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 3bv0_1_A DATA FIRST_RESID 7 DATA SEQUENCE GLTPEQIIAV DGAHLWHPXX XXXXXXXSPV VAVAAHGAWL TLIRDGQPIE DATA SEQUENCE VLDAMSSWWT AIHGHGHPAL DQALTTQLRV MNHVMFGGLT HEPAARLAKL DATA SEQUENCE LVDITPAGLD TVFFSDSGSV SVEVAAKMAL QYWRGRGLPG KRRLMTWRGG DATA SEQUENCE YHGDTFLAMS ICDPHGGMHS LWTDVLAAQV FAPQVPRDYD PAYSAAFEAQ DATA SEQUENCE LAQHAGELAA VVVEPVVQGA GGMRFHDPRY LHDLRDICRR YEVLLIFDEI DATA SEQUENCE ATGFGRTGAL FAADHAGVSP DIMCVGKALT GGYLSLAATL CTADVAHTIS DATA SEQUENCE AXXXXXXXXG PTFMANPLAC AVSVASVELL LGQDWRTRIT ELAAGLTAGL DATA SEQUENCE DTARALPAVT DVRVCGAIGV IECDRPVDLA VATPAALDRG VWLRPFRNLV DATA SEQUENCE YAMPPYICTP AEITQITSAM VEVARLV 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 7 G HA2 0.000 nan 3.960 nan 0.000 0.244 7 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 7 G C 0.000 174.902 174.900 0.003 0.000 0.946 7 G CA 0.000 45.101 45.100 0.001 0.000 0.502 8 L N 0.828 122.052 121.223 0.002 0.000 2.445 8 L HA 0.634 4.966 4.340 -0.014 0.000 0.262 8 L C 0.614 177.485 176.870 0.000 0.000 0.974 8 L CA -1.085 53.758 54.840 0.004 0.000 0.822 8 L CB 2.776 44.840 42.059 0.007 0.000 1.339 8 L HN 0.853 nan 8.230 nan 0.000 0.409 9 T N -2.147 112.407 114.554 0.001 0.000 2.899 9 T HA 0.312 4.653 4.350 -0.014 0.000 0.284 9 T C -2.063 172.635 174.700 -0.003 0.000 1.004 9 T CA -1.735 60.364 62.100 -0.002 0.000 1.043 9 T CB 1.447 70.314 68.868 -0.001 0.000 1.013 9 T HN 0.306 nan 8.240 nan 0.000 0.518 10 P HA -0.136 nan 4.420 nan 0.000 0.217 10 P C 1.386 178.682 177.300 -0.007 0.000 1.151 10 P CA 1.153 64.247 63.100 -0.010 0.000 0.849 10 P CB 0.120 31.812 31.700 -0.014 0.000 0.787 11 E N -0.521 119.676 120.200 -0.005 0.000 2.106 11 E HA -0.217 4.125 4.350 -0.014 0.000 0.192 11 E C 2.067 178.667 176.600 0.001 0.000 0.984 11 E CA 0.954 57.352 56.400 -0.004 0.000 0.806 11 E CB -0.216 29.482 29.700 -0.004 0.000 0.750 11 E HN 0.289 nan 8.360 nan 0.000 0.458 12 Q N -0.021 119.781 119.800 0.004 0.000 2.119 12 Q HA -0.135 4.196 4.340 -0.014 0.000 0.201 12 Q C 2.253 178.264 176.000 0.018 0.000 0.972 12 Q CA 1.226 57.036 55.803 0.011 0.000 0.847 12 Q CB -0.011 28.734 28.738 0.012 0.000 0.903 12 Q HN 0.397 nan 8.270 nan 0.000 0.433 13 I N 0.319 120.897 120.570 0.013 0.000 2.226 13 I HA -0.286 3.875 4.170 -0.014 0.000 0.245 13 I C 2.098 178.229 176.117 0.023 0.000 1.100 13 I CA 1.104 62.415 61.300 0.019 0.000 1.374 13 I CB -0.190 37.815 38.000 0.009 0.000 1.057 13 I HN 0.183 nan 8.210 nan 0.000 0.413 14 I N 0.666 121.241 120.570 0.009 0.000 2.226 14 I HA -0.294 3.867 4.170 -0.014 0.000 0.245 14 I C 2.761 178.879 176.117 0.001 0.000 1.100 14 I CA 1.411 62.713 61.300 0.003 0.000 1.374 14 I CB -0.400 37.594 38.000 -0.010 0.000 1.057 14 I HN 0.189 nan 8.210 nan 0.000 0.413 15 A N 0.151 122.973 122.820 0.002 0.000 1.877 15 A HA -0.146 4.165 4.320 -0.014 0.000 0.216 15 A C 2.425 180.009 177.584 -0.000 0.000 1.186 15 A CA 1.715 53.748 52.037 -0.006 0.000 0.620 15 A CB -0.976 18.024 19.000 -0.000 0.000 0.822 15 A HN 0.221 nan 8.150 nan 0.000 0.443 16 V N 0.910 120.850 119.914 0.043 0.000 2.343 16 V HA -0.254 3.857 4.120 -0.014 0.000 0.247 16 V C 2.459 178.613 176.094 0.100 0.000 1.051 16 V CA 2.328 64.695 62.300 0.112 0.000 1.036 16 V CB -0.699 31.197 31.823 0.122 0.000 0.654 16 V HN 0.745 nan 8.190 nan 0.000 0.451 17 D N 0.521 120.967 120.400 0.076 0.000 2.097 17 D HA -0.159 4.473 4.640 -0.014 0.000 0.195 17 D C 2.144 178.481 176.300 0.062 0.000 0.989 17 D CA 1.812 55.873 54.000 0.102 0.000 0.827 17 D CB -0.175 40.700 40.800 0.126 0.000 0.966 17 D HN 0.428 nan 8.370 nan 0.000 0.456 18 G N 0.445 109.245 108.800 -0.000 0.000 2.432 18 G HA2 -0.137 3.814 3.960 -0.014 0.000 0.219 18 G HA3 -0.137 3.814 3.960 -0.014 0.000 0.219 18 G C 1.720 176.550 174.900 -0.117 0.000 1.135 18 G CA 1.201 46.270 45.100 -0.051 0.000 0.767 18 G HN 0.458 nan 8.290 nan 0.000 0.550 19 A N -0.287 122.418 122.820 -0.191 0.000 1.930 19 A HA 0.167 4.479 4.320 -0.014 0.000 0.215 19 A C 1.901 179.171 177.584 -0.523 0.000 1.176 19 A CA 1.633 53.412 52.037 -0.431 0.000 0.632 19 A CB -0.200 18.415 19.000 -0.642 0.000 0.819 19 A HN 0.515 nan 8.150 nan 0.000 0.445 20 H N -2.677 116.401 119.070 0.014 0.000 3.622 20 H HA 0.453 5.000 4.556 -0.014 0.000 0.259 20 H C -0.468 174.891 175.328 0.053 0.000 1.145 20 H CA -0.441 55.626 56.048 0.030 0.000 1.178 20 H CB 0.682 30.463 29.762 0.031 0.000 1.542 20 H HN 0.217 nan 8.280 nan 0.000 0.586 21 L N 1.247 122.554 121.223 0.139 0.000 2.307 21 L HA 0.215 4.547 4.340 -0.014 0.000 0.284 21 L C -0.847 176.104 176.870 0.136 0.000 1.023 21 L CA -0.682 54.228 54.840 0.117 0.000 0.810 21 L CB 1.654 43.750 42.059 0.062 0.000 1.231 21 L HN 0.264 nan 8.230 nan 0.000 0.423 22 W N 4.022 125.306 121.300 -0.026 0.000 2.417 22 W HA 0.353 5.005 4.660 -0.014 0.000 0.317 22 W C -0.320 176.129 176.519 -0.117 0.000 1.121 22 W CA -0.331 57.017 57.345 0.005 0.000 1.208 22 W CB 1.132 30.599 29.460 0.013 0.000 1.253 22 W HN 0.480 nan 8.180 nan 0.000 0.533 23 H N 3.266 122.567 119.070 0.385 0.000 2.710 23 H HA 0.355 4.903 4.556 -0.014 0.000 0.361 23 H C -1.499 173.977 175.328 0.247 0.000 1.175 23 H CA -1.233 54.953 56.048 0.230 0.000 1.206 23 H CB 1.128 30.959 29.762 0.114 0.000 1.750 23 H HN 0.104 nan 8.280 nan 0.000 0.553 35 P HA 0.425 nan 4.420 nan 0.000 0.272 35 P C -1.101 176.158 177.300 -0.067 0.000 1.223 35 P CA -0.581 62.431 63.100 -0.147 0.000 0.784 35 P CB 0.460 31.979 31.700 -0.302 0.000 0.923 36 V N 2.331 122.213 119.914 -0.053 0.000 2.439 36 V HA 0.109 4.221 4.120 -0.014 0.000 0.282 36 V C 0.285 176.305 176.094 -0.124 0.000 1.039 36 V CA -0.800 61.457 62.300 -0.072 0.000 0.913 36 V CB 1.723 33.511 31.823 -0.058 0.000 0.983 36 V HN 0.305 nan 8.190 nan 0.000 0.460 37 V N 4.971 124.832 119.914 -0.088 0.000 2.479 37 V HA 0.360 4.472 4.120 -0.014 0.000 0.281 37 V C 0.740 176.757 176.094 -0.128 0.000 1.031 37 V CA 0.037 62.285 62.300 -0.086 0.000 1.038 37 V CB 0.863 32.655 31.823 -0.051 0.000 0.981 37 V HN 0.988 nan 8.190 nan 0.000 0.478 38 A N 4.802 127.530 122.820 -0.152 0.000 2.292 38 A HA 0.662 4.974 4.320 -0.014 0.000 0.319 38 A C 0.523 178.030 177.584 -0.129 0.000 1.206 38 A CA -0.094 51.833 52.037 -0.183 0.000 0.835 38 A CB 1.480 20.329 19.000 -0.251 0.000 1.164 38 A HN 1.274 nan 8.150 nan 0.000 0.505 39 V N -1.236 118.611 119.914 -0.112 0.000 3.548 39 V HA 0.690 4.802 4.120 -0.014 0.000 0.279 39 V C 0.451 176.496 176.094 -0.081 0.000 1.446 39 V CA 0.695 62.949 62.300 -0.077 0.000 1.023 39 V CB -0.777 31.019 31.823 -0.045 0.000 0.820 39 V HN 1.738 nan 8.190 nan 0.000 0.438 40 A N -0.256 122.489 122.820 -0.124 0.000 2.601 40 A HA 0.974 5.286 4.320 -0.014 0.000 0.291 40 A C -0.978 176.413 177.584 -0.321 0.000 1.075 40 A CA -0.114 51.816 52.037 -0.179 0.000 0.671 40 A CB 1.331 20.340 19.000 0.014 0.000 1.277 40 A HN 1.755 nan 8.150 nan 0.000 0.417 41 A N 0.871 123.327 122.820 -0.608 0.000 2.480 41 A HA 0.767 5.079 4.320 -0.014 0.000 0.289 41 A C -1.357 175.806 177.584 -0.702 0.000 1.044 41 A CA -0.274 51.400 52.037 -0.605 0.000 0.761 41 A CB 0.759 19.287 19.000 -0.786 0.000 1.289 41 A HN 1.246 nan 8.150 nan 0.000 0.401 42 H N 0.641 119.746 119.070 0.058 0.000 2.947 42 H HA 0.596 5.148 4.556 -0.006 0.000 0.354 42 H C 0.803 176.273 175.328 0.237 0.000 1.085 42 H CA 0.375 56.505 56.048 0.136 0.000 1.253 42 H CB 1.795 31.603 29.762 0.077 0.000 1.757 42 H HN 1.855 nan 8.280 nan 0.000 0.523 43 G N 1.589 110.593 108.800 0.339 0.000 2.622 43 G HA2 -0.352 3.600 3.960 -0.014 0.000 0.307 43 G HA3 -0.352 3.600 3.960 -0.014 0.000 0.307 43 G C 1.026 176.122 174.900 0.327 0.000 1.226 43 G CA 0.751 46.039 45.100 0.313 0.000 0.997 43 G HN 1.046 nan 8.290 nan 0.000 0.551 44 A N -0.904 122.106 122.820 0.316 0.000 2.307 44 A HA 0.530 4.841 4.320 -0.014 0.000 0.218 44 A C 0.196 177.745 177.584 -0.059 0.000 1.228 44 A CA 0.656 52.743 52.037 0.084 0.000 0.857 44 A CB -0.120 18.828 19.000 -0.087 0.000 0.897 44 A HN 0.578 nan 8.150 nan 0.000 0.495 45 W N -0.587 120.790 121.300 0.128 0.000 2.666 45 W HA 0.666 5.320 4.660 -0.011 0.000 0.334 45 W C -0.441 176.061 176.519 -0.028 0.000 1.051 45 W CA -0.679 56.705 57.345 0.065 0.000 1.224 45 W CB 0.937 30.436 29.460 0.066 0.000 1.405 45 W HN -0.087 nan 8.180 nan 0.000 0.513 46 L N 1.827 123.130 121.223 0.133 0.000 2.334 46 L HA 0.701 5.033 4.340 -0.014 0.000 0.272 46 L C 0.091 176.980 176.870 0.031 0.000 1.020 46 L CA -0.939 53.867 54.840 -0.057 0.000 0.812 46 L CB 1.560 43.508 42.059 -0.185 0.000 1.264 46 L HN 0.242 nan 8.230 nan 0.000 0.439 47 T N 3.313 117.843 114.554 -0.040 0.000 2.788 47 T HA 0.608 4.950 4.350 -0.014 0.000 0.296 47 T C -0.216 174.442 174.700 -0.070 0.000 1.009 47 T CA -0.368 61.726 62.100 -0.010 0.000 0.949 47 T CB 0.583 69.460 68.868 0.014 0.000 0.946 47 T HN 0.254 nan 8.240 nan 0.000 0.453 48 L N 2.904 124.093 121.223 -0.056 0.000 2.322 48 L HA 0.677 5.009 4.340 -0.014 0.000 0.269 48 L C -0.626 176.218 176.870 -0.043 0.000 1.012 48 L CA -1.436 53.350 54.840 -0.091 0.000 0.815 48 L CB 1.431 43.416 42.059 -0.123 0.000 1.295 48 L HN 0.395 nan 8.230 nan 0.000 0.438 49 I N 1.832 122.374 120.570 -0.047 0.000 2.331 49 I HA 0.396 4.558 4.170 -0.014 0.000 0.292 49 I C -0.031 176.080 176.117 -0.011 0.000 0.998 49 I CA 0.091 61.377 61.300 -0.024 0.000 1.267 49 I CB 1.119 39.103 38.000 -0.025 0.000 1.386 49 I HN 0.451 nan 8.210 nan 0.000 0.476 50 R N 5.221 125.723 120.500 0.003 0.000 2.514 50 R HA 0.285 4.616 4.340 -0.014 0.000 0.296 50 R C -1.046 175.260 176.300 0.010 0.000 1.012 50 R CA -0.347 55.762 56.100 0.014 0.000 0.897 50 R CB 0.882 31.200 30.300 0.030 0.000 1.184 50 R HN 0.688 nan 8.270 nan 0.000 0.440 51 D N 3.221 123.625 120.400 0.007 0.000 2.945 51 D HA -0.182 4.450 4.640 -0.014 0.000 0.225 51 D C 0.687 176.988 176.300 0.001 0.000 1.158 51 D CA 1.842 55.844 54.000 0.004 0.000 0.805 51 D CB -1.023 39.781 40.800 0.007 0.000 1.098 51 D HN 1.088 nan 8.370 nan 0.000 0.426 52 G N -0.023 108.776 108.800 -0.001 0.000 2.162 52 G HA2 -0.363 3.589 3.960 -0.014 0.000 0.260 52 G HA3 -0.363 3.589 3.960 -0.014 0.000 0.260 52 G C 0.096 174.994 174.900 -0.003 0.000 0.976 52 G CA 0.829 45.927 45.100 -0.004 0.000 0.655 52 G HN 0.681 nan 8.290 nan 0.000 0.533 53 Q N 0.816 120.615 119.800 -0.001 0.000 2.312 53 Q HA 0.615 4.947 4.340 -0.014 0.000 0.263 53 Q C -2.740 173.260 176.000 0.000 0.000 0.995 53 Q CA -2.461 53.341 55.803 -0.000 0.000 0.853 53 Q CB 2.778 31.518 28.738 0.003 0.000 1.300 53 Q HN 0.203 nan 8.270 nan 0.000 0.448 54 P HA 0.223 nan 4.420 nan 0.000 0.281 54 P C -0.863 176.442 177.300 0.008 0.000 1.252 54 P CA -0.033 63.066 63.100 -0.001 0.000 0.778 54 P CB 0.462 32.159 31.700 -0.005 0.000 0.895 55 I N -1.242 119.340 120.570 0.019 0.000 2.647 55 I HA 0.541 4.703 4.170 -0.014 0.000 0.295 55 I C -0.463 175.696 176.117 0.070 0.000 1.078 55 I CA -1.279 60.045 61.300 0.041 0.000 1.048 55 I CB 2.806 40.840 38.000 0.055 0.000 1.239 55 I HN 0.098 nan 8.210 nan 0.000 0.421 56 E N 4.778 125.034 120.200 0.094 0.000 2.167 56 E HA 0.501 4.843 4.350 -0.014 0.000 0.284 56 E C -0.705 176.136 176.600 0.402 0.000 1.016 56 E CA -0.712 55.805 56.400 0.195 0.000 0.817 56 E CB 2.198 31.929 29.700 0.052 0.000 1.080 56 E HN 0.585 nan 8.360 nan 0.000 0.397 57 V N 0.530 120.701 119.914 0.429 0.000 2.914 57 V HA 0.422 4.534 4.120 -0.014 0.000 0.314 57 V C -0.596 175.561 176.094 0.105 0.000 1.084 57 V CA -1.348 61.153 62.300 0.334 0.000 0.963 57 V CB 1.487 33.435 31.823 0.209 0.000 1.025 57 V HN 0.389 nan 8.190 nan 0.000 0.432 58 L N 2.627 123.668 121.223 -0.304 0.000 2.455 58 L HA 0.352 4.684 4.340 -0.014 0.000 0.272 58 L C 0.531 177.301 176.870 -0.167 0.000 1.174 58 L CA 0.589 55.078 54.840 -0.585 0.000 0.869 58 L CB 0.072 41.758 42.059 -0.623 0.000 1.130 58 L HN 0.925 nan 8.230 nan 0.000 0.474 59 D N 3.152 123.479 120.400 -0.121 0.000 2.508 59 D HA 0.189 4.821 4.640 -0.014 0.000 0.224 59 D C 0.971 177.266 176.300 -0.008 0.000 1.171 59 D CA 0.179 54.211 54.000 0.054 0.000 1.006 59 D CB 0.810 41.694 40.800 0.140 0.000 1.073 59 D HN 0.627 nan 8.370 nan 0.000 0.513 60 A N 4.147 126.945 122.820 -0.036 0.000 1.972 60 A HA -0.146 4.165 4.320 -0.014 0.000 0.219 60 A C 1.857 179.363 177.584 -0.130 0.000 1.169 60 A CA 0.882 52.852 52.037 -0.111 0.000 0.635 60 A CB -0.190 18.715 19.000 -0.157 0.000 0.810 60 A HN 0.530 nan 8.150 nan 0.000 0.446 61 M N -0.692 118.850 119.600 -0.096 0.000 2.618 61 M HA 0.138 4.610 4.480 -0.014 0.000 0.240 61 M C 0.765 177.013 176.300 -0.087 0.000 1.123 61 M CA 0.516 55.732 55.300 -0.140 0.000 1.060 61 M CB -1.160 31.404 32.600 -0.059 