 -0.185 0.000 1.065 368 V CB -0.100 31.619 31.823 -0.173 0.000 0.717 368 V HN 0.899 nan 8.190 nan 0.000 0.467 369 T N -0.219 114.271 114.554 -0.107 0.000 2.883 369 T HA 0.652 5.002 4.350 -0.001 0.000 0.296 369 T C -1.189 173.446 174.700 -0.110 0.000 1.117 369 T CA -0.682 61.376 62.100 -0.071 0.000 1.006 369 T CB 2.028 70.865 68.868 -0.052 0.000 1.191 369 T HN 0.256 nan 8.240 nan 0.000 0.508 370 R N 1.821 122.282 120.500 -0.065 0.000 2.563 370 R HA 0.263 4.603 4.340 -0.001 0.000 0.262 370 R C -1.236 175.046 176.300 -0.029 0.000 1.128 370 R CA -0.299 55.764 56.100 -0.062 0.000 0.969 370 R CB 0.930 31.202 30.300 -0.047 0.000 1.251 370 R HN 0.922 nan 8.270 nan 0.000 0.442 371 D N 2.627 123.013 120.400 -0.024 0.000 2.751 371 D HA -0.198 4.441 4.640 -0.001 0.000 0.233 371 D C 0.646 176.942 176.300 -0.007 0.000 1.149 371 D CA 2.020 56.015 54.000 -0.009 0.000 0.682 371 D CB -0.843 39.956 40.800 -0.002 0.000 1.068 371 D HN 1.080 nan 8.370 nan 0.000 0.429 372 G N -1.471 107.323 108.800 -0.010 0.000 2.159 372 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.256 372 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.256 372 G C 0.237 175.135 174.900 -0.004 0.000 0.977 372 G CA 0.522 45.619 45.100 -0.006 0.000 0.652 372 G HN 1.312 nan 8.290 nan 0.000 0.531 373 A N -0.247 122.570 122.820 -0.006 0.000 2.398 373 A HA 0.759 5.079 4.320 -0.001 0.000 0.301 373 A C 0.075 177.659 177.584 0.000 0.000 1.041 373 A CA -0.671 51.366 52.037 -0.001 0.000 0.711 373 A CB 0.987 19.988 19.000 0.002 0.000 1.240 373 A HN 0.717 nan 8.150 nan 0.000 0.420 374 I N 3.020 123.594 120.570 0.007 0.000 2.455 374 I HA 0.022 4.192 4.170 -0.001 0.000 0.303 374 I C -0.118 176.020 176.117 0.035 0.000 1.180 374 I CA 0.134 61.445 61.300 0.019 0.000 1.469 374 I CB 0.169 38.185 38.000 0.026 0.000 1.480 374 I HN 0.316 nan 8.210 nan 0.000 0.669 375 V N 5.768 125.704 119.914 0.037 0.000 2.071 375 V HA 0.161 4.280 4.120 -0.001 0.000 0.254 375 V C -0.230 175.937 176.094 0.121 0.000 1.456 375 V CA -0.216 62.115 62.300 0.051 0.000 1.383 375 V CB -1.262 30.581 31.823 0.034 0.000 1.433 375 V HN 0.660 nan 8.190 nan 0.000 0.499 376 H N 2.812 121.876 119.070 -0.009 0.000 3.140 376 H HA 0.366 4.922 4.556 -0.001 0.000 0.336 376 H C -2.972 172.353 175.328 -0.004 0.000 1.142 376 H CA -1.338 54.707 56.048 -0.005 0.000 1.308 376 H CB 2.272 32.028 29.762 -0.011 0.000 1.970 376 H HN 0.093 nan 8.280 nan 0.000 0.521 377 P HA 0.095 nan 4.420 nan 0.000 0.148 377 P C -0.999 176.121 177.300 -0.301 0.000 0.993 377 P CA 1.431 64.237 63.100 -0.490 0.000 1.195 377 P CB -0.481 30.880 31.700 -0.564 0.000 1.599 378 A N 1.897 124.651 122.820 -0.110 0.000 3.241 378 A HA 0.200 4.520 4.320 -0.001 0.000 0.198 378 A C 0.200 177.782 177.584 -0.003 0.000 1.003 378 A CA -0.458 51.572 52.037 -0.010 0.000 1.134 378 A CB -0.468 18.581 19.000 0.082 0.000 1.289 378 A HN 0.217 nan 8.150 nan 0.000 0.623 379 L N 0.000 121.211 121.223 -0.020 0.000 2.949 379 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 379 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 379 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 379 L HN 0.000 nan 8.230 nan 0.000 0.502