0.000 1.535 61 M HN 0.304 nan 8.290 nan 0.000 0.507 62 S N 1.184 116.865 115.700 -0.032 0.000 3.533 62 S HA -0.155 4.307 4.470 -0.014 0.000 0.347 62 S C 0.476 175.109 174.600 0.055 0.000 1.101 62 S CA 0.722 58.906 58.200 -0.027 0.000 1.009 62 S CB -1.588 61.553 63.200 -0.099 0.000 0.916 62 S HN 0.650 nan 8.310 nan 0.000 0.496 63 S N -1.498 114.297 115.700 0.158 0.000 3.711 63 S HA -0.221 4.241 4.470 -0.014 0.000 0.374 63 S C -0.092 174.698 174.600 0.317 0.000 0.969 63 S CA 0.962 59.299 58.200 0.229 0.000 1.198 63 S CB -1.544 61.797 63.200 0.235 0.000 0.903 63 S HN 1.420 nan 8.310 nan 0.000 0.493 64 W N -0.128 121.196 121.300 0.040 0.000 5.447 64 W HA -0.211 4.440 4.660 -0.015 0.000 0.421 64 W C 0.131 176.821 176.519 0.285 0.000 1.665 64 W CA 1.090 58.487 57.345 0.087 0.000 0.941 64 W CB -2.247 27.320 29.460 0.180 0.000 2.889 64 W HN 0.838 nan 8.180 nan 0.000 1.320 65 W N -2.356 118.942 121.300 -0.003 0.000 2.062 65 W HA -0.425 4.226 4.660 -0.014 0.000 0.257 65 W C 2.158 178.611 176.519 -0.109 0.000 1.024 65 W CA 2.669 59.954 57.345 -0.101 0.000 0.471 65 W CB -2.128 27.202 29.460 -0.217 0.000 2.039 65 W HN 0.423 nan 8.180 nan 0.000 1.321 66 T N -3.163 111.464 114.554 0.121 0.000 2.851 66 T HA 0.320 4.662 4.350 -0.014 0.000 0.262 66 T C 1.343 175.982 174.700 -0.102 0.000 1.043 66 T CA 1.005 63.122 62.100 0.028 0.000 1.140 66 T CB -0.428 68.480 68.868 0.067 0.000 0.872 66 T HN 0.574 nan 8.240 nan 0.000 0.446 67 A N 2.149 124.866 122.820 -0.170 0.000 3.118 67 A HA 0.571 4.882 4.320 -0.014 0.000 0.256 67 A C 1.570 178.950 177.584 -0.340 0.000 1.667 67 A CA -0.543 51.302 52.037 -0.319 0.000 1.338 67 A CB -1.281 17.338 19.000 -0.635 0.000 1.127 67 A HN 0.760 nan 8.150 nan 0.000 0.634 68 I N -2.849 117.457 120.570 -0.440 0.000 2.493 68 I HA -0.129 4.033 4.170 -0.014 0.000 0.254 68 I C 1.202 176.918 176.117 -0.668 0.000 1.160 68 I CA 1.249 62.064 61.300 -0.808 0.000 1.445 68 I CB -0.349 36.945 38.000 -1.178 0.000 1.086 68 I HN 0.465 nan 8.210 nan 0.000 0.433 69 H N 1.720 120.667 119.070 -0.206 0.000 2.549 69 H HA 0.440 4.988 4.556 -0.013 0.000 0.279 69 H C 1.137 176.509 175.328 0.073 0.000 1.018 69 H CA 0.491 56.519 56.048 -0.035 0.000 1.175 69 H CB 0.157 29.860 29.762 -0.097 0.000 1.485 69 H HN 0.540 nan 8.280 nan 0.000 0.543 70 G N 0.964 109.778 108.800 0.023 0.000 2.795 70 G HA2 -0.201 3.751 3.960 -0.014 0.000 0.664 70 G HA3 -0.201 3.751 3.960 -0.014 0.000 0.664 70 G C -0.693 174.173 174.900 -0.058 0.000 1.381 70 G CA -0.828 44.268 45.100 -0.006 0.000 0.853 70 G HN 0.469 nan 8.290 nan 0.000 0.545 71 H N 0.104 119.207 119.070 0.055 0.000 2.551 71 H HA 0.433 4.979 4.556 -0.016 0.000 0.358 71 H C 1.549 176.907 175.328 0.049 0.000 1.151 71 H CA 0.834 56.854 56.048 -0.046 0.000 1.374 71 H CB 1.024 30.715 29.762 -0.119 0.000 1.473 71 H HN 2.109 nan 8.280 nan 0.000 0.574 72 G N 1.738 110.608 108.800 0.116 0.000 2.341 72 G HA2 -0.313 3.639 3.960 -0.014 0.000 0.292 72 G HA3 -0.313 3.639 3.960 -0.014 0.000 0.292 72 G C 0.120 175.201 174.900 0.302 0.000 1.021 72 G CA 0.862 46.104 45.100 0.237 0.000 0.905 72 G HN 0.944 nan 8.290 nan 0.000 0.508 73 H N 0.705 119.943 119.070 0.280 0.000 3.004 73 H HA 0.266 4.822 4.556 -0.000 0.000 0.316 73 H C -0.086 175.323 175.328 0.135 0.000 1.014 73 H CA -0.377 55.783 56.048 0.187 0.000 1.454 73 H CB 1.075 30.932 29.762 0.159 0.000 1.472 73 H HN 0.111 nan 8.280 nan 0.000 0.571 74 P HA -0.260 nan 4.420 nan 0.000 0.216 74 P C 0.936 178.322 177.300 0.144 0.000 1.153 74 P CA 1.994 65.127 63.100 0.055 0.000 0.858 74 P CB 0.044 31.713 31.700 -0.052 0.000 0.789 75 A N -0.385 122.623 122.820 0.313 0.000 1.968 75 A HA -0.063 4.249 4.320 -0.014 0.000 0.217 75 A C 2.390 179.984 177.584 0.016 0.000 1.169 75 A CA 1.091 53.219 52.037 0.151 0.000 0.638 75 A CB -1.286 17.790 19.000 0.128 0.000 0.812 75 A HN 0.133 nan 8.150 nan 0.000 0.446 76 L N -0.994 120.230 121.223 0.002 0.000 2.162 76 L HA -0.061 4.271 4.340 -0.014 0.000 0.205 76 L C 1.861 178.563 176.870 -0.281 0.000 1.086 76 L CA 0.945 55.627 54.840 -0.264 0.000 0.778 76 L CB -0.833 40.944 42.059 -0.469 0.000 0.928 76 L HN 0.191 nan 8.230 nan 0.000 0.446 77 D N 0.559 120.941 120.400 -0.029 0.000 2.104 77 D HA -0.204 4.427 4.640 -0.014 0.000 0.194 77 D C 2.334 178.639 176.300 0.008 0.000 0.994 77 D CA 1.299 55.337 54.000 0.063 0.000 0.830 77 D CB -0.132 40.760 40.800 0.153 0.000 0.959 77 D HN 0.334 nan 8.370 nan 0.000 0.452 78 Q N 0.076 119.881 119.800 0.008 0.000 2.084 78 Q HA -0.069 4.263 4.340 -0.014 0.000 0.202 78 Q C 2.231 178.214 176.000 -0.028 0.000 0.978 78 Q CA 1.370 57.173 55.803 -0.001 0.000 0.844 78 Q CB -0.153 28.590 28.738 0.008 0.000 0.898 78 Q HN 0.244 nan 8.270 nan 0.000 0.426 79 A N 1.002 123.785 122.820 -0.061 0.000 1.908 79 A HA -0.181 4.131 4.320 -0.014 0.000 0.218 79 A C 2.029 179.564 177.584 -0.082 0.000 1.181 79 A CA 1.041 53.030 52.037 -0.080 0.000 0.627 79 A CB -0.679 18.249 19.000 -0.120 0.000 0.818 79 A HN 0.352 nan 8.150 nan 0.000 0.445 80 L N -0.122 121.039 121.223 -0.103 0.000 2.027 80 L HA -0.152 4.179 4.340 -0.014 0.000 0.206 80 L C 3.042 179.894 176.870 -0.031 0.000 1.074 80 L CA 2.163 56.958 54.840 -0.075 0.000 0.745 80 L CB -0.597 41.420 42.059 -0.070 0.000 0.898 80 L HN 0.693 nan 8.230 nan 0.000 0.433 81 T N -5.214 109.331 114.554 -0.014 0.000 2.867 81 T HA -0.146 4.196 4.350 -0.014 0.000 0.268 81 T C 1.706 176.402 174.700 -0.005 0.000 1.057 81 T CA 1.504 63.605 62.100 0.001 0.000 1.136 81 T CB -0.543 68.333 68.868 0.013 0.000 0.874 81 T HN 0.196 nan 8.240 nan 0.000 0.466 82 T N 1.633 116.179 114.554 -0.013 0.000 2.777 82 T HA -0.092 4.250 4.350 -0.014 0.000 0.266 82 T C 2.031 176.721 174.700 -0.016 0.000 1.040 82 T CA 1.601 63.693 62.100 -0.012 0.000 1.141 82 T CB -0.391 68.468 68.868 -0.015 0.000 0.868 82 T HN 0.411 nan 8.240 nan 0.000 0.444 83 Q N 0.567 120.352 119.800 -0.025 0.000 2.172 83 Q HA 0.059 4.391 4.340 -0.014 0.000 0.200 83 Q C 2.022 178.008 176.000 -0.024 0.000 0.964 83 Q CA 0.928 56.713 55.803 -0.030 0.000 0.855 83 Q CB -0.619 28.092 28.738 -0.045 0.000 0.918 83 Q HN 0.397 nan 8.270 nan 0.000 0.444 84 L N 0.933 122.147 121.223 -0.015 0.000 2.131 84 L HA -0.122 4.210 4.340 -0.014 0.000 0.210 84 L C 2.067 178.935 176.870 -0.002 0.000 1.092 84 L CA 1.929 56.766 54.840 -0.005 0.000 0.759 84 L CB -0.373 41.688 42.059 0.002 0.000 0.903 84 L HN 0.348 nan 8.230 nan 0.000 0.435 85 R N -1.336 119.162 120.500 -0.004 0.000 2.275 85 R HA 0.001 4.333 4.340 -0.014 0.000 0.199 85 R C 1.494 177.792 176.300 -0.003 0.000 0.989 85 R CA 1.258 57.358 56.100 -0.001 0.000 1.016 85 R CB -0.677 29.623 30.300 0.001 0.000 0.918 85 R HN 0.388 nan 8.270 nan 0.000 0.473 86 V N -1.051 118.858 119.914 -0.008 0.000 2.599 86 V HA 0.338 4.450 4.120 -0.014 0.000 0.237 86 V C 0.944 177.028 176.094 -0.016 0.000 1.081 86 V CA 0.375 62.669 62.300 -0.010 0.000 1.107 86 V CB -0.169 31.648 31.823 -0.011 0.000 0.808 86 V HN 0.369 nan 8.190 nan 0.000 0.486 87 M N 1.119 120.702 119.600 -0.027 0.000 2.294 87 M HA 0.541 5.013 4.480 -0.014 0.000 0.280 87 M C -0.114 176.164 176.300 -0.037 0.000 1.085 87 M CA -0.556 54.723 55.300 -0.034 0.000 0.969 87 M CB 1.864 34.433 32.600 -0.052 0.000 1.770 87 M HN 0.167 nan 8.290 nan 0.000 0.485 88 N N 1.339 120.039 118.700 0.001 0.000 2.109 88 N HA -0.033 4.698 4.740 -0.014 0.000 0.188 88 N C -0.083 175.483 175.510 0.095 0.000 1.034 88 N CA 1.598 54.672 53.050 0.039 0.000 0.846 88 N CB -0.159 38.369 38.487 0.068 0.000 1.010 88 N HN 0.957 nan 8.380 nan 0.000 0.425 89 H N -1.244 117.808 119.070 -0.031 0.000 3.112 89 H HA 0.532 5.079 4.556 -0.014 0.000 0.347 89 H C -1.686 173.617 175.328 -0.041 0.000 1.188 89 H CA -0.799 55.230 56.048 -0.030 0.000 1.240 89 H CB 1.577 31.384 29.762 0.077 0.000 1.920 89 H HN 0.104 nan 8.280 nan 0.000 0.535 90 V N 2.647 122.139 119.914 -0.705 0.000 2.962 90 V HA 0.501 4.612 4.120 -0.014 0.000 0.313 90 V C 0.352 176.083 176.094 -0.606 0.000 1.099 90 V CA -1.133 60.878 62.300 -0.483 0.000 0.971 90 V CB 1.749 33.470 31.823 -0.170 0.000 1.028 90 V HN 1.007 nan 8.190 nan 0.000 0.430 91 M N 1.746 121.181 119.600 -0.274 0.000 2.248 91 M HA 0.353 4.825 4.480 -0.014 0.000 0.345 91 M C -0.034 176.300 176.300 0.056 0.000 1.243 91 M CA 0.366 55.615 55.300 -0.083 0.000 1.090 91 M CB 0.035 32.617 32.600 -0.030 0.000 1.683 91 M HN 0.690 nan 8.290 nan 0.000 0.450 92 F N 1.995 121.910 119.950 -0.058 0.000 2.765 92 F HA 0.374 4.893 4.527 -0.013 0.000 0.302 92 F C 1.223 176.997 175.800 -0.044 0.000 1.111 92 F CA -0.439 57.539 58.000 -0.037 0.000 1.359 92 F CB 0.039 39.030 39.000 -0.016 0.000 1.097 92 F HN 0.796 nan 8.300 nan 0.000 0.577 93 G N -0.218 108.584 108.800 0.004 0.000 2.439 93 G HA2 0.407 4.358 3.960 -0.014 0.000 0.298 93 G HA3 0.407 4.358 3.960 -0.014 0.000 0.298 93 G C 1.060 175.902 174.900 -0.098 0.000 1.044 93 G CA 0.194 45.258 45.100 -0.059 0.000 1.168 93 G HN 0.694 nan 8.290 nan 0.000 0.433 94 G N 1.429 110.135 108.800 -0.155 0.000 2.225 94 G HA2 -0.246 3.706 3.960 -0.014 0.000 0.254 94 G HA3 -0.246 3.706 3.960 -0.014 0.000 0.254 94 G C 0.303 175.113 174.900 -0.149 0.000 0.988 94 G CA 0.485 45.505 45.100 -0.133 0.000 0.625 94 G HN 0.792 nan 8.290 nan 0.000 0.527 95 L N -0.096 121.016 121.223 -0.186 0.000 2.341 95 L HA 0.882 5.214 4.340 -0.014 0.000 0.267 95 L C 0.243 176.948 176.870 -0.275 0.000 1.009 95 L CA -0.666 54.086 54.840 -0.148 0.000 0.819 95 L CB 2.352 44.385 42.059 -0.043 0.000 1.323 95 L HN 0.171 nan 8.230 nan 0.000 0.425 96 T N -0.535 113.920 114.554 -0.166 0.000 2.838 96 T HA 0.656 4.998 4.350 -0.014 0.000 0.292 96 T C -1.527 173.184 174.700 0.018 0.000 1.113 96 T CA -0.416 61.575 62.100 -0.183 0.000 1.008 96 T CB 1.339 70.072 68.868 -0.225 0.000 1.259 96 T HN 0.865 nan 8.240 nan 0.000 0.520 97 H N -0.281 118.868 119.070 0.132 0.000 2.981 97 H HA 0.431 4.979 4.556 -0.014 0.000 0.327 97 H C 0.512 175.883 175.328 0.072 0.000 1.342 97 H CA -0.584 55.510 56.048 0.076 0.000 1.123 97 H CB 1.181 30.977 29.762 0.057 0.000 1.851 97 H HN 0.679 nan 8.280 nan 0.000 0.531 98 E N 0.400 120.728 120.200 0.214 0.000 2.072 98 E HA -0.010 4.332 4.350 -0.014 0.000 0.190 98 E C -0.977 175.704 176.600 0.135 0.000 0.982 98 E CA 0.633 57.108 56.400 0.126 0.000 0.803 98 E CB -0.801 28.949 29.700 0.084 0.000 0.755 98 E HN 0.391 nan 8.360 nan 0.000 0.453 99 P HA -0.190 nan 4.420 nan 0.000 0.215 99 P C 1.099 178.449 177.300 0.084 0.000 1.157 99 P CA 2.227 65.404 63.100 0.128 0.000 0.874 99 P CB -0.147 31.615 31.700 0.103 0.000 0.790 100 A N -0.239 122.636 122.820 0.092 0.000 1.908 100 A HA -0.169 4.143 4.320 -0.014 0.000 0.218 100 A C 2.336 179.986 177.584 0.111 0.000 1.181 100 A CA 2.411 54.402 52.037 -0.076 0.000 0.627 100 A CB -1.625 17.191 19.000 -0.308 0.000 0.818 100 A HN 0.218 nan 8.150 nan 0.000 0.445 101 A N -0.522 122.348 122.820 0.083 0.000 1.872 101 A HA -0.098 4.214 4.320 -0.014 0.000 0.214 101 A C 2.239 179.882 177.584 0.098 0.000 1.187 101 A CA 1.360 53.454 52.037 0.096 0.000 0.614 101 A CB -0.463 18.574 19.000 0.062 0.000 0.826 101 A HN 0.523 nan 8.150 nan 0.000 0.442 102 R N -0.721 119.829 120.500 0.083 0.000 2.083 102 R HA -0.086 4.245 4.340 -0.014 0.000 0.237 102 R C 2.178 178.538 176.300 0.100 0.000 1.137 102 R CA 1.500 57.645 56.100 0.076 0.000 0.951 102 R CB -0.533 29.801 30.300 0.057 0.000 0.851 102 R HN 0.524 nan 8.270 nan 0.000 0.434 103 L N 0.117 121.414 121.223 0.124 0.000 2.005 103 L HA -0.163 4.169 4.340 -0.014 0.000 0.207 103 L C 2.482 179.501 176.870 0.249 0.000 1.072 103 L CA 1.473 56.425 54.840 0.186 0.000 0.744 103 L CB -0.527 41.644 42.059 0.188 0.000 0.895 103 L HN 0.258 nan 8.230 nan 0.000 0.433 104 A N -0.011 122.980 122.820 0.286 0.000 1.908 104 A HA -0.302 4.009 4.320 -0.014 0.000 0.218 104 A C 2.219 179.857 177.584 0.089 0.000 1.181 104 A CA 2.191 54.330 52.037 0.169 0.000 0.627 104 A CB -0.489 18.604 19.000 0.154 0.000 0.818 104 A HN 0.331 nan 8.150 nan 0.000 0.445 105 K N -0.058 120.396 120.400 0.090 0.000 2.026 105 K HA -0.018 4.293 4.320 -0.014 0.000 0.208 105 K C 1.787 178.428 176.600 0.068 0.000 1.048 105 K CA 1.474 57.799 56.287 0.063 0.000 0.929 105 K CB -0.636 31.899 32.500 0.059 0.000 0.713 105 K HN 0.445 nan 8.250 nan 0.000 0.439 106 L N 0.184 121.462 121.223 0.092 0.000 2.012 106 L HA -0.217 4.115 4.340 -0.014 0.000 0.210 106 L C 2.357 179.294 176.870 0.112 0.000 1.073 106 L CA 1.403 56.306 54.840 0.106 0.000 0.748 106 L CB -0.388 41.748 42.059 0.127 0.000 0.891 106 L HN 0.217 nan 8.230 nan 0.000 0.431 107 L N -1.392 119.903 121.223 0.120 0.000 2.056 107 L HA -0.191 4.140 4.340 -0.014 0.000 0.207 107 L C 2.470 179.336 176.870 -0.006 0.000 1.078 107 L CA 0.768 55.662 54.840 0.089 0.000 0.749 107 L CB -0.455 41.658 42.059 0.091 0.000 0.901 107 L HN 0.077 nan 8.230 nan 0.000 0.433 108 V N -0.209 119.699 119.914 -0.010 0.000 2.490 108 V HA -0.272 3.840 4.120 -0.014 0.000 0.250 108 V C 1.966 178.046 176.094 -0.024 0.000 1.061 108 V CA 1.758 64.034 62.300 -0.039 0.000 1.064 108 V CB -0.466 31.339 31.823 -0.029 0.000 0.670 108 V HN 0.425 nan 8.190 nan 0.000 0.461 109 D N 0.073 120.480 120.400 0.012 0.000 2.183 109 D HA -0.044 4.588 4.640 -0.014 0.000 0.203 109 D C 1.915 178.238 176.300 0.037 0.000 0.969 109 D CA 1.535 55.551 54.000 0.026 0.000 0.842 109 D CB -0.013 40.815 40.800 0.046 0.000 0.957 109 D HN 0.647 nan 8.370 nan 0.000 0.484 110 I N -1.532 119.070 120.570 0.054 0.000 3.645 110 I HA 0.124 4.286 4.170 -0.014 0.000 0.300 110 I C 0.684 176.855 176.117 0.090 0.000 1.260 110 I CA -0.008 61.358 61.300 0.110 0.000 1.365 110 I CB -0.141 37.969 38.000 0.183 0.000 1.077 110 I HN -0.224 nan 8.210 nan 0.000 0.439 111 T N 0.025 114.509 114.554 -0.117 0.000 2.849 111 T HA 0.411 4.752 4.350 -0.014 0.000 0.284 111 T C -2.348 172.233 174.700 -0.198 0.000 1.004 111 T CA -1.470 60.389 62.100 -0.403 0.000 1.021 111 T CB 0.023 68.560 68.868 -0.551 0.000 1.013 111 T HN -0.058 nan 8.240 nan 0.000 0.527 112 P HA 0.190 nan 4.420 nan 0.000 0.263 112 P C -0.233 177.010 177.300 -0.095 0.000 1.168 112 P CA 0.112 63.154 63.100 -0.096 0.000 0.759 112 P CB -0.083 31.566 31.700 -0.085 0.000 0.782 113 A N 3.329 126.115 122.820 -0.056 0.000 2.540 113 A HA 0.400 4.712 4.320 -0.014 0.000 0.239 113 A C 1.596 179.133 177.584 -0.077 0.000 1.061 113 A CA 0.857 52.861 52.037 -0.054 0.000 0.758 113 A CB -1.063 17.918 19.000 -0.031 0.000 0.991 113 A HN 0.900 nan 8.150 nan 0.000 0.502 114 G N 0.789 109.542 108.800 -0.078 0.000 2.213 114 G HA2 -0.180 3.772 3.960 -0.014 0.000 0.226 114 G HA3 -0.180 3.772 3.960 -0.014 0.000 0.226 114 G C 0.078 174.908 174.900 -0.118 0.000 0.992 114 G CA 0.116 45.160 45.100 -0.092 0.000 0.632 114 G HN 0.860 nan 8.290 nan 0.000 0.511 115 L N 2.338 123.484 121.223 -0.128 0.000 2.295 115 L HA 0.475 4.807 4.340 -0.014 0.000 0.288 115 L C 0.570 177.366 176.870 -0.124 0.000 1.079 115 L CA 0.214 54.965 54.840 -0.147 0.000 0.830 115 L CB 0.924 42.877 42.059 -0.176 0.000 1.200 115 L HN 0.373 nan 8.230 nan 0.000 0.438 116 D N 0.169 120.497 120.400 -0.120 0.000 2.582 116 D HA 0.068 4.700 4.640 -0.014 0.000 0.246 116 D C -0.069 176.178 176.300 -0.090 0.000 1.334 116 D CA -0.126 53.819 54.000 -0.093 0.000 0.805 116 D CB 0.793 41.547 40.800 -0.076 0.000 1.087 116 D HN 0.216 nan 8.370 nan 0.000 0.499 117 T N 0.191 114.681 114.554 -0.106 0.000 2.881 117 T HA 0.515 4.856 4.350 -0.014 0.000 0.290 117 T C -0.961 173.676 174.700 -0.106 0.000 1.000 117 T CA -0.487 61.559 62.100 -0.090 0.000 0.978 117 T CB 2.376 71.189 68.868 -0.092 0.000 0.997 117 T HN -0.101 nan 8.240 nan 0.000 0.443 118 V N 3.917 123.758 119.914 -0.121 0.000 2.487 118 V HA 0.581 4.692 4.120 -0.014 0.000 0.298 118 V C -1.099 174.866 176.094 -0.215 0.000 1.028 118 V CA -0.917 61.236 62.300 -0.244 0.000 0.860 118 V CB 1.564 33.123 31.823 -0.441 0.000 0.991 118 V HN 0.849 nan 8.190 nan 0.000 0.427 119 F N 5.390 125.149 119.950 -0.319 0.000 2.403 119 F HA 0.657 5.176 4.527 -0.014 0.000 0.355 119 F C -0.506 175.163 175.800 -0.218 0.000 1.119 119 F CA -1.160 56.727 58.000 -0.188 0.000 1.007 119 F CB 0.855 39.806 39.000 -0.082 0.000 1.194 119 F HN 0.371 nan 8.300 nan 0.000 0.443 120 F N 4.178 124.074 119.950 -0.090 0.000 2.412 120 F HA 0.455 4.974 4.527 -0.013 0.000 0.348 120 F C 0.714 176.551 175.800 0.062 0.000 1.102 120 F CA 0.051 58.029 58.000 -0.037 0.000 1.196 120 F CB 1.185 40.068 39.000 -0.196 0.000 1.144 120 F HN 0.544 nan 8.300 nan 0.000 0.541 121 S N 0.531 116.438 115.700 0.345 0.000 2.806 121 S HA 0.418 4.879 4.470 -0.014 0.000 0.306 121 S C -0.309 174.404 174.600 0.188 0.000 1.167 121 S CA -0.884 57.476 58.200 0.266 0.000 0.847 121 S CB 1.839 65.204 63.200 0.275 0.000 1.216 121 S HN 0.494 nan 8.310 nan 0.000 0.532 122 D N 0.805 121.295 120.400 0.150 0.000 2.389 122 D HA 0.266 4.898 4.640 -0.014 0.000 0.206 122 D C 0.385 176.737 176.300 0.086 0.000 1.055 122 D CA 0.697 54.758 54.000 0.101 0.000 0.856 122 D CB 0.588 41.442 40.800 0.089 0.000 0.957 122 D HN 0.634 nan 8.370 nan 0.000 0.509 123 S N -2.192 113.568 115.700 0.100 0.000 2.596 123 S HA 0.519 4.980 4.470 -0.014 0.000 0.270 123 S C 1.137 175.790 174.600 0.088 0.000 1.155 123 S CA -0.397 57.858 58.200 0.092 0.000 0.827 123 S CB 1.526 64.777 63.200 0.086 0.000 1.130 123 S HN -0.061 nan 8.310 nan 0.000 0.467 124 G N 1.419 110.267 108.800 0.081 0.000 2.446 124 G HA2 -0.139 3.812 3.960 -0.014 0.000 0.217 124 G HA3 -0.139 3.812 3.960 -0.014 0.000 0.217 124 G C 1.354 176.275 174.900 0.036 0.000 1.168 124 G CA 1.222 46.355 45.100 0.056 0.000 0.771 124 G HN 0.743 nan 8.290 nan 0.000 0.551 125 S N -0.248 115.475 115.700 0.039 0.000 2.359 125 S HA -0.138 4.324 4.470 -0.014 0.000 0.224 125 S C 2.550 177.161 174.600 0.019 0.000 1.035 125 S CA 1.348 59.557 58.200 0.014 0.000 1.018 125 S CB -0.299 62.916 63.200 0.025 0.000 0.876 125 S HN 0.194 nan 8.310 nan 0.000 0.448 126 V N 2.090 122.030 119.914 0.043 0.000 2.407 126 V HA -0.150 3.961 4.120 -0.014 0.000 0.248 126 V C 2.641 178.753 176.094 0.030 0.000 1.055 126 V CA 1.871 64.200 62.300 0.047 0.000 1.049 126 V CB -1.045 30.829 31.823 0.084 0.000 0.662 126 V HN 0.710 nan 8.190 nan 0.000 0.455 127 S N -0.156 115.571 115.700 0.045 0.000 2.399 127 S HA -0.148 4.314 4.470 -0.014 0.000 0.231 127 S C 1.927 176.510 174.600 -0.028 0.000 1.022 127 S CA 1.621 59.836 58.200 0.025 0.000 0.983 127 S CB -0.451 62.783 63.200 0.057 0.000 0.803 127 S HN 0.318 nan 8.310 nan 0.000 0.480 128 V N 2.226 122.125 119.914 -0.024 0.000 2.358 128 V HA -0.110 4.002 4.120 -0.014 0.000 0.246 128 V C 2.866 178.916 176.094 -0.073 0.000 1.047 128 V CA 1.975 64.243 62.300 -0.052 0.000 1.035 128 V CB -0.732 31.069 31.823 -0.038 0.000 0.658 128 V HN 0.549 nan 8.190 nan 0.000 0.452 129 E N -0.021 120.146 120.200 -0.056 0.000 2.077 129 E HA -0.175 4.167 4.350 -0.014 0.000 0.193 129 E C 2.314 178.851 176.600 -0.104 0.000 0.989 129 E CA 1.508 57.871 56.400 -0.062 0.000 0.800 129 E CB -0.242 29.440 29.700 -0.030 0.000 0.746 129 E HN 0.467 nan 8.360 nan 0.000 0.452 130 V N 1.644 121.474 119.914 -0.139 0.000 2.332 130 V HA -0.295 3.817 4.120 -0.014 0.000 0.248 130 V C 2.435 178.387 176.094 -0.236 0.000 1.055 130 V CA 1.877 64.016 62.300 -0.267 0.000 1.038 130 V CB -0.798 30.785 31.823 -0.401 0.000 0.651 130 V HN 0.288 nan 8.190 nan 0.000 0.450 131 A N -0.045 122.674 122.820 -0.170 0.000 1.908 131 A HA -0.144 4.167 4.320 -0.014 0.000 0.218 131 A C 2.425 179.929 177.584 -0.134 0.000 1.181 131 A CA 2.192 54.138 52.037 -0.153 0.000 0.627 131 A CB -0.769 18.153 19.000 -0.129 0.000 0.818 131 A HN 0.586 nan 8.150 nan 0.000 0.445 132 A N -0.355 122.396 122.820 -0.116 0.000 1.898 132 A HA -0.137 4.175 4.320 -0.014 0.000 0.216 132 A C 2.109 179.650 177.584 -0.071 0.000 1.181 132 A CA 1.793 53.777 52.037 -0.088 0.000 0.620 132 A CB -0.397 18.555 19.000 -0.080 0.000 0.819 132 A HN 0.543 nan 8.150 nan 0.000 0.442 133 K N -0.924 119.419 120.400 -0.094 0.000 2.057 133 K HA -0.047 4.265 4.320 -0.014 0.000 0.207 133 K C 2.080 178.630 176.600 -0.084 0.000 1.049 133 K CA 1.628 57.863 56.287 -0.086 0.000 0.931 133 K CB -0.271 32.157 32.500 -0.121 0.000 0.714 133 K HN 0.490 nan 8.250 nan 0.000 0.440 134 M N 0.214 119.739 119.600 -0.125 0.000 2.117 134 M HA -0.179 4.293 4.480 -0.014 0.000 0.262 134 M C 2.397 178.654 176.300 -0.071 0.000 1.065 134 M CA 1.682 56.914 55.300 -0.113 0.000 1.114 134 M CB -0.311 32.194 32.600 -0.158 0.000 1.361 134 M HN 0.228 nan 8.290 nan 0.000 0.408 135 A N 0.051 122.829 122.820 -0.071 0.000 1.902 135 A HA -0.134 4.177 4.320 -0.014 0.000 0.217 135 A C 2.007 179.667 177.584 0.127 0.000 1.181 135 A CA 1.464 53.489 52.037 -0.019 0.000 0.623 135 A CB -0.702 18.302 19.000 0.006 0.000 0.818 135 A HN 0.360 nan 8.150 nan 0.000 0.443 136 L N -0.720 120.563 121.223 0.101 0.000 2.072 136 L HA -0.128 4.204 4.340 -0.014 0.000 0.205 136 L C 2.595 179.540 176.870 0.124 0.000 1.079 136 L CA 1.500 56.425 54.840 0.142 0.000 0.752 136 L CB -0.437 41.662 42.059 0.066 0.000 0.906 136 L HN 0.298 nan 8.230 nan 0.000 0.436 137 Q N -1.852 117.982 119.800 0.056 0.000 2.230 137 Q HA -0.197 4.135 4.340 -0.014 0.000 0.202 137 Q C 2.065 178.073 176.000 0.012 0.000 0.963 137 Q CA 1.148 56.968 55.803 0.028 0.000 0.866 137 Q CB -0.416 28.321 28.738 -0.002 0.000 0.931 137 Q HN 0.579 nan 8.270 nan 0.000 0.452 138 Y N -0.677 119.534 120.300 -0.147 0.000 2.114 138 Y HA -0.246 4.296 4.550 -0.014 0.000 0.284 138 Y C 1.691 177.409 175.900 -0.303 0.000 1.143 138 Y CA 1.674 59.596 58.100 -0.296 0.000 1.135 138 Y CB -0.460 37.702 38.460 -0.496 0.000 0.980 138 Y HN 0.053 nan 8.280 nan 0.000 0.499 139 W N 0.439 121.785 121.300 0.078 0.000 2.425 139 W HA -0.064 4.588 4.660 -0.014 0.000 0.277 139 W C 2.475 178.942 176.519 -0.086 0.000 1.231 139 W CA 1.005 58.337 57.345 -0.022 0.000 1.248 139 W CB -0.174 29.331 29.460 0.074 0.000 1.117 139 W HN -0.086 nan 8.180 nan 0.000 0.568 140 R N -0.229 120.343 120.500 0.119 0.000 2.092 140 R HA -0.046 4.286 4.340 -0.014 0.000 0.231 140 R C 2.476 178.759 176.300 -0.028 0.000 1.119 140 R CA 1.333 57.461 56.100 0.048 0.000 0.970 140 R CB -0.977 29.346 30.300 0.039 0.000 0.864 140 R HN 0.198 nan 8.270 nan 0.000 0.440 141 G N 0.011 108.747 108.800 -0.107 0.000 2.679 141 G HA2 -0.166 3.785 3.960 -0.014 0.000 0.212 141 G HA3 -0.166 3.785 3.960 -0.014 0.000 0.212 141 G C 1.322 176.105 174.900 -0.195 0.000 1.137 141 G CA 0.094 45.102 45.100 -0.153 0.000 0.787 141 G HN 0.075 nan 8.290 nan 0.000 0.534 142 R N -0.456 119.928 120.500 -0.193 0.000 2.362 142 R HA 0.185 4.517 4.340 -0.014 0.000 0.227 142 R C 1.586 177.887 176.300 0.001 0.000 0.905 142 R CA 0.520 56.540 56.100 -0.134 0.000 1.067 142 R CB 0.258 30.482 30.300 -0.126 0.000 1.078 142 R HN 0.359 nan 8.270 nan 0.000 0.516 143 G N 1.222 110.029 108.800 0.011 0.000 2.132 143 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.234 143 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.234 143 G C 0.113 175.042 174.900 0.050 0.000 0.989 143 G CA -0.064 45.051 45.100 0.024 0.000 0.676 143 G HN 0.275 nan 8.290 nan 0.000 0.522 144 L N 0.564 121.845 121.223 0.097 0.000 2.839 144 L HA 0.281 4.613 4.340 -0.014 0.000 0.259 144 L C -1.216 175.706 176.870 0.088 0.000 1.369 144 L CA -1.499 53.393 54.840 0.086 0.000 0.845 144 L CB 1.281 43.405 42.059 0.109 0.000 1.181 144 L HN -0.045 nan 8.230 nan 0.000 0.529 145 P HA -0.066 nan 4.420 nan 0.000 0.239 145 P C 1.411 178.725 177.300 0.024 0.000 1.184 145 P CA 0.661 63.795 63.100 0.056 0.000 0.760 145 P CB 0.299 32.021 31.700 0.035 0.000 0.884 146 G N 0.410 109.208 108.800 -0.003 0.000 2.572 146 G HA2 -0.137 3.815 3.960 -0.014 0.000 0.216 146 G HA3 -0.137 3.815 3.960 -0.014 0.000 0.216 146 G C 0.798 175.664 174.900 -0.058 0.000 1.133 146 G CA -0.025 45.059 45.100 -0.028 0.000 0.791 146 G HN 0.275 nan 8.290 nan 0.000 0.538 147 K N 0.821 121.169 120.400 -0.088 0.000 2.127 147 K HA 0.324 4.636 4.320 -0.014 0.000 0.261 147 K C 0.742 177.313 176.600 -0.049 0.000 1.129 147 K CA -0.089 56.094 56.287 -0.175 0.000 0.993 147 K CB 0.520 32.718 32.500 -0.503 0.000 1.410 147 K HN 0.130 nan 8.250 nan 0.000 0.380 148 R N 0.799 121.274 120.500 -0.042 0.000 2.453 148 R HA 0.133 4.465 4.340 -0.014 0.000 0.233 148 R C 0.219 176.500 176.300 -0.031 0.000 0.895 148 R CA -0.167 55.927 56.100 -0.009 0.000 1.028 148 R CB 0.726 31.021 30.300 -0.009 0.000 1.255 148 R HN 0.214 nan 8.270 nan 0.000 0.571 149 R N 0.723 121.184 120.500 -0.064 0.000 2.596 149 R HA 0.475 4.807 4.340 -0.014 0.000 0.267 149 R C -0.524 175.708 176.300 -0.114 0.000 1.026 149 R CA -0.526 55.518 56.100 -0.093 0.000 1.087 149 R CB 1.060 31.287 30.300 -0.122 0.000 1.132 149 R HN -0.108 nan 8.270 nan 0.000 0.531 150 L N 1.532 122.665 121.223 -0.149 0.000 2.342 150 L HA 0.581 4.913 4.340 -0.014 0.000 0.271 150 L C -0.381 176.332 176.870 -0.261 0.000 1.008 150 L CA -0.750 53.982 54.840 -0.179 0.000 0.818 150 L CB 1.906 43.856 42.059 -0.182 0.000 1.296 150 L HN 0.457 nan 8.230 nan 0.000 0.427 151 M N 1.667 121.116 119.600 -0.252 0.000 2.465 151 M HA 0.588 5.060 4.480 -0.014 0.000 0.316 151 M C -0.845 175.284 176.300 -0.285 0.000 1.121 151 M CA 0.041 55.156 55.300 -0.309 0.000 0.934 151 M CB 2.246 34.692 32.600 -0.257 0.000 1.692 151 M HN 0.671 nan 8.290 nan 0.000 0.444 152 T N 2.632 116.970 114.554 -0.360 0.000 2.787 152 T HA 0.745 5.086 4.350 -0.014 0.000 0.297 152 T C -2.091 172.616 174.700 0.011 0.000 1.221 152 T CA -0.502 61.456 62.100 -0.236 0.000 1.006 152 T CB 0.842 69.574 68.868 -0.228 0.000 1.328 152 T HN 0.721 nan 8.240 nan 0.000 0.509 153 W N 1.367 122.808 121.300 0.235 0.000 2.509 153 W HA 0.831 5.482 4.660 -0.014 0.000 0.351 153 W C 0.027 176.731 176.519 0.309 0.000 1.107 153 W CA -1.621 55.899 57.345 0.292 0.000 1.264 153 W CB -0.372 29.289 29.460 0.335 0.000 1.312 153 W HN 0.679 nan 8.180 nan 0.000 0.608 154 R N 0.384 121.231 120.500 0.578 0.000 2.827 154 R HA 0.399 4.731 4.340 -0.014 0.000 0.269 154 R C 1.236 177.703 176.300 0.278 0.000 1.048 154 R CA 1.248 57.583 56.100 0.392 0.000 1.173 154 R CB -0.058 30.364 30.300 0.204 0.000 1.070 154 R HN 1.092 nan 8.270 nan 0.000 0.498 155 G N -0.295 108.632 108.800 0.212 0.000 2.175 155 G HA2 -0.209 3.742 3.960 -0.014 0.000 0.244 155 G HA3 -0.209 3.742 3.960 -0.014 0.000 0.244 155 G C 0.322 175.349 174.900 0.212 0.000 0.982 155 G CA -0.203 44.989 45.100 0.153 0.000 0.641 155 G HN 0.883 nan 8.290 nan 0.000 0.527 156 G N -0.895 108.088 108.800 0.304 0.000 2.451 156 G HA2 0.643 4.595 3.960 -0.014 0.000 0.303 156 G HA3 0.643 4.595 3.960 -0.014 0.000 0.303 156 G C -1.015 173.987 174.900 0.170 0.000 1.166 156 G CA -0.514 44.735 45.100 0.248 0.000 0.884 156 G HN 1.025 nan 8.290 nan 0.000 0.514 157 Y N 0.141 120.292 120.300 -0.247 0.000 2.421 157 Y HA 0.478 5.020 4.550 -0.014 0.000 0.339 157 Y C -0.023 175.569 175.900 -0.512 0.000 0.996 157 Y CA -1.047 56.938 58.100 -0.192 0.000 1.046 157 Y CB 1.665 40.111 38.460 -0.023 0.000 1.226 157 Y HN 0.605 nan 8.280 nan 0.000 0.445 158 H N 3.942 122.632 119.070 -0.634 0.000 3.052 158 H HA 0.474 5.022 4.556 -0.014 0.000 0.257 158 H C 0.549 175.536 175.328 -0.567 0.000 1.193 158 H CA 0.300 56.069 56.048 -0.465 0.000 1.072 158 H CB 1.005 30.657 29.762 -0.184 0.000 1.685 158 H HN 0.911 nan 8.280 nan 0.000 0.630 159 G N 0.848 109.033 108.800 -1.025 0.000 2.371 159 G HA2 -0.186 3.766 3.960 -0.014 0.000 0.663 159 G HA3 -0.186 3.766 3.960 -0.014 0.000 0.663 159 G C -0.831 173.970 174.900 -0.164 0.000 1.311 159 G CA -0.206 44.645 45.100 -0.417 0.000 0.985 159 G HN 0.145 nan 8.290 nan 0.000 0.566 160 D N -0.329 120.074 120.400 0.005 0.000 2.500 160 D HA 0.266 4.898 4.640 -0.014 0.000 0.217 160 D C 1.685 177.907 176.300 -0.131 0.000 1.159 160 D CA 1.064 55.064 54.000 -0.001 0.000 0.828 160 D CB 0.376 41.228 40.800 0.087 0.000 1.039 160 D HN 0.816 nan 8.370 nan 0.000 0.512 161 T N -2.325 112.179 114.554 -0.084 0.000 2.856 161 T HA 0.083 4.425 4.350 -0.014 0.000 0.306 161 T C 1.516 176.138 174.700 -0.130 0.000 1.062 161 T CA -0.404 61.654 62.100 -0.070 0.000 1.083 161 T CB 0.393 69.272 68.868 0.019 0.000 0.984 161 T HN -0.119 nan 8.240 nan 0.000 0.542 162 F N 0.367 120.228 119.950 -0.148 0.000 2.202 162 F HA -0.048 4.471 4.527 -0.014 0.000 0.301 162 F C 2.291 178.003 175.800 -0.146 0.000 1.082 162 F CA 0.902 58.783 58.000 -0.198 0.000 1.313 162 F CB -0.271 38.623 39.000 -0.177 0.000 1.024 162 F HN 0.401 nan 8.300 nan 0.000 0.495 163 L N 0.092 121.363 121.223 0.080 0.000 2.095 163 L HA -0.008 4.323 4.340 -0.014 0.000 0.204 163 L C 2.308 179.172 176.870 -0.010 0.000 1.080 163 L CA 1.975 56.828 54.840 0.022 0.000 0.759 163 L CB -1.379 40.684 42.059 0.006 0.000 0.914 163 L HN 0.128 nan 8.230 nan 0.000 0.439 164 A N 0.168 122.974 122.820 -0.023 0.000 1.898 164 A HA -0.217 4.095 4.320 -0.014 0.000 0.216 164 A C 2.238 179.828 177.584 0.010 0.000 1.181 164 A CA 1.764 53.787 52.037 -0.024 0.000 0.620 164 A CB -0.478 18.490 19.000 -0.054 0.000 0.819 164 A HN 0.519 nan 8.150 nan 0.000 0.442 165 M N 0.607 120.181 119.600 -0.043 0.000 2.195 165 M HA -0.179 4.292 4.480 -0.014 0.000 0.260 165 M C 2.373 178.733 176.300 0.101 0.000 1.066 165 M CA 1.779 57.068 55.300 -0.019 0.000 1.089 165 M CB -0.462 31.972 32.600 -0.278 0.000 1.377 165 M HN 0.670 nan 8.290 nan 0.000 0.411 166 S N 0.930 116.659 115.700 0.047 0.000 2.447 166 S HA -0.094 4.368 4.470 -0.014 0.000 0.233 166 S C 1.425 176.220 174.600 0.326 0.000 1.006 166 S CA 0.937 59.211 58.200 0.123 0.000 0.957 166 S CB -0.802 62.424 63.200 0.043 0.000 0.773 166 S HN 0.728 nan 8.310 nan 0.000 0.507 167 I N -1.591 119.130 120.570 0.253 0.000 4.025 167 I HA 0.468 4.630 4.170 -0.014 0.000 0.336 167 I C 0.054 176.466 176.117 0.492 0.000 1.390 167 I CA -0.945 60.493 61.300 0.231 0.000 1.099 167 I CB -0.418 37.546 38.000 -0.061 0.000 1.049 167 I HN 0.116 nan 8.210 nan 0.000 0.394 168 C N 1.603 121.202 119.300 0.498 0.000 2.520 168 C HA 0.196 4.648 4.460 -0.014 0.000 0.376 168 C C 0.785 175.996 174.990 0.369 0.000 1.268 168 C CA -0.069 59.208 59.018 0.432 0.000 2.414 168 C CB 0.453 28.411 27.740 0.363 0.000 2.521 168 C HN 0.483 nan 8.230 nan 0.000 0.618 169 D N 1.904 122.459 120.400 0.257 0.000 2.581 169 D HA 0.024 4.656 4.640 -0.014 0.000 0.238 169 D C -1.512 174.611 176.300 -0.295 0.000 1.145 169 D CA -0.505 53.532 54.000 0.061 0.000 0.866 169 D CB 0.673 41.544 40.800 0.117 0.000 1.151 169 D HN 0.270 nan 8.370 nan 0.000 0.500 170 P HA -0.150 nan 4.420 nan 0.000 0.218 170 P C 0.673 177.701 177.300 -0.453 0.000 1.148 170 P CA 1.193 63.668 63.100 -1.042 0.000 0.822 170 P CB 0.109 31.338 31.700 -0.785 0.000 0.784 171 H N -0.804 118.102 119.070 -0.273 0.000 2.343 171 H HA 0.054 4.602 4.556 -0.014 0.000 0.303 171 H C 2.123 177.425 175.328 -0.043 0.000 1.068 171 H CA 1.961 57.938 56.048 -0.118 0.000 1.359 171 H CB -0.774 28.936 29.762 -0.086 0.000 1.402 171 H HN -0.017 nan 8.280 nan 0.000 0.515 172 G N -0.924 107.919 108.800 0.073 0.000 2.448 172 G HA2 -0.183 3.769 3.960 -0.014 0.000 0.219 172 G HA3 -0.183 3.769 3.960 -0.014 0.000 0.219 172 G C 1.640 176.603 174.900 0.106 0.000 1.127 172 G CA 0.668 45.828 45.100 0.101 0.000 0.766 172 G HN 0.538 nan 8.290 nan 0.000 0.552 173 G N -0.462 108.393 108.800 0.092 0.000 3.189 173 G HA2 0.291 4.243 3.960 -0.014 0.000 0.225 173 G HA3 0.291 4.243 3.960 -0.014 0.000 0.225 173 G C 0.880 176.016 174.900 0.394 0.000 1.159 173 G CA -0.048 45.215 45.100 0.271 0.000 0.763 173 G HN 0.215 nan 8.290 nan 0.000 0.549 174 M N 0.528 120.235 119.600 0.178 0.000 2.249 174 M HA -0.210 4.262 4.480 -0.014 0.000 0.198 174 M C 0.570 177.068 176.300 0.330 0.000 0.394 174 M CA 0.663 56.052 55.300 0.148 0.000 0.427 174 M CB -2.838 29.824 32.600 0.103 0.000 1.307 174 M HN 0.555 nan 8.290 nan 0.000 0.924 175 H N -1.297 117.858 119.070 0.142 0.000 2.543 175 H HA -0.030 4.517 4.556 -0.014 0.000 0.286 175 H C 1.758 177.169 175.328 0.138 0.000 1.037 175 H CA 1.141 57.299 56.048 0.183 0.000 1.250 175 H CB 0.418 30.233 29.762 0.088 0.000 1.373 175 H HN 0.579 nan 8.280 nan 0.000 0.580 176 S N 0.773 116.580 115.700 0.178 0.000 2.395 176 S HA -0.044 4.418 4.470 -0.014 0.000 0.225 176 S C 1.554 176.183 174.600 0.049 0.000 1.027 176 S CA 0.535 58.790 58.200 0.091 0.000 0.965 176 S CB 0.036 63.260 63.200 0.040 0.000 0.812 176 S HN 0.353 nan 8.310 nan 0.000 0.482 177 L N -1.887 119.332 121.223 -0.006 0.000 3.001 177 L HA 0.466 4.798 4.340 -0.014 0.000 0.234 177 L C -0.167 176.505 176.870 -0.330 0.000 1.321 177 L CA -0.143 54.600 54.840 -0.161 0.000 1.138 177 L CB -0.778 41.139 42.059 -0.237 0.000 1.503 177 L HN 0.237 nan 8.230 nan 0.000 0.487 178 W N -1.249 120.072 121.300 0.035 0.000 1.197 178 W HA 0.148 4.800 4.660 -0.014 0.000 0.197 178 W C 1.010 177.545 176.519 0.028 0.000 0.758 178 W CA -0.584 56.779 57.345 0.030 0.000 1.092 178 W CB 0.728 30.180 29.460 -0.013 0.000 0.854 178 W HN -0.018 nan 8.180 nan 0.000 0.413 179 T N 1.788 116.460 114.554 0.197 0.000 2.849 179 T HA -0.035 4.306 4.350 -0.014 0.000 0.289 179 T C 0.920 175.697 174.700 0.129 0.000 1.010 179 T CA 1.765 63.948 62.100 0.138 0.000 1.161 179 T CB 0.182 69.103 68.868 0.088 0.000 0.989 179 T HN 0.354 nan 8.240 nan 0.000 0.523 180 D N 1.988 122.453 120.400 0.109 0.000 2.792 180 D HA -0.152 4.480 4.640 -0.014 0.000 0.192 180 D C 1.026 177.385 176.300 0.098 0.000 1.007 180 D CA 1.100 55.152 54.000 0.087 0.000 1.020 180 D CB -1.293 39.549 40.800 0.070 0.000 1.089 180 D HN 0.464 nan 8.370 nan 0.000 0.438 181 V N 0.222 120.229 119.914 0.155 0.000 3.125 181 V HA 0.125 4.237 4.120 -0.014 0.000 0.249 181 V C 1.198 177.378 176.094 0.142 0.000 1.113 181 V CA 0.577 62.983 62.300 0.178 0.000 1.106 181 V CB 0.288 32.325 31.823 0.358 0.000 0.768 181 V HN 0.114 nan 8.190 nan 0.000 0.468 182 L N 0.557 121.842 121.223 0.104 0.000 2.325 182 L HA 0.658 4.990 4.340 -0.014 0.000 0.279 182 L C 0.541 177.429 176.870 0.029 0.000 1.054 182 L CA -0.553 54.304 54.840 0.028 0.000 0.804 182 L CB 1.168 43.155 42.059 -0.121 0.000 1.200 182 L HN 0.138 nan 8.230 nan 0.000 0.436 183 A N 2.085 124.919 122.820 0.023 0.000 2.531 183 A HA 0.430 4.742 4.320 -0.014 0.000 0.236 183 A C 0.343 177.958 177.584 0.052 0.000 1.062 183 A CA 0.021 52.072 52.037 0.025 0.000 0.760 183 A CB 0.138 19.143 19.000 0.008 0.000 0.995 183 A HN 0.805 nan 8.150 nan 0.000 0.501 184 A N 3.219 126.073 122.820 0.056 0.000 2.279 184 A HA 0.550 4.861 4.320 -0.014 0.000 0.306 184 A C 0.233 177.853 177.584 0.060 0.000 1.300 184 A CA -0.548 51.547 52.037 0.096 0.000 0.925 184 A CB 0.127 19.176 19.000 0.082 0.000 1.152 184 A HN 0.819 nan 8.150 nan 0.000 0.544 185 Q N 0.978 120.839 119.800 0.103 0.000 2.252 185 Q HA 0.491 4.823 4.340 -0.014 0.000 0.256 185 Q C -0.455 175.460 176.000 -0.142 0.000 1.020 185 Q CA -0.813 54.935 55.803 -0.091 0.000 0.913 185 Q CB 1.567 30.168 28.738 -0.229 0.000 1.286 185 Q HN 0.425 nan 8.270 nan 0.000 0.480 186 V N 1.687 121.393 119.914 -0.346 0.000 2.432 186 V HA 0.264 4.376 4.120 -0.014 0.000 0.271 186 V C -0.578 175.262 176.094 -0.423 0.000 1.046 186 V CA -0.103 61.987 62.300 -0.349 0.000 0.945 186 V CB -0.248 31.264 31.823 -0.518 0.000 0.992 186 V HN 0.454 nan 8.190 nan 0.000 0.471 187 F N 3.304 123.196 119.950 -0.097 0.000 2.402 187 F HA 0.706 5.224 4.527 -0.014 0.000 0.355 187 F C 0.629 176.396 175.800 -0.056 0.000 1.123 187 F CA -0.419 57.562 58.000 -0.031 0.000 1.021 187 F CB 1.473 40.492 39.000 0.033 0.000 1.160 187 F HN 0.571 nan 8.300 nan 0.000 0.451 188 A N 5.016 127.875 122.820 0.065 0.000 2.304 188 A HA 0.716 5.028 4.320 -0.014 0.000 0.271 188 A C -2.472 175.275 177.584 0.271 0.000 1.091 188 A CA -1.648 50.415 52.037 0.043 0.000 0.812 188 A CB 0.047 18.955 19.000 -0.153 0.000 1.056 188 A HN 0.442 nan 8.150 nan 0.000 0.489 189 P HA 0.144 nan 4.420 nan 0.000 0.271 189 P C -0.503 176.997 177.300 0.334 0.000 1.233 189 P CA -0.217 63.043 63.100 0.267 0.000 0.789 189 P CB 0.285 32.132 31.700 0.244 0.000 0.951 190 Q N 1.334 121.215 119.800 0.135 0.000 2.269 190 Q HA 0.041 4.373 4.340 -0.014 0.000 0.300 190 Q C -0.636 175.182 176.000 -0.304 0.000 1.070 190 Q CA 0.442 56.213 55.803 -0.052 0.000 0.957 190 Q CB -0.298 28.388 28.738 -0.086 0.000 1.131 190 Q HN 0.210 nan 8.270 nan 0.000 0.377 191 V N 8.339 127.829 119.914 -0.707 0.000 2.521 191 V HA 0.332 4.444 4.120 -0.014 0.000 0.286 191 V C -2.032 173.509 176.094 -0.921 0.000 1.034 191 V CA -1.606 59.858 62.300 -1.393 0.000 1.045 191 V CB 0.637 31.241 31.823 -2.031 0.000 0.974 191 V HN 0.934 nan 8.190 nan 0.000 0.480 192 P HA 0.213 nan 4.420 nan 0.000 0.274 192 P C 0.315 177.523 177.300 -0.152 0.000 1.246 192 P CA -0.356 62.538 63.100 -0.344 0.000 0.795 192 P CB 0.811 32.389 31.700 -0.204 0.000 1.006 193 R N 0.615 121.091 120.500 -0.040 0.000 2.070 193 R HA -0.062 4.270 4.340 -0.014 0.000 0.232 193 R C 0.394 176.787 176.300 0.155 0.000 1.138 193 R CA 1.453 57.592 56.100 0.065 0.000 0.936 193 R CB -0.386 29.933 30.300 0.031 0.000 0.839 193 R HN 0.488 nan 8.270 nan 0.000 0.429 194 D N -0.608 119.861 120.400 0.114 0.000 2.344 194 D HA -0.030 4.602 4.640 -0.014 0.000 0.244 194 D C -0.997 175.412 176.300 0.181 0.000 1.134 194 D CA -0.078 53.997 54.000 0.126 0.000 0.930 194 D CB 0.598 41.442 40.800 0.073 0.000 1.175 194 D HN 0.135 nan 8.370 nan 0.000 0.437 195 Y N 1.276 121.561 120.300 -0.025 0.000 2.359 195 Y HA 0.188 4.730 4.550 -0.014 0.000 0.334 195 Y C -0.437 175.435 175.900 -0.047 0.000 1.058 195 Y CA -0.060 57.917 58.100 -0.206 0.000 1.244 195 Y CB 0.663 38.917 38.460 -0.343 0.000 1.187 195 Y HN 0.084 nan 8.280 nan 0.000 0.510 196 D N 8.807 128.838 120.400 -0.615 0.000 2.620 196 D HA 0.286 4.917 4.640 -0.014 0.000 0.252 196 D C -2.143 173.836 176.300 -0.535 0.000 1.207 196 D CA -2.440 51.330 54.000 -0.383 0.000 0.884 196 D CB 2.203 42.980 40.800 -0.038 0.000 1.262 196 D HN 0.311 nan 8.370 nan 0.000 0.552 197 P HA -0.079 nan 4.420 nan 0.000 0.222 197 P C 1.043 178.344 177.300 0.002 0.000 1.147 197 P CA 0.597 63.578 63.100 -0.198 0.000 0.790 197 P CB 0.318 32.024 31.700 0.011 0.000 0.780 198 A N -0.556 122.275 122.820 0.017 0.000 1.930 198 A HA -0.212 4.100 4.320 -0.014 0.000 0.217 198 A C 2.328 179.971 177.584 0.098 0.000 1.175 198 A CA 1.258 53.330 52.037 0.059 0.000 0.627 198 A CB -1.859 17.171 19.000 0.051 0.000 0.815 198 A HN 0.152 nan 8.150 nan 0.000 0.443 199 Y N 1.205 121.535 120.300 0.051 0.000 2.128 199 Y HA -0.243 4.299 4.550 -0.014 0.000 0.284 199 Y C 2.697 178.708 175.900 0.184 0.000 1.154 199 Y CA 2.096 60.258 58.100 0.103 0.000 1.149 199 Y CB -0.286 38.226 38.460 0.086 0.000 0.976 199 Y HN 0.300 nan 8.280 nan 0.000 0.505 200 S N 0.146 116.004 115.700 0.263 0.000 2.383 200 S HA -0.145 4.317 4.470 -0.014 0.000 0.227 200 S C 2.213 176.893 174.600 0.132 0.000 1.026 200 S CA 0.875 59.216 58.200 0.235 0.000 0.981 200 S CB -0.674 62.725 63.200 0.333 0.000 0.818 200 S HN 0.645 nan 8.310 nan 0.000 0.472 201 A N 1.523 124.403 122.820 0.100 0.000 1.898 201 A HA 0.151 4.463 4.320 -0.014 0.000 0.216 201 A C 2.318 179.923 177.584 0.035 0.000 1.181 201 A CA 1.595 53.678 52.037 0.076 0.000 0.620 201 A CB -0.968 18.072 19.000 0.067 0.000 0.819 201 A HN 0.505 nan 8.150 nan 0.000 0.442 202 A N -1.625 121.187 122.820 -0.013 0.000 2.015 202 A HA 0.011 4.322 4.320 -0.014 0.000 0.219 202 A C 2.019 179.547 177.584 -0.094 0.000 1.163 202 A CA 1.321 53.319 52.037 -0.064 0.000 0.646 202 A CB -0.625 18.319 19.000 -0.093 0.000 0.806 202 A HN 0.624 nan 8.150 nan 0.000 0.448 203 F N 0.494 120.280 119.950 -0.274 0.000 2.163 203 F HA -0.106 4.413 4.527 -0.014 0.000 0.297 203 F C 2.269 177.971 175.800 -0.163 0.000 1.094 203 F CA 1.811 59.669 58.000 -0.237 0.000 1.290 203 F CB 0.004 38.860 39.000 -0.240 0.000 1.017 203 F HN 0.408 nan 8.300 nan 0.000 0.483 204 E N 0.336 120.642 120.200 0.176 0.000 2.110 204 E HA -0.225 4.117 4.350 -0.014 0.000 0.193 204 E C 2.126 178.637 176.600 -0.148 0.000 0.988 204 E CA 1.058 57.466 56.400 0.012 0.000 0.804 204 E CB -0.216 29.519 29.700 0.058 0.000 0.745 204 E HN 0.471 nan 8.360 nan 0.000 0.458 205 A N 0.776 123.548 122.820 -0.080 0.000 1.929 205 A HA -0.194 4.118 4.320 -0.014 0.000 0.216 205 A C 2.132 179.638 177.584 -0.130 0.000 1.176 205 A CA 1.427 53.412 52.037 -0.087 0.000 0.628 205 A CB -0.497 18.476 19.000 -0.044 0.000 0.816 205 A HN 0.399 nan 8.150 nan 0.000 0.444 206 Q N -0.861 118.846 119.800 -0.156 0.000 2.046 206 Q HA -0.156 4.175 4.340 -0.014 0.000 0.200 206 Q C 2.007 177.927 176.000 -0.135 0.000 0.975 206 Q CA 1.552 57.264 55.803 -0.152 0.000 0.836 206 Q CB -0.231 28.377 28.738 -0.216 0.000 0.896 206 Q HN 0.493 nan 8.270 nan 0.000 0.428 207 L N 0.967 122.046 121.223 -0.240 0.000 2.012 207 L HA -0.133 4.198 4.340 -0.014 0.000 0.210 207 L C 2.232 178.947 176.870 -0.259 0.000 1.073 207 L CA 2.430 57.132 54.840 -0.230 0.000 0.748 207 L CB -1.436 40.484 42.059 -0.231 0.000 0.891 207 L HN 0.277 nan 8.230 nan 0.000 0.431 208 A N -1.052 121.534 122.820 -0.391 0.000 1.948 208 A HA -0.298 4.013 4.320 -0.014 0.000 0.220 208 A C 2.183 179.707 177.584 -0.099 0.000 1.177 208 A CA 1.959 53.840 52.037 -0.261 0.000 0.636 208 A CB -0.647 18.292 19.000 -0.101 0.000 0.815 208 A HN 0.704 nan 8.150 nan 0.000 0.449 209 Q N -1.796 117.901 119.800 -0.173 0.000 2.234 209 Q HA -0.203 4.129 4.340 -0.014 0.000 0.206 209 Q C 1.032 176.828 176.000 -0.339 0.000 0.980 209 Q CA 1.724 57.361 55.803 -0.277 0.000 0.869 209 Q CB -0.126 28.342 28.738 -0.450 0.000 0.912 209 Q HN 0.954 nan 8.270 nan 0.000 0.436 210 H N -2.145 116.865 119.070 -0.099 0.000 2.893 210 H HA 0.303 4.851 4.556 -0.014 0.000 0.270 210 H C 1.514 176.779 175.328 -0.106 0.000 1.095 210 H CA 0.254 56.242 56.048 -0.101 0.000 1.186 210 H CB 0.596 30.284 29.762 -0.123 0.000 1.562 210 H HN 0.210 nan 8.280 nan 0.000 0.536 211 A N 0.770 123.595 122.820 0.008 0.000 1.927 211 A HA -0.224 4.087 4.320 -0.014 0.000 0.220 211 A C 2.547 180.080 177.584 -0.085 0.000 1.185 211 A CA 1.946 53.975 52.037 -0.013 0.000 0.639 211 A CB -1.228 17.838 19.000 0.110 0.000 0.820 211 A HN 0.521 nan 8.150 nan 0.000 0.451 212 G N -1.605 107.155 108.800 -0.067 0.000 2.559 212 G HA2 -0.070 3.882 3.960 -0.014 0.000 0.216 212 G HA3 -0.070 3.882 3.960 -0.014 0.000 0.216 212 G C 1.281 176.110 174.900 -0.118 0.000 1.126 212 G CA 0.861 45.898 45.100 -0.106 0.000 0.778 212 G HN 0.664 nan 8.290 nan 0.000 0.543 213 E N -1.007 119.144 120.200 -0.082 0.000 2.473 213 E HA 0.239 4.581 4.350 -0.014 0.000 0.204 213 E C 0.027 176.558 176.600 -0.115 0.000 0.994 213 E CA -0.268 56.091 56.400 -0.069 0.000 0.945 213 E CB 0.332 30.037 29.700 0.008 0.000 0.990 213 E HN 0.272 nan 8.360 nan 0.000 0.493 214 L N 0.322 121.451 121.223 -0.158 0.000 2.296 214 L HA 0.348 4.680 4.340 -0.014 0.000 0.286 214 L C 0.823 177.551 176.870 -0.237 0.000 1.023 214 L CA -0.394 54.348 54.840 -0.162 0.000 0.812 214 L CB 1.670 43.652 42.059 -0.129 0.000 1.223 214 L HN -0.027 nan 8.230 nan 0.000 0.421 215 A N 3.144 125.892 122.820 -0.120 0.000 1.935 215 A HA 0.618 4.929 4.320 -0.014 0.000 0.214 215 A C 0.809 178.516 177.584 0.205 0.000 1.178 215 A CA 1.067 53.133 52.037 0.049 0.000 0.640 215 A CB 0.109 19.238 19.000 0.213 0.000 0.825 215 A HN 0.751 nan 8.150 nan 0.000 0.447 216 A N -2.034 120.811 122.820 0.042 0.000 2.608 216 A HA 0.556 4.868 4.320 -0.014 0.000 0.292 216 A C -1.302 176.242 177.584 -0.066 0.000 1.066 216 A CA -0.359 51.684 52.037 0.010 0.000 0.676 216 A CB 0.568 19.560 19.000 -0.013 0.000 1.277 216 A HN 0.436 nan 8.150 nan 0.000 0.413 217 V N 0.786 120.657 119.914 -0.073 0.000 2.427 217 V HA 0.637 4.749 4.120 -0.014 0.000 0.286 217 V C -0.320 175.683 176.094 -0.151 0.000 1.034 217 V CA -0.438 61.802 62.300 -0.099 0.000 0.893 217 V CB 1.408 33.207 31.823 -0.041 0.000 0.982 217 V HN 1.141 nan 8.190 nan 0.000 0.452 218 V N 7.306 127.097 119.914 -0.205 0.000 2.531 218 V HA 0.855 4.967 4.120 -0.014 0.000 0.301 218 V C -0.709 175.246 176.094 -0.232 0.000 1.034 218 V CA -0.178 61.987 62.300 -0.224 0.000 0.865 218 V CB 1.886 33.511 31.823 -0.330 0.000 0.995 218 V HN 0.847 nan 8.190 nan 0.000 0.424 219 V N 2.789 122.661 119.914 -0.070 0.000 3.114 219 V HA 0.707 4.818 4.120 -0.014 0.000 0.308 219 V C -0.677 175.582 176.094 0.276 0.000 1.168 219 V CA -1.013 61.298 62.300 0.018 0.000 1.015 219 V CB 2.094 33.644 31.823 -0.456 0.000 1.050 219 V HN 0.853 nan 8.190 nan 0.000 0.433 220 E N 3.725 124.165 120.200 0.400 0.000 2.194 220 E HA 0.408 4.750 4.350 -0.014 0.000 0.284 220 E C -2.575 174.199 176.600 0.290 0.000 1.035 220 E CA -1.725 54.833 56.400 0.264 0.000 0.836 220 E CB 1.290 31.114 29.700 0.206 0.000 1.070 220 E HN 0.662 nan 8.360 nan 0.000 0.401 221 P HA 0.014 nan 4.420 nan 0.000 0.287 221 P C 0.544 177.813 177.300 -0.051 0.000 1.281 221 P CA -0.062 62.990 63.100 -0.080 0.000 0.781 221 P CB 1.492 32.815 31.700 -0.628 0.000 0.903 222 V N 1.401 121.198 119.914 -0.196 0.000 0.441 222 V HA -0.263 3.849 4.120 -0.014 0.000 0.092 222 V C 0.692 176.432 176.094 -0.590 0.000 2.557 222 V CA 2.106 64.060 62.300 -0.576 0.000 3.721 222 V CB -1.861 29.834 31.823 -0.213 0.000 0.992 222 V HN 0.474 nan 8.190 nan 0.000 1.042 223 V N 1.175 120.962 119.914 -0.211 0.000 2.483 223 V HA 0.467 4.578 4.120 -0.014 0.000 0.297 223 V C -0.210 175.939 176.094 0.092 0.000 1.027 223 V CA -0.373 61.934 62.300 0.011 0.000 0.855 223 V CB 1.673 33.527 31.823 0.051 0.000 0.995 223 V HN 0.502 nan 8.190 nan 0.000 0.424 224 Q N 2.693 122.589 119.800 0.161 0.000 2.360 224 Q HA 0.427 4.759 4.340 -0.014 0.000 0.254 224 Q C 0.990 177.066 176.000 0.127 0.000 0.975 224 Q CA 0.031 55.924 55.803 0.150 0.000 0.912 224 Q CB 2.021 30.857 28.738 0.163 0.000 1.212 224 Q HN 0.949 nan 8.270 nan 0.000 0.452 225 G N 1.687 110.533 108.800 0.077 0.000 2.670 225 G HA2 -0.111 3.841 3.960 -0.014 0.000 0.215 225 G HA3 -0.111 3.841 3.960 -0.014 0.000 0.215 225 G C 1.082 176.078 174.900 0.161 0.000 1.359 225 G CA 0.655 45.843 45.100 0.146 0.000 0.897 225 G HN 0.655 nan 8.290 nan 0.000 0.552 226 A N 0.283 123.187 122.820 0.140 0.000 2.125 226 A HA 0.216 4.528 4.320 -0.014 0.000 0.219 226 A C 2.369 179.977 177.584 0.041 0.000 1.156 226 A CA 1.820 53.863 52.037 0.010 0.000 0.671 226 A CB -0.648 18.187 19.000 -0.276 0.000 0.794 226 A HN 0.680 nan 8.150 nan 0.000 0.459 227 G N -1.918 106.970 108.800 0.147 0.000 2.920 227 G HA2 0.367 4.319 3.960 -0.014 0.000 0.208 227 G HA3 0.367 4.319 3.960 -0.014 0.000 0.208 227 G C 0.858 175.853 174.900 0.158 0.000 1.159 227 G CA 0.726 45.938 45.100 0.187 0.000 0.784 227 G HN 1.494 nan 8.290 nan 0.000 0.535 228 G N -0.743 108.131 108.800 0.124 0.000 2.834 228 G HA2 -0.082 3.869 3.960 -0.014 0.000 0.217 228 G HA3 -0.082 3.869 3.960 -0.014 0.000 0.217 228 G C 0.561 175.435 174.900 -0.043 0.000 0.974 228 G CA -0.091 45.045 45.100 0.060 0.000 0.826 228 G HN 0.320 nan 8.290 nan 0.000 0.584 229 M N -0.123 119.458 119.600 -0.032 0.000 2.249 229 M HA -0.142 4.330 4.480 -0.014 0.000 0.198 229 M C 0.391 176.582 176.300 -0.183 0.000 0.394 229 M CA 0.938 56.205 55.300 -0.055 0.000 0.427 229 M CB -1.982 30.494 32.600 -0.207 0.000 1.307 229 M HN 0.585 nan 8.290 nan 0.000 0.924 230 R N -0.377 120.069 120.500 -0.090 0.000 2.428 230 R HA 0.749 5.081 4.340 -0.014 0.000 0.294 230 R C -0.070 176.263 176.300 0.055 0.000 1.000 230 R CA -0.368 55.630 56.100 -0.170 0.000 0.960 230 R CB 1.058 31.302 30.300 -0.093 0.000 1.076 230 R HN 0.192 nan 8.270 nan 0.000 0.475 231 F N 1.559 121.472 119.950 -0.063 0.000 2.432 231 F HA 0.363 4.881 4.527 -0.014 0.000 0.329 231 F C 0.585 176.328 175.800 -0.096 0.000 1.076 231 F CA -1.067 56.858 58.000 -0.125 0.000 1.018 231 F CB 1.475 40.417 39.000 -0.095 0.000 1.201 231 F HN 0.625 nan 8.300 nan 0.000 0.489 232 H N -2.101 117.044 119.070 0.124 0.000 2.980 232 H HA 0.272 4.820 4.556 -0.013 0.000 0.367 232 H C -1.390 174.028 175.328 0.150 0.000 1.206 232 H CA -1.302 54.794 56.048 0.081 0.000 1.126 232 H CB 0.961 30.657 29.762 -0.110 0.000 1.838 232 H HN 0.438 nan 8.280 nan 0.000 0.552 233 D N 1.577 122.208 120.400 0.385 0.000 2.458 233 D HA 0.006 4.637 4.640 -0.014 0.000 0.243 233 D C -1.413 175.043 176.300 0.259 0.000 1.146 233 D CA -1.281 52.839 54.000 0.200 0.000 0.877 233 D CB 1.119 41.974 40.800 0.091 0.000 1.176 233 D HN 0.413 nan 8.370 nan 0.000 0.461 234 P HA -0.109 nan 4.420 nan 0.000 0.221 234 P C 1.248 178.633 177.300 0.142 0.000 1.145 234 P CA 0.801 63.984 63.100 0.139 0.000 0.795 234 P CB 0.146 31.886 31.700 0.066 0.000 0.775 235 R N -1.382 119.098 120.500 -0.033 0.000 2.152 235 R HA -0.173 4.159 4.340 -0.014 0.000 0.232 235 R C 1.772 178.117 176.300 0.074 0.000 1.117 235 R CA 1.163 57.156 56.100 -0.178 0.000 0.981 235 R CB -0.611 29.241 30.300 -0.747 0.000 0.870 235 R HN 0.151 nan 8.270 nan 0.000 0.451 236 Y N 0.448 120.941 120.300 0.321 0.000 2.256 236 Y HA -0.208 4.333 4.550 -0.014 0.000 0.288 236 Y C 1.930 178.026 175.900 0.328 0.000 1.155 236 Y CA 1.242 59.577 58.100 0.392 0.000 1.203 236 Y CB -0.205 38.453 38.460 0.329 0.000 0.980 236 Y HN 0.064 nan 8.280 nan 0.000 0.530 237 L N -1.512 119.988 121.223 0.462 0.000 2.109 237 L HA -0.202 4.130 4.340 -0.014 0.000 0.207 237 L C 2.560 179.624 176.870 0.324 0.000 1.086 237 L CA 1.267 56.340 54.840 0.389 0.000 0.760 237 L CB -0.715 41.544 42.059 0.334 0.000 0.910 237 L HN 0.328 nan 8.230 nan 0.000 0.437 238 H N 0.962 120.144 119.070 0.187 0.000 2.319 238 H HA -0.189 4.358 4.556 -0.014 0.000 0.299 238 H C 1.565 176.963 175.328 0.118 0.000 1.092 238 H CA 2.111 58.231 56.048 0.121 0.000 1.302 238 H CB 0.172 29.967 29.762 0.055 0.000 1.373 238 H HN 0.325 nan 8.280 nan 0.000 0.497 239 D N 0.584 121.177 120.400 0.321 0.000 2.117 239 D HA -0.130 4.502 4.640 -0.014 0.000 0.197 239 D C 2.529 178.891 176.300 0.103 0.000 0.987 239 D CA 0.402 54.549 54.000 0.246 0.000 0.829 239 D CB -0.332 40.663 40.800 0.325 0.000 0.961 239 D HN 0.244 nan 8.370 nan 0.000 0.460 240 L N 0.779 122.037 121.223 0.059 0.000 2.012 240 L HA -0.160 4.172 4.340 -0.014 0.000 0.210 240 L C 2.405 179.252 176.870 -0.038 0.000 1.073 240 L CA 1.348 56.139 54.840 -0.081 0.000 0.748 240 L CB -0.787 41.203 42.059 -0.114 0.000 0.891 240 L HN -0.066 nan 8.230 nan 0.000 0.431 241 R N 0.002 120.493 120.500 -0.016 0.000 2.091 241 R HA -0.202 4.130 4.340 -0.014 0.000 0.238 241 R C 2.043 178.303 176.300 -0.066 0.000 1.136 241 R CA 2.002 58.056 56.100 -0.076 0.000 0.959 241 R CB -0.758 29.481 30.300 -0.101 0.000 0.856 241 R HN 0.464 nan 8.270 nan 0.000 0.437 242 D N -0.585 119.778 120.400 -0.062 0.000 2.084 242 D HA -0.112 4.520 4.640 -0.014 0.000 0.194 242 D C 1.866 178.206 176.300 0.067 0.000 0.990 242 D CA 1.843 55.834 54.000 -0.016 0.000 0.826 242 D CB -0.037 40.771 40.800 0.012 0.000 0.971 242 D HN 0.356 nan 8.370 nan 0.000 0.453 243 I N -0.022 120.606 120.570 0.096 0.000 2.208 243 I HA -0.320 3.842 4.170 -0.014 0.000 0.245 243 I C 2.430 178.670 176.117 0.205 0.000 1.097 243 I CA 0.647 62.054 61.300 0.178 0.000 1.363 243 I CB -0.246 37.821 38.000 0.113 0.000 1.051 243 I HN 0.279 nan 8.210 nan 0.000 0.413 244 C N 0.160 119.518 119.300 0.097 0.000 2.429 244 C HA -0.152 4.299 4.460 -0.014 0.000 0.277 244 C C 2.977 178.035 174.990 0.113 0.000 1.262 244 C CA 0.915 59.987 59.018 0.091 0.000 1.733 244 C CB -1.130 26.614 27.740 0.008 0.000 2.010 244 C HN 0.467 nan 8.230 nan 0.000 0.483 245 R N 0.766 121.305 120.500 0.065 0.000 2.091 245 R HA -0.126 4.205 4.340 -0.014 0.000 0.238 245 R C 2.370 178.710 176.300 0.067 0.000 1.136 245 R CA 1.578 57.709 56.100 0.051 0.000 0.959 245 R CB -0.250 30.054 30.300 0.007 0.000 0.856 245 R HN 0.490 nan 8.270 nan 0.000 0.437 246 R N -1.368 119.182 120.500 0.083 0.000 2.115 246 R HA -0.091 4.241 4.340 -0.014 0.000 0.226 246 R C 1.151 177.375 176.300 -0.126 0.000 1.100 246 R CA 1.204 57.296 56.100 -0.013 0.000 0.980 246 R CB 0.063 30.353 30.300 -0.016 0.000 0.875 246 R HN 0.332 nan 8.270 nan 0.000 0.445 247 Y N 0.530 120.846 120.300 0.026 0.000 2.458 247 Y HA 0.141 4.683 4.550 -0.014 0.000 0.256 247 Y C -0.192 175.708 175.900 -0.000 0.000 1.159 247 Y CA -0.207 57.899 58.100 0.009 0.000 1.261 247 Y CB 0.274 38.738 38.460 0.007 0.000 1.119 247 Y HN -0.000 nan 8.280 nan 0.000 0.524 248 E N 0.167 120.461 120.200 0.155 0.000 2.246 248 E HA -0.159 4.182 4.350 -0.014 0.000 0.211 248 E C -1.199 175.496 176.600 0.157 0.000 1.278 248 E CA 0.133 56.657 56.400 0.207 0.000 0.694 248 E CB -1.481 28.326 29.700 0.177 0.000 1.166 248 E HN 0.036 nan 8.360 nan 0.000 0.370 249 V N 1.628 121.662 119.914 0.200 0.000 2.656 249 V HA 0.385 4.497 4.120 -0.014 0.000 0.307 249 V C 0.610 176.836 176.094 0.220 0.000 1.051 249 V CA -0.792 61.610 62.300 0.169 0.000 0.893 249 V CB 1.899 33.756 31.823 0.057 0.000 0.999 249 V HN 0.227 nan 8.190 nan 0.000 0.426 250 L N 3.926 125.311 121.223 0.270 0.000 2.452 250 L HA 0.328 4.660 4.340 -0.014 0.000 0.267 250 L C -0.376 176.451 176.870 -0.072 0.000 1.188 250 L CA -0.225 54.629 54.840 0.023 0.000 0.821 250 L CB 0.620 42.626 42.059 -0.087 0.000 1.102 250 L HN 0.432 nan 8.230 nan 0.000 0.470 251 L N 3.601 124.714 121.223 -0.183 0.000 2.305 251 L HA 0.523 4.855 4.340 -0.014 0.000 0.284 251 L C -0.577 176.085 176.870 -0.346 0.000 1.013 251 L CA 0.114 54.794 54.840 -0.266 0.000 0.819 251 L CB 1.080 42.926 42.059 -0.354 0.000 1.227 251 L HN 0.303 nan 8.230 nan 0.000 0.417 252 I N 5.414 125.826 120.570 -0.263 0.000 2.378 252 I HA 0.331 4.493 4.170 -0.014 0.000 0.291 252 I C -0.948 175.139 176.117 -0.050 0.000 0.992 252 I CA -0.450 60.725 61.300 -0.208 0.000 1.154 252 I CB 1.167 39.075 38.000 -0.154 0.000 1.315 252 I HN 0.365 nan 8.210 nan 0.000 0.448 253 F N 3.895 123.784 119.950 -0.101 0.000 2.404 253 F HA 0.241 4.759 4.527 -0.014 0.000 0.354 253 F C 0.520 176.296 175.800 -0.040 0.000 1.122 253 F CA -1.346 56.620 58.000 -0.055 0.000 1.080 253 F CB 0.844 39.819 39.000 -0.041 0.000 1.131 253 F HN 0.372 nan 8.300 nan 0.000 0.471 254 D N 3.660 124.188 120.400 0.213 0.000 2.441 254 D HA 0.081 4.712 4.640 -0.014 0.000 0.221 254 D C 0.226 176.575 176.300 0.083 0.000 1.156 254 D CA 0.140 54.225 54.000 0.141 0.000 0.896 254 D CB 0.392 41.344 40.800 0.253 0.000 1.028 254 D HN 0.555 nan 8.370 nan 0.000 0.509 255 E N 3.525 123.759 120.200 0.057 0.000 2.423 255 E HA 0.096 4.437 4.350 -0.014 0.000 0.198 255 E C 1.557 178.161 176.600 0.006 0.000 1.038 255 E CA -0.214 56.205 56.400 0.031 0.000 1.011 255 E CB 0.588 30.344 29.700 0.093 0.000 1.118 255 E HN 0.624 nan 8.360 nan 0.000 0.451 256 I N 0.810 121.359 120.570 -0.035 0.000 2.361 256 I HA -0.250 3.912 4.170 -0.014 0.000 0.251 256 I C 2.249 178.241 176.117 -0.208 0.000 1.133 256 I CA 1.234 62.497 61.300 -0.062 0.000 1.413 256 I CB 0.042 38.003 38.000 -0.066 0.000 1.073 256 I HN 0.113 nan 8.210 nan 0.000 0.424 257 A N -0.048 122.528 122.820 -0.407 0.000 1.993 257 A HA -0.044 4.267 4.320 -0.014 0.000 0.207 257 A C 2.260 179.508 177.584 -0.560 0.000 1.224 257 A CA 1.023 52.555 52.037 -0.841 0.000 0.749 257 A CB -0.637 17.469 19.000 -1.491 0.000 0.884 257 A HN 0.405 nan 8.150 nan 0.000 0.467 258 T N -2.264 112.100 114.554 -0.316 0.000 3.088 258 T HA 0.293 4.635 4.350 -0.014 0.000 0.259 258 T C 1.127 175.785 174.700 -0.070 0.000 1.122 258 T CA 0.565 62.574 62.100 -0.151 0.000 1.095 258 T CB -0.431 68.375 68.868 -0.104 0.000 0.930 258 T HN 0.400 nan 8.240 nan 0.000 0.508 259 G N 0.267 109.049 108.800 -0.029 0.000 2.634 259 G HA2 0.410 4.362 3.960 -0.014 0.000 0.255 259 G HA3 0.410 4.362 3.960 -0.014 0.000 0.255 259 G C -0.304 174.455 174.900 -0.235 0.000 1.205 259 G CA -0.883 44.124 45.100 -0.155 0.000 0.884 259 G HN 0.392 nan 8.290 nan 0.000 0.549 260 F N -0.987 118.543 119.950 -0.701 0.000 3.074 260 F HA -0.208 4.312 4.527 -0.013 0.000 0.287 260 F C 1.766 177.335 175.800 -0.385 0.000 0.932 260 F CA 1.376 59.036 58.000 -0.567 0.000 0.995 260 F CB -1.453 37.389 39.000 -0.264 0.000 0.966 260 F HN 1.584 nan 8.300 nan 0.000 0.721 261 G N -0.883 107.632 108.800 -0.475 0.000 2.175 261 G HA2 -0.413 3.539 3.960 -0.014 0.000 0.244 261 G HA3 -0.413 3.539 3.960 -0.014 0.000 0.244 261 G C 0.883 175.715 174.900 -0.113 0.000 0.982 261 G CA 0.519 45.384 45.100 -0.392 0.000 0.641 261 G HN 0.621 nan 8.290 nan 0.000 0.527 262 R N 1.394 121.923 120.500 0.049 0.000 2.120 262 R HA 0.004 4.336 4.340 -0.014 0.000 0.234 262 R C 2.554 178.919 176.300 0.108 0.000 1.123 262 R CA 2.735 58.952 56.100 0.195 0.000 0.975 262 R CB -0.671 29.814 30.300 0.309 0.000 0.866 262 R HN 0.712 nan 8.270 nan 0.000 0.446 263 T N -4.384 110.207 114.554 0.061 0.000 3.105 263 T HA 0.348 4.690 4.350 -0.014 0.000 0.253 263 T C 1.186 175.991 174.700 0.174 0.000 1.047 263 T CA 0.246 62.391 62.100 0.076 0.000 0.944 263 T CB 0.621 69.544 68.868 0.091 0.000 1.016 263 T HN 0.361 nan 8.240 nan 0.000 0.544 264 G N 0.661 109.537 108.800 0.126 0.000 2.238 264 G HA2 0.083 4.034 3.960 -0.014 0.000 0.217 264 G HA3 0.083 4.034 3.960 -0.014 0.000 0.217 264 G C 0.215 175.214 174.900 0.165 0.000 0.996 264 G CA -0.296 44.902 45.100 0.163 0.000 0.632 264 G HN 1.178 nan 8.290 nan 0.000 0.503 265 A N -0.449 122.350 122.820 -0.035 0.000 2.354 265 A HA 0.846 5.158 4.320 -0.014 0.000 0.321 265 A C 1.156 178.619 177.584 -0.201 0.000 1.125 265 A CA 0.193 52.156 52.037 -0.124 0.000 0.799 265 A CB 1.198 19.823 19.000 -0.625 0.000 1.293 265 A HN 1.009 nan 8.150 nan 0.000 0.452 266 L N 0.231 121.286 121.223 -0.280 0.000 2.042 266 L HA 0.076 4.408 4.340 -0.014 0.000 0.210 266 L C -0.180 176.030 176.870 -1.101 0.000 1.076 266 L CA 2.064 56.387 54.840 -0.861 0.000 0.749 266 L CB -0.655 41.033 42.059 -0.617 0.000 0.893 266 L HN 0.593 nan 8.230 nan 0.000 0.432 267 F N -2.883 116.904 119.950 -0.272 0.000 2.565 267 F HA 0.497 5.016 4.527 -0.013 0.000 0.313 267 F C 1.026 176.719 175.800 -0.178 0.000 1.091 267 F CA -0.350 57.510 58.000 -0.233 0.000 0.915 267 F CB 1.199 40.068 39.000 -0.217 0.000 1.208 267 F HN -0.202 nan 8.300 nan 0.000 0.453 268 A N 1.826 124.669 122.820 0.037 0.000 2.024 268 A HA -0.034 4.278 4.320 -0.014 0.000 0.220 268 A C 2.172 179.787 177.584 0.051 0.000 1.164 268 A CA 1.927 53.993 52.037 0.049 0.000 0.643 268 A CB -0.959 18.056 19.000 0.026 0.000 0.806 268 A HN 0.893 nan 8.150 nan 0.000 0.451 269 A N 0.190 123.040 122.820 0.050 0.000 1.972 269 A HA -0.187 4.125 4.320 -0.014 0.000 0.219 269 A C 1.646 179.304 177.584 0.123 0.000 1.169 269 A CA 1.806 53.907 52.037 0.106 0.000 0.635 269 A CB -0.526 18.642 19.000 0.280 0.000 0.810 269 A HN 0.457 nan 8.150 nan 0.000 0.446 270 D N -0.738 119.700 120.400 0.063 0.000 2.221 270 D HA -0.135 4.497 4.640 -0.014 0.000 0.204 270 D C 1.552 177.855 176.300 0.005 0.000 0.982 270 D CA 0.989 55.002 54.000 0.021 0.000 0.857 270 D CB -0.473 40.315 40.800 -0.020 0.000 0.934 270 D HN 0.556 nan 8.370 nan 0.000 0.475 271 H N -0.086 119.015 119.070 0.052 0.000 2.456 271 H HA 0.052 4.600 4.556 -0.014 0.000 0.296 271 H C 1.758 177.109 175.328 0.039 0.000 1.079 271 H CA 1.305 57.370 56.048 0.027 0.000 1.322 271 H CB 0.162 29.921 29.762 -0.005 0.000 1.388 271 H HN 0.150 nan 8.280 nan 0.000 0.538 272 A N -0.612 122.320 122.820 0.187 0.000 2.197 272 A HA 0.352 4.664 4.320 -0.014 0.000 0.210 272 A C 1.850 179.532 177.584 0.165 0.000 1.180 272 A CA 0.797 52.936 52.037 0.170 0.000 0.846 272 A CB 0.087 19.214 19.000 0.211 0.000 0.884 272 A HN 0.400 nan 8.150 nan 0.000 0.487 273 G N -0.259 108.622 108.800 0.136 0.000 2.221 273 G HA2 -0.078 3.874 3.960 -0.014 0.000 0.265 273 G HA3 -0.078 3.874 3.960 -0.014 0.000 0.265 273 G C 0.255 175.222 174.900 0.111 0.000 1.041 273 G CA 0.696 45.862 45.100 0.110 0.000 0.807 273 G HN 1.771 nan 8.290 nan 0.000 0.502 274 V N -3.343 116.655 119.914 0.139 0.000 2.815 274 V HA 0.949 5.061 4.120 -0.014 0.000 0.314 274 V C 0.204 176.351 176.094 0.088 0.000 1.064 274 V CA -0.570 61.790 62.300 0.100 0.000 0.952 274 V CB 2.195 34.084 31.823 0.109 0.000 1.020 274 V HN 0.539 nan 8.190 nan 0.000 0.439 275 S N 4.439 120.125 115.700 -0.023 0.000 2.451 275 S HA 0.678 5.139 4.470 -0.014 0.000 0.301 275 S C -2.483 171.960 174.600 -0.262 0.000 1.116 275 S CA -0.901 57.240 58.200 -0.098 0.000 1.093 275 S CB 1.562 64.700 63.200 -0.103 0.000 1.017 275 S HN 0.928 nan 8.310 nan 0.000 0.482 276 P HA 0.327 nan 4.420 nan 0.000 0.276 276 P C -0.254 176.814 177.300 -0.386 0.000 1.261 276 P CA -0.433 62.277 63.100 -0.649 0.000 0.800 276 P CB 0.852 32.004 31.700 -0.913 0.000 1.066 277 D N -0.364 119.817 120.400 -0.365 0.000 2.249 277 D HA 0.126 4.758 4.640 -0.014 0.000 0.205 277 D C 0.656 176.782 176.300 -0.290 0.000 0.962 277 D CA 1.201 55.015 54.000 -0.310 0.000 0.860 277 D CB 0.434 41.032 40.800 -0.338 0.000 0.955 277 D HN 0.333 nan 8.370 nan 0.000 0.505 278 I N 0.470 120.871 120.570 -0.283 0.000 2.686 278 I HA 0.317 4.479 4.170 -0.014 0.000 0.295 278 I C -0.741 175.258 176.117 -0.197 0.000 1.114 278 I CA -0.632 60.531 61.300 -0.228 0.000 1.038 278 I CB 2.965 40.837 38.000 -0.212 0.000 1.238 278 I HN -0.244 nan 8.210 nan 0.000 0.420 279 M N 5.341 124.845 119.600 -0.159 0.000 2.386 279 M HA 0.597 5.069 4.480 -0.014 0.000 0.293 279 M C -1.895 174.353 176.300 -0.087 0.000 1.120 279 M CA -0.208 55.025 55.300 -0.112 0.000 0.909 279 M CB 1.860 34.365 32.600 -0.158 0.000 1.661 279 M HN 0.698 nan 8.290 nan 0.000 0.452 280 C N 4.084 123.363 119.300 -0.036 0.000 2.382 280 C HA 0.898 5.350 4.460 -0.014 0.000 0.327 280 C C -0.185 174.817 174.990 0.020 0.000 1.250 280 C CA -0.687 58.325 59.018 -0.010 0.000 1.707 280 C CB 0.982 28.725 27.740 0.005 0.000 2.272 280 C HN 0.711 nan 8.230 nan 0.000 0.506 281 V N 0.908 120.859 119.914 0.061 0.000 3.130 281 V HA 1.122 5.234 4.120 -0.014 0.000 0.310 281 V C -0.081 176.118 176.094 0.174 0.000 1.158 281 V CA 0.259 62.653 62.300 0.156 0.000 1.029 281 V CB 1.400 33.379 31.823 0.260 0.000 1.057 281 V HN 1.260 nan 8.190 nan 0.000 0.436 282 G N -0.033 108.889 108.800 0.204 0.000 2.512 282 G HA2 0.393 4.345 3.960 -0.014 0.000 0.186 282 G HA3 0.393 4.345 3.960 -0.014 0.000 0.186 282 G C -0.148 174.805 174.900 0.088 0.000 1.189 282 G CA 0.147 45.324 45.100 0.128 0.000 0.994 282 G HN 0.961 nan 8.290 nan 0.000 0.506 283 K N -0.908 119.514 120.400 0.036 0.000 6.280 283 K HA -0.397 3.915 4.320 -0.014 0.000 0.381 283 K C 2.220 178.813 176.600 -0.011 0.000 0.627 283 K CA 2.792 59.087 56.287 0.014 0.000 1.297 283 K CB -1.377 31.095 32.500 -0.047 0.000 0.809 283 K HN 1.102 nan 8.250 nan 0.000 0.885 284 A N 0.799 123.603 122.820 -0.028 0.000 2.239 284 A HA -0.004 4.308 4.320 -0.014 0.000 0.209 284 A C 1.781 179.122 177.584 -0.404 0.000 1.171 284 A CA 1.131 53.076 52.037 -0.154 0.000 0.768 284 A CB -0.265 18.671 19.000 -0.106 0.000 0.790 284 A HN 0.390 nan 8.150 nan 0.000 0.478 285 L N 0.699 121.688 121.223 -0.390 0.000 2.013 285 L HA -0.170 4.162 4.340 -0.014 0.000 0.212 285 L C 2.354 179.009 176.870 -0.358 0.000 1.073 285 L CA 2.903 57.408 54.840 -0.558 0.000 0.753 285 L CB -0.767 41.223 42.059 -0.115 0.000 0.890 285 L HN 0.508 nan 8.230 nan 0.000 0.432 286 T N -3.832 110.620 114.554 -0.169 0.000 3.105 286 T HA 0.391 4.733 4.350 -0.014 0.000 0.253 286 T C 1.242 175.936 174.700 -0.010 0.000 1.047 286 T CA 0.166 62.216 62.100 -0.083 0.000 0.944 286 T CB -0.382 68.483 68.868 -0.005 0.000 1.016 286 T HN 0.695 nan 8.240 nan 0.000 0.544 287 G N 0.999 109.760 108.800 -0.065 0.000 2.221 287 G HA2 0.093 4.045 3.960 -0.014 0.000 0.265 287 G HA3 0.093 4.045 3.960 -0.014 0.000 0.265 287 G C 1.050 176.010 174.900 0.101 0.000 1.041 287 G CA 0.237 45.349 45.100 0.020 0.000 0.807 287 G HN 1.798 nan 8.290 nan 0.000 0.502 288 G N -2.432 106.395 108.800 0.045 0.000 2.143 288 G HA2 -0.323 3.629 3.960 -0.014 0.000 0.248 288 G HA3 -0.323 3.629 3.960 -0.014 0.000 0.248 288 G C 0.822 175.736 174.900 0.023 0.000 0.991 288 G CA 1.173 46.282 45.100 0.014 0.000 0.689 288 G HN 0.926 nan 8.290 nan 0.000 0.522 289 Y N -0.602 119.685 120.300 -0.022 0.000 2.231 289 Y HA 0.530 5.069 4.550 -0.018 0.000 0.294 289 Y C 1.754 177.649 175.900 -0.008 0.000 1.120 289 Y CA 1.285 59.382 58.100 -0.005 0.000 1.141 289 Y CB 0.271 38.724 38.460 -0.012 0.000 1.022 289 Y HN 0.305 nan 8.280 nan 0.000 0.523 290 L N -1.229 120.078 121.223 0.140 0.000 2.469 290 L HA 0.344 4.676 4.340 -0.014 0.000 0.256 290 L C -0.464 176.427 176.870 0.036 0.000 1.006 290 L CA -1.257 53.619 54.840 0.060 0.000 0.832 290 L CB 2.073 44.154 42.059 0.037 0.000 1.421 290 L HN -0.191 nan 8.230 nan 0.000 0.410 291 S N 1.794 117.503 115.700 0.015 0.000 2.528 291 S HA 0.691 5.152 4.470 -0.014 0.000 0.277 291 S C -0.737 173.876 174.600 0.021 0.000 1.297 291 S CA -0.412 57.805 58.200 0.028 0.000 1.052 291 S CB 1.167 64.384 63.200 0.028 0.000 0.917 291 S HN 0.481 nan 8.310 nan 0.000 0.492 292 L N 1.946 123.197 121.223 0.046 0.000 2.556 292 L HA 0.839 5.170 4.340 -0.014 0.000 0.257 292 L C -0.840 176.098 176.870 0.113 0.000 0.955 292 L CA -0.109 54.770 54.840 0.065 0.000 0.850 292 L CB 1.545 43.620 42.059 0.025 0.000 1.398 292 L HN 1.128 nan 8.230 nan 0.000 0.412 293 A N 2.554 125.477 122.820 0.171 0.000 2.569 293 A HA 1.078 5.389 4.320 -0.014 0.000 0.290 293 A C -1.604 176.135 177.584 0.257 0.000 1.136 293 A CA -0.100 52.049 52.037 0.185 0.000 0.710 293 A CB 1.769 20.850 19.000 0.135 0.000 1.303 293 A HN 1.687 nan 8.150 nan 0.000 0.413 294 A N -0.150 122.776 122.820 0.176 0.000 2.520 294 A HA 0.795 5.107 4.320 -0.014 0.000 0.298 294 A C -0.636 176.958 177.584 0.017 0.000 1.051 294 A CA -0.356 51.722 52.037 0.068 0.000 0.690 294 A CB 1.353 20.327 19.000 -0.044 0.000 1.281 294 A HN 1.010 nan 8.150 nan 0.000 0.402 295 T N 2.212 116.763 114.554 -0.005 0.000 2.779 295 T HA 0.605 4.946 4.350 -0.014 0.000 0.280 295 T C -0.669 173.980 174.700 -0.086 0.000 0.987 295 T CA -0.159 61.915 62.100 -0.044 0.000 0.966 295 T CB 0.623 69.455 68.868 -0.060 0.000 0.933 295 T HN 0.400 nan 8.240 nan 0.000 0.442 296 L N 3.140 124.290 121.223 -0.122 0.000 2.334 296 L HA 0.830 5.162 4.340 -0.014 0.000 0.273 296 L C 0.261 177.038 176.870 -0.154 0.000 1.013 296 L CA -0.540 54.213 54.840 -0.145 0.000 0.816 296 L CB 1.612 43.568 42.059 -0.173 0.000 1.278 296 L HN 0.968 nan 8.230 nan 0.000 0.431 297 C N -1.812 117.395 119.300 -0.155 0.000 3.285 297 C HA 0.917 5.369 4.460 -0.014 0.000 0.320 297 C C 0.512 175.393 174.990 -0.183 0.000 1.411 297 C CA -0.495 58.415 59.018 -0.181 0.000 1.429 297 C CB 1.253 28.886 27.740 -0.178 0.000 1.812 297 C HN 0.958 nan 8.230 nan 0.000 0.454 298 T N -0.771 113.659 114.554 -0.206 0.000 2.754 298 T HA 0.529 4.870 4.350 -0.014 0.000 0.286 298 T C 1.285 175.853 174.700 -0.220 0.000 0.997 298 T CA 0.267 62.250 62.100 -0.195 0.000 0.982 298 T CB 0.711 69.463 68.868 -0.194 0.000 1.027 298 T HN 1.774 nan 8.240 nan 0.000 0.529 299 A N 0.266 122.945 122.820 -0.235 0.000 1.902 299 A HA -0.069 4.243 4.320 -0.014 0.000 0.217 299 A C 2.044 179.384 177.584 -0.407 0.000 1.181 299 A CA 2.023 53.819 52.037 -0.402 0.000 0.623 299 A CB -1.313 17.514 19.000 -0.288 0.000 0.818 299 A HN 1.003 nan 8.150 nan 0.000 0.443 300 D N -0.274 120.019 120.400 -0.179 0.000 2.104 300 D HA -0.137 4.495 4.640 -0.014 0.000 0.194 300 D C 1.843 178.146 176.300 0.007 0.000 0.994 300 D CA 1.763 55.735 54.000 -0.047 0.000 0.830 300 D CB -0.226 40.562 40.800 -0.020 0.000 0.959 300 D HN 0.148 nan 8.370 nan 0.000 0.452 301 V N 0.889 120.749 119.914 -0.090 0.000 2.261 301 V HA -0.233 3.879 4.120 -0.014 0.000 0.246 301 V C 2.652 178.741 176.094 -0.008 0.000 1.047 301 V CA 1.971 64.238 62.300 -0.054 0.000 1.015 301 V CB -1.121 30.537 31.823 -0.275 0.000 0.642 301 V HN 0.359 nan 8.190 nan 0.000 0.446 302 A N -0.724 122.026 122.820 -0.117 0.000 1.883 302 A HA -0.287 4.024 4.320 -0.014 0.000 0.217 302 A C 2.007 179.591 177.584 -0.001 0.000 1.186 302 A CA 2.316 54.297 52.037 -0.094 0.000 0.624 302 A CB -0.980 17.918 19.000 -0.169 0.000 0.822 302 A HN 0.753 nan 8.150 nan 0.000 0.444 303 H N -1.375 117.689 119.070 -0.010 0.000 2.389 303 H HA -0.068 4.480 4.556 -0.014 0.000 0.299 303 H C 2.234 177.539 175.328 -0.038 0.000 1.081 303 H CA 1.295 57.330 56.048 -0.022 0.000 1.345 303 H CB -0.031 29.717 29.762 -0.024 0.000 1.393 303 H HN 0.456 nan 8.280 nan 0.000 0.520 304 T N 0.548 115.145 114.554 0.072 0.000 2.867 304 T HA -0.071 4.271 4.350 -0.014 0.000 0.268 304 T C 2.056 176.707 174.700 -0.082 0.000 1.057 304 T CA 0.856 62.915 62.100 -0.067 0.000 1.136 304 T CB -0.040 68.690 68.868 -0.229 0.000 0.874 304 T HN 0.253 nan 8.240 nan 0.000 0.466 305 I N 1.465 122.026 120.570 -0.015 0.000 2.277 305 I HA -0.120 4.042 4.170 -0.014 0.000 0.243 305 I C 2.703 178.818 176.117 -0.004 0.000 1.094 305 I CA 1.206 62.497 61.300 -0.015 0.000 1.393 305 I CB -0.240 37.764 38.000 0.006 0.000 1.078 305 I HN 0.286 nan 8.210 nan 0.000 0.417 306 S N 0.926 116.640 115.700 0.022 0.000 2.461 306 S HA 0.155 4.617 4.470 -0.014 0.000 0.228 306 S C 1.178 175.783 174.600 0.009 0.000 1.005 306 S CA 0.154 58.370 58.200 0.027 0.000 0.942 306 S CB -0.362 62.870 63.200 0.054 0.000 0.776 306 S HN 0.271 nan 8.310 nan 0.000 0.514 317 P HA 0.299 nan 4.420 nan 0.000 0.272 317 P C 1.159 178.547 177.300 0.147 0.000 1.223 317 P CA -0.212 62.993 63.100 0.175 0.000 0.784 317 P CB 0.875 32.692 31.700 0.196 0.000 0.923 318 T N 0.800 115.427 114.554 0.122 0.000 2.653 318 T HA -0.165 4.177 4.350 -0.014 0.000 0.268 318 T C 0.927 175.589 174.700 -0.063 0.000 1.035 318 T CA 1.654 63.763 62.100 0.016 0.000 1.154 318 T CB -0.599 68.256 68.868 -0.022 0.000 0.862 318 T HN 0.383 nan 8.240 nan 0.000 0.441 319 F N 0.735 120.710 119.950 0.042 0.000 2.660 319 F HA 0.425 4.944 4.527 -0.013 0.000 0.297 319 F C 0.764 176.617 175.800 0.089 0.000 1.132 319 F CA -0.662 57.328 58.000 -0.017 0.000 1.372 319 F CB -0.658 38.225 39.000 -0.194 0.000 1.003 319 F HN 0.108 nan 8.300 nan 0.000 0.524 320 M N 1.279 121.000 119.600 0.200 0.000 2.286 320 M HA 0.133 4.604 4.480 -0.014 0.000 0.365 320 M C 1.083 177.304 176.300 -0.131 0.000 1.443 320 M CA 0.751 56.087 55.300 0.061 0.000 0.951 320 M CB 0.221 32.854 32.600 0.055 0.000 1.961 320 M HN 0.393 nan 8.290 nan 0.000 0.468 321 A N 3.438 126.078 122.820 -0.300 0.000 2.822 321 A HA -0.266 4.046 4.320 -0.014 0.000 0.287 321 A C 0.173 177.622 177.584 -0.224 0.000 1.479 321 A CA 1.049 52.713 52.037 -0.621 0.000 0.779 321 A CB -2.670 15.477 19.000 -1.422 0.000 1.022 321 A HN 1.061 nan 8.150 nan 0.000 0.532 322 N N 0.087 118.777 118.700 -0.016 0.000 2.236 322 N HA 0.161 4.893 4.740 -0.014 0.000 0.274 322 N C -0.842 174.654 175.510 -0.023 0.000 1.339 322 N CA -0.203 52.939 53.050 0.154 0.000 0.845 322 N CB 0.534 39.100 38.487 0.132 0.000 1.091 322 N HN 0.246 nan 8.380 nan 0.000 0.489 323 P HA -0.213 nan 4.420 nan 0.000 0.216 323 P C 1.311 178.543 177.300 -0.113 0.000 1.154 323 P CA 1.318 64.269 63.100 -0.248 0.000 0.865 323 P CB 0.140 31.597 31.700 -0.405 0.000 0.789 324 L N -1.197 119.991 121.223 -0.058 0.000 2.017 324 L HA -0.195 4.137 4.340 -0.014 0.000 0.208 324 L C 2.529 179.359 176.870 -0.066 0.000 1.073 324 L CA 1.859 56.670 54.840 -0.049 0.000 0.745 324 L CB -1.288 40.760 42.059 -0.019 0.000 0.894 324 L HN -0.038 nan 8.230 nan 0.000 0.432 325 A N -1.007 121.774 122.820 -0.066 0.000 1.898 325 A HA -0.207 4.105 4.320 -0.014 0.000 0.216 325 A C 2.385 179.897 177.584 -0.120 0.000 1.181 325 A CA 1.708 53.697 52.037 -0.079 0.000 0.620 325 A CB -1.125 17.832 19.000 -0.070 0.000 0.819 325 A HN 0.546 nan 8.150 nan 0.000 0.442 326 C N -1.010 118.191 119.300 -0.164 0.000 2.425 326 C HA 0.069 4.521 4.460 -0.014 0.000 0.277 326 C C 3.280 178.201 174.990 -0.114 0.000 1.280 326 C CA 0.777 59.676 59.018 -0.198 0.000 1.744 326 C CB -1.286 26.301 27.740 -0.255 0.000 1.989 326 C HN 0.697 nan 8.230 nan 0.000 0.491 327 A N -0.477 122.286 122.820 -0.095 0.000 1.897 327 A HA -0.081 4.231 4.320 -0.014 0.000 0.215 327 A C 2.339 179.859 177.584 -0.107 0.000 1.181 327 A CA 1.712 53.701 52.037 -0.079 0.000 0.620 327 A CB -0.854 18.103 19.000 -0.070 0.000 0.821 327 A HN 0.356 nan 8.150 nan 0.000 0.443 328 V N -0.027 119.804 119.914 -0.139 0.000 2.515 328 V HA -0.157 3.955 4.120 -0.014 0.000 0.250 328 V C 2.524 178.509 176.094 -0.181 0.000 1.058 328 V CA 2.624 64.796 62.300 -0.213 0.000 1.064 328 V CB -0.426 31.213 31.823 -0.306 0.000 0.675 328 V HN 0.557 nan 8.190 nan 0.000 0.461 329 S N -0.196 115.426 115.700 -0.130 0.000 2.356 329 S HA -0.175 4.287 4.470 -0.014 0.000 0.223 329 S C 1.906 176.459 174.600 -0.079 0.000 1.032 329 S CA 1.603 59.736 58.200 -0.111 0.000 1.005 329 S CB -0.297 62.855 63.200 -0.080 0.000 0.867 329 S HN 0.487 nan 8.310 nan 0.000 0.449 330 V N 2.311 122.193 119.914 -0.054 0.000 2.252 330 V HA -0.277 3.834 4.120 -0.014 0.000 0.249 330 V C 2.711 178.779 176.094 -0.044 0.000 1.056 330 V CA 1.866 64.154 62.300 -0.021 0.000 1.022 330 V CB -1.366 30.451 31.823 -0.010 0.000 0.641 330 V HN 0.557 nan 8.190 nan 0.000 0.445 331 A N -0.483 122.285 122.820 -0.086 0.000 1.865 331 A HA -0.290 4.022 4.320 -0.014 0.000 0.217 331 A C 2.588 180.080 177.584 -0.154 0.000 1.191 331 A CA 2.589 54.555 52.037 -0.118 0.000 0.623 331 A CB -1.041 17.866 19.000 -0.155 0.000 0.826 331 A HN 0.522 nan 8.150 nan 0.000 0.444 332 S N -0.866 114.741 115.700 -0.155 0.000 2.370 332 S HA -0.132 4.330 4.470 -0.014 0.000 0.226 332 S C 1.886 176.502 174.600 0.027 0.000 1.033 332 S CA 1.769 59.911 58.200 -0.097 0.000 1.011 332 S CB -0.505 62.671 63.200 -0.041 0.000 0.852 332 S HN 0.294 nan 8.310 nan 0.000 0.457 333 V N 1.601 121.507 119.914 -0.012 0.000 2.379 333 V HA -0.076 4.036 4.120 -0.014 0.000 0.245 333 V C 2.504 178.640 176.094 0.071 0.000 1.044 333 V CA 1.941 64.276 62.300 0.059 0.000 1.036 333 V CB -0.729 31.156 31.823 0.102 0.000 0.664 333 V HN 0.526 nan 8.190 nan 0.000 0.453 334 E N -0.077 120.140 120.200 0.029 0.000 2.110 334 E HA -0.206 4.136 4.350 -0.014 0.000 0.193 334 E C 2.273 178.880 176.600 0.013 0.000 0.988 334 E CA 1.114 57.530 56.400 0.028 0.000 0.804 334 E CB -0.161 29.544 29.700 0.008 0.000 0.745 334 E HN 0.451 nan 8.360 nan 0.000 0.458 335 L N 0.757 121.937 121.223 -0.071 0.000 2.079 335 L HA -0.208 4.123 4.340 -0.014 0.000 0.210 335 L C 2.451 179.344 176.870 0.038 0.000 1.081 335 L CA 0.855 55.601 54.840 -0.157 0.000 0.752 335 L CB -0.110 41.580 42.059 -0.614 0.000 0.896 335 L HN 0.220 nan 8.230 nan 0.000 0.433 336 L N -0.729 120.604 121.223 0.184 0.000 2.023 336 L HA -0.197 4.135 4.340 -0.014 0.000 0.205 336 L C 2.233 179.258 176.870 0.259 0.000 1.073 336 L CA 1.461 56.474 54.840 0.287 0.000 0.745 336 L CB -0.437 41.731 42.059 0.181 0.000 0.900 336 L HN 0.089 nan 8.230 nan 0.000 0.435 337 L N -0.005 121.324 121.223 0.176 0.000 2.131 337 L HA -0.058 4.273 4.340 -0.014 0.000 0.210 337 L C 2.403 179.415 176.870 0.237 0.000 1.092 337 L CA 1.832 56.810 54.840 0.230 0.000 0.759 337 L CB -1.973 40.174 42.059 0.148 0.000 0.903 337 L HN 0.423 nan 8.230 nan 0.000 0.435 338 G N -1.256 107.645 108.800 0.168 0.000 2.813 338 G HA2 -0.017 3.935 3.960 -0.014 0.000 0.209 338 G HA3 -0.017 3.935 3.960 -0.014 0.000 0.209 338 G C 0.654 175.630 174.900 0.127 0.000 1.150 338 G CA -0.035 45.138 45.100 0.123 0.000 0.785 338 G HN 0.498 nan 8.290 nan 0.000 0.535 339 Q N 0.165 120.072 119.800 0.179 0.000 2.333 339 Q HA 0.362 4.694 4.340 -0.014 0.000 0.266 339 Q C -1.245 174.836 176.000 0.135 0.000 1.053 339 Q CA -0.950 54.944 55.803 0.151 0.000 0.890 339 Q CB 1.252 30.095 28.738 0.176 0.000 1.337 339 Q HN 0.094 nan 8.270 nan 0.000 0.474 340 D N 1.732 122.149 120.400 0.029 0.000 2.494 340 D HA -0.001 4.631 4.640 -0.014 0.000 0.217 340 D C 0.611 176.808 176.300 -0.172 0.000 1.153 340 D CA -0.668 53.247 54.000 -0.142 0.000 0.954 340 D CB -0.235 40.462 40.800 -0.171 0.000 1.034 340 D HN 0.886 nan 8.370 nan 0.000 0.518 341 W N 3.043 124.340 121.300 -0.005 0.000 2.392 341 W HA -0.081 4.569 4.660 -0.016 0.000 0.279 341 W C 1.505 177.960 176.519 -0.108 0.000 1.225 341 W CA -0.110 57.208 57.345 -0.044 0.000 1.233 341 W CB -0.726 28.717 29.460 -0.029 0.000 1.122 341 W HN 0.316 nan 8.180 nan 0.000 0.561 342 R N 1.136 121.057 120.500 -0.964 0.000 2.073 342 R HA -0.092 4.240 4.340 -0.014 0.000 0.229 342 R C 2.164 178.243 176.300 -0.369 0.000 1.120 342 R CA 2.270 57.832 56.100 -0.897 0.000 0.967 342 R CB -0.558 28.936 30.300 -1.344 0.000 0.862 342 R HN -0.021 nan 8.270 nan 0.000 0.436 343 T N 0.587 114.958 114.554 -0.304 0.000 2.821 343 T HA -0.113 4.229 4.350 -0.014 0.000 0.267 343 T C 1.706 176.348 174.700 -0.097 0.000 1.046 343 T CA 1.431 63.434 62.100 -0.162 0.000 1.139 343 T CB -0.239 68.552 68.868 -0.128 0.000 0.871 343 T HN 0.239 nan 8.240 nan 0.000 0.454 344 R N 1.121 121.576 120.500 -0.076 0.000 2.091 344 R HA -0.024 4.308 4.340 -0.014 0.000 0.238 344 R C 2.123 178.394 176.300 -0.049 0.000 1.136 344 R CA 1.336 57.422 56.100 -0.024 0.000 0.959 344 R CB -0.646 29.673 30.300 0.033 0.000 0.856 344 R HN 0.280 nan 8.270 nan 0.000 0.437 345 I N 0.221 120.737 120.570 -0.089 0.000 2.353 345 I HA -0.163 3.999 4.170 -0.014 0.000 0.248 345 I C 1.772 177.857 176.117 -0.053 0.000 1.119 345 I CA 1.463 62.699 61.300 -0.106 0.000 1.417 345 I CB -1.362 36.577 38.000 -0.102 0.000 1.078 345 I HN 0.231 nan 8.210 nan 0.000 0.421 346 T N 0.970 115.491 114.554 -0.055 0.000 2.720 346 T HA -0.183 4.158 4.350 -0.014 0.000 0.268 346 T C 1.767 176.452 174.700 -0.026 0.000 1.037 346 T CA 1.444 63.519 62.100 -0.041 0.000 1.144 346 T CB -0.202 68.632 68.868 -0.057 0.000 0.864 346 T HN 0.440 nan 8.240 nan 0.000 0.444 347 E N 0.833 121.019 120.200 -0.023 0.000 2.072 347 E HA -0.039 4.303 4.350 -0.014 0.000 0.191 347 E C 2.246 178.849 176.600 0.005 0.000 0.985 347 E CA 0.806 57.202 56.400 -0.006 0.000 0.801 347 E CB -0.342 29.359 29.700 0.001 0.000 0.750 347 E HN 0.404 nan 8.360 nan 0.000 0.452 348 L N 0.801 122.028 121.223 0.007 0.000 2.046 348 L HA -0.200 4.132 4.340 -0.014 0.000 0.208 348 L C 2.613 179.494 176.870 0.018 0.000 1.077 348 L CA 1.118 55.970 54.840 0.021 0.000 0.747 348 L CB -0.500 41.580 42.059 0.034 0.000 0.896 348 L HN 0.146 nan 8.230 nan 0.000 0.432 349 A N 0.006 122.830 122.820 0.007 0.000 1.877 349 A HA -0.185 4.126 4.320 -0.014 0.000 0.216 349 A C 2.553 180.143 177.584 0.010 0.000 1.186 349 A CA 1.807 53.849 52.037 0.008 0.000 0.620 349 A CB -0.814 18.182 19.000 -0.007 0.000 0.822 349 A HN 0.397 nan 8.150 nan 0.000 0.443 350 A N -0.423 122.400 122.820 0.005 0.000 1.865 350 A HA 0.065 4.377 4.320 -0.014 0.000 0.217 350 A C 2.487 180.079 177.584 0.012 0.000 1.191 350 A CA 2.135 54.176 52.037 0.006 0.000 0.623 350 A CB -1.574 17.427 19.000 0.002 0.000 0.826 350 A HN 0.833 nan 8.150 nan 0.000 0.444 351 G N -0.356 108.452 108.800 0.014 0.000 2.442 351 G HA2 -0.193 3.759 3.960 -0.014 0.000 0.219 351 G HA3 -0.193 3.759 3.960 -0.014 0.000 0.219 351 G C 1.556 176.467 174.900 0.018 0.000 1.141 351 G CA 1.154 46.264 45.100 0.017 0.000 0.763 351 G HN 0.444 nan 8.290 nan 0.000 0.554 352 L N 0.271 121.507 121.223 0.022 0.000 2.093 352 L HA -0.045 4.287 4.340 -0.014 0.000 0.208 352 L C 3.185 180.072 176.870 0.029 0.000 1.085 352 L CA 1.476 56.332 54.840 0.027 0.000 0.755 352 L CB -0.634 41.448 42.059 0.038 0.000 0.904 352 L HN 0.155 nan 8.230 nan 0.000 0.435 353 T N -0.156 114.414 114.554 0.028 0.000 2.737 353 T HA -0.132 4.210 4.350 -0.014 0.000 0.265 353 T C 2.061 176.773 174.700 0.020 0.000 1.038 353 T CA 1.219 63.336 62.100 0.027 0.000 1.144 353 T CB -0.266 68.615 68.868 0.023 0.000 0.866 353 T HN 0.415 nan 8.240 nan 0.000 0.434 354 A N 1.500 124.330 122.820 0.016 0.000 1.883 354 A HA 0.033 4.345 4.320 -0.014 0.000 0.217 354 A C 2.603 180.195 177.584 0.013 0.000 1.186 354 A CA 1.977 54.022 52.037 0.013 0.000 0.624 354 A CB -1.353 17.654 19.000 0.012 0.000 0.822 354 A HN 0.526 nan 8.150 nan 0.000 0.444 355 G N -1.171 107.637 108.800 0.014 0.000 2.511 355 G HA2 0.093 4.045 3.960 -0.014 0.000 0.217 355 G HA3 0.093 4.045 3.960 -0.014 0.000 0.217 355 G C 1.398 176.304 174.900 0.010 0.000 1.133 355 G CA 0.762 45.869 45.100 0.011 0.000 0.792 355 G HN 0.421 nan 8.290 nan 0.000 0.539 356 L N -0.167 121.065 121.223 0.015 0.000 2.463 356 L HA 0.139 4.471 4.340 -0.014 0.000 0.219 356 L C 2.216 179.094 176.870 0.013 0.000 1.088 356 L CA 0.351 55.200 54.840 0.015 0.000 0.849 356 L CB 0.012 42.086 42.059 0.025 0.000 1.012 356 L HN 0.094 nan 8.230 nan 0.000 0.468 357 D N 0.543 120.952 120.400 0.014 0.000 2.149 357 D HA -0.285 4.347 4.640 -0.014 0.000 0.194 357 D C 2.154 178.458 176.300 0.007 0.000 1.001 357 D CA 2.098 56.104 54.000 0.011 0.000 0.849 357 D CB 0.132 40.938 40.800 0.011 0.000 0.939 357 D HN 0.220 nan 8.370 nan 0.000 0.449 358 T N -1.894 112.663 114.554 0.006 0.000 2.946 358 T HA -0.077 4.265 4.350 -0.014 0.000 0.271 358 T C 1.749 176.450 174.700 0.001 0.000 1.104 358 T CA 1.597 63.699 62.100 0.003 0.000 1.114 358 T CB -0.465 68.405 68.868 0.003 0.000 0.867 358 T HN 0.157 nan 8.240 nan 0.000 0.513 359 A N 0.626 123.447 122.820 0.001 0.000 2.123 359 A HA 0.288 4.599 4.320 -0.014 0.000 0.214 359 A C 2.303 179.885 177.584 -0.003 0.000 1.152 359 A CA 0.929 52.965 52.037 -0.002 0.000 0.728 359 A CB -0.597 18.403 19.000 -0.001 0.000 0.814 359 A HN 0.458 nan 8.150 nan 0.000 0.464 360 R N 0.340 120.840 120.500 -0.000 0.000 2.117 360 R HA -0.081 4.251 4.340 -0.014 0.000 0.243 360 R C 1.404 177.702 176.300 -0.004 0.000 1.143 360 R CA 1.608 57.708 56.100 -0.002 0.000 0.968 360 R CB -0.481 29.820 30.300 0.002 0.000 0.863 360 R HN 0.385 nan 8.270 nan 0.000 0.444 361 A N -0.376 122.442 122.820 -0.003 0.000 2.684 361 A HA 0.304 4.616 4.320 -0.014 0.000 0.288 361 A C -0.281 177.300 177.584 -0.006 0.000 1.337 361 A CA -0.426 51.608 52.037 -0.004 0.000 0.946 361 A CB -0.126 18.872 19.000 -0.003 0.000 1.093 361 A HN 0.143 nan 8.150 nan 0.000 0.543 362 L N 0.239 121.458 121.223 -0.007 0.000 2.360 362 L HA 0.330 4.662 4.340 -0.014 0.000 0.271 362 L C -0.958 175.906 176.870 -0.011 0.000 1.057 362 L CA -2.013 52.821 54.840 -0.009 0.000 0.803 362 L CB 1.606 43.659 42.059 -0.009 0.000 1.207 362 L HN 0.152 nan 8.230 nan 0.000 0.445 363 P HA -0.116 nan 4.420 nan 0.000 0.219 363 P C 0.682 177.973 177.300 -0.015 0.000 1.150 363 P CA 0.905 63.998 63.100 -0.012 0.000 0.814 363 P CB 0.340 32.033 31.700 -0.012 0.000 0.787 364 A N -0.458 122.353 122.820 -0.016 0.000 2.308 364 A HA 0.244 4.556 4.320 -0.014 0.000 0.217 364 A C 0.846 178.418 177.584 -0.020 0.000 1.216 364 A CA 0.019 52.044 52.037 -0.019 0.000 0.864 364 A CB -0.188 18.800 19.000 -0.020 0.000 0.902 364 A HN 0.040 nan 8.150 nan 0.000 0.499 365 V N 1.194 121.097 119.914 -0.018 0.000 2.364 365 V HA 0.171 4.283 4.120 -0.014 0.000 0.272 365 V C 1.144 177.225 176.094 -0.022 0.000 1.036 365 V CA 0.306 62.594 62.300 -0.019 0.000 0.880 365 V CB 0.884 32.698 31.823 -0.014 0.000 0.991 365 V HN 0.510 nan 8.190 nan 0.000 0.460 366 T N 2.779 117.316 114.554 -0.028 0.000 2.976 366 T HA 0.063 4.404 4.350 -0.014 0.000 0.257 366 T C 0.296 174.974 174.700 -0.035 0.000 1.051 366 T CA 0.632 62.712 62.100 -0.033 0.000 1.141 366 T CB 0.065 68.908 68.868 -0.041 0.000 0.881 366 T HN 0.693 nan 8.240 nan 0.000 0.461 367 D N -0.424 119.952 120.400 -0.039 0.000 2.736 367 D HA 0.490 5.121 4.640 -0.014 0.000 0.223 367 D C -1.772 174.507 176.300 -0.035 0.000 1.231 367 D CA -0.469 53.505 54.000 -0.043 0.000 0.818 367 D CB 2.124 42.882 40.800 -0.071 0.000 1.587 367 D HN -0.135 nan 8.370 nan 0.000 0.463 368 V N 3.134 123.035 119.914 -0.021 0.000 2.483 368 V HA 0.670 4.781 4.120 -0.014 0.000 0.297 368 V C -0.557 175.547 176.094 0.017 0.000 1.027 368 V CA -0.724 61.575 62.300 -0.002 0.000 0.855 368 V CB 1.607 33.437 31.823 0.011 0.000 0.995 368 V HN 0.627 nan 8.190 nan 0.000 0.424 369 R N 3.315 123.837 120.500 0.037 0.000 2.651 369 R HA 0.935 5.267 4.340 -0.014 0.000 0.278 369 R C -2.084 174.402 176.300 0.309 0.000 1.010 369 R CA -0.842 55.340 56.100 0.137 0.000 0.896 369 R CB 2.374 32.671 30.300 -0.006 0.000 1.211 369 R HN 0.317 nan 8.270 nan 0.000 0.456 370 V N 1.517 121.642 119.914 0.351 0.000 2.709 370 V HA 0.500 4.612 4.120 -0.014 0.000 0.308 370 V C -1.093 175.036 176.094 0.059 0.000 1.062 370 V CA -0.761 61.682 62.300 0.239 0.000 0.901 370 V CB 1.944 33.832 31.823 0.108 0.000 1.003 370 V HN 0.976 nan 8.190 nan 0.000 0.425 371 C N 4.797 123.984 119.300 -0.188 0.000 2.478 371 C HA 0.735 5.187 4.460 -0.014 0.000 0.334 371 C C 1.096 175.968 174.990 -0.198 0.000 1.106 371 C CA 0.436 59.189 59.018 -0.442 0.000 1.363 371 C CB -0.364 26.665 27.740 -1.184 0.000 1.941 371 C HN 1.583 nan 8.230 nan 0.000 0.436 372 G N 4.464 113.203 108.800 -0.102 0.000 2.627 372 G HA2 -0.093 3.858 3.960 -0.014 0.000 0.312 372 G HA3 -0.093 3.858 3.960 -0.014 0.000 0.312 372 G C 0.844 175.746 174.900 0.004 0.000 1.299 372 G CA 0.310 45.394 45.100 -0.027 0.000 0.989 372 G HN 2.203 nan 8.290 nan 0.000 0.547 373 A N -0.014 122.829 122.820 0.039 0.000 2.728 373 A HA 0.604 4.916 4.320 -0.014 0.000 0.258 373 A C 0.496 178.143 177.584 0.106 0.000 1.454 373 A CA 0.454 52.541 52.037 0.084 0.000 1.146 373 A CB -0.763 18.326 19.000 0.148 0.000 0.985 373 A HN 0.715 nan 8.150 nan 0.000 0.603 374 I N -0.458 120.167 120.570 0.091 0.000 2.533 374 I HA 0.571 4.733 4.170 -0.014 0.000 0.290 374 I C 0.294 176.516 176.117 0.176 0.000 1.056 374 I CA -0.608 60.774 61.300 0.137 0.000 1.057 374 I CB 2.467 40.594 38.000 0.212 0.000 1.240 374 I HN 0.218 nan 8.210 nan 0.000 0.423 375 G N 5.086 113.990 108.800 0.173 0.000 2.666 375 G HA2 0.697 4.649 3.960 -0.014 0.000 0.303 375 G HA3 0.697 4.649 3.960 -0.014 0.000 0.303 375 G C -1.434 173.572 174.900 0.176 0.000 1.412 375 G CA -0.467 44.730 45.100 0.162 0.000 0.979 375 G HN 0.330 nan 8.290 nan 0.000 0.507 376 V N 3.009 123.014 119.914 0.152 0.000 2.638 376 V HA 0.498 4.610 4.120 -0.014 0.000 0.306 376 V C -0.427 175.692 176.094 0.042 0.000 1.052 376 V CA -0.655 61.705 62.300 0.100 0.000 0.885 376 V CB 1.892 33.708 31.823 -0.011 0.000 0.999 376 V HN 0.706 nan 8.190 nan 0.000 0.424 377 I N 3.446 124.043 120.570 0.045 0.000 2.354 377 I HA 0.422 4.584 4.170 -0.014 0.000 0.286 377 I C 0.102 176.221 176.117 0.003 0.000 1.007 377 I CA -0.224 61.084 61.300 0.014 0.000 1.167 377 I CB 1.584 39.592 38.000 0.013 0.000 1.320 377 I HN 0.708 nan 8.210 nan 0.000 0.458 378 E N 5.804 125.988 120.200 -0.027 0.000 2.227 378 E HA 0.432 4.774 4.350 -0.014 0.000 0.282 378 E C -1.129 175.452 176.600 -0.032 0.000 1.015 378 E CA -0.514 55.864 56.400 -0.037 0.000 0.823 378 E CB 1.250 30.909 29.700 -0.069 0.000 1.081 378 E HN 0.638 nan 8.360 nan 0.000 0.396 379 C N 2.196 121.478 119.300 -0.029 0.000 2.564 379 C HA 0.279 4.731 4.460 -0.014 0.000 0.381 379 C C 0.641 175.610 174.990 -0.036 0.000 1.297 379 C CA -0.570 58.430 59.018 -0.029 0.000 1.846 379 C CB 1.016 28.741 27.740 -0.025 0.000 2.198 379 C HN 0.922 nan 8.230 nan 0.000 0.507 380 D N -0.268 120.112 120.400 -0.033 0.000 2.342 380 D HA 0.104 4.736 4.640 -0.014 0.000 0.221 380 D C 0.380 176.658 176.300 -0.037 0.000 1.101 380 D CA 0.014 53.993 54.000 -0.035 0.000 0.837 380 D CB 0.045 40.827 40.800 -0.030 0.000 0.938 380 D HN 0.737 nan 8.370 nan 0.000 0.508 381 R N -1.680 118.797 120.500 -0.039 0.000 2.692 381 R HA 0.527 4.859 4.340 -0.014 0.000 0.269 381 R C -3.350 172.921 176.300 -0.048 0.000 1.030 381 R CA -1.658 54.417 56.100 -0.041 0.000 0.882 381 R CB -0.192 30.087 30.300 -0.034 0.000 1.250 381 R HN -0.292 nan 8.270 nan 0.000 0.465 382 P HA -0.019 nan 4.420 nan 0.000 0.268 382 P C -0.295 176.973 177.300 -0.053 0.000 1.208 382 P CA -0.442 62.618 63.100 -0.066 0.000 0.777 382 P CB 0.518 32.177 31.700 -0.067 0.000 0.875 383 V N -0.758 119.124 119.914 -0.053 0.000 2.383 383 V HA 0.348 4.459 4.120 -0.014 0.000 0.275 383 V C 0.099 176.167 176.094 -0.043 0.000 1.036 383 V CA -0.785 61.491 62.300 -0.041 0.000 0.889 383 V CB 1.085 32.889 31.823 -0.031 0.000 0.985 383 V HN 0.314 nan 8.190 nan 0.000 0.459 384 D N 3.615 123.991 120.400 -0.040 0.000 2.358 384 D HA 0.170 4.802 4.640 -0.014 0.000 0.258 384 D C 0.720 176.994 176.300 -0.043 0.000 1.223 384 D CA 0.117 54.094 54.000 -0.038 0.000 0.886 384 D CB 1.472 42.252 40.800 -0.033 0.000 1.120 384 D HN 0.599 nan 8.370 nan 0.000 0.482 385 L N 4.048 125.245 121.223 -0.043 0.000 2.240 385 L HA -0.008 4.324 4.340 -0.014 0.000 0.211 385 L C 2.448 179.288 176.870 -0.050 0.000 1.106 385 L CA 1.070 55.877 54.840 -0.055 0.000 0.793 385 L CB -0.329 41.700 42.059 -0.050 0.000 0.927 385 L HN 0.556 nan 8.230 nan 0.000 0.446 386 A N -0.924 121.874 122.820 -0.036 0.000 2.024 386 A HA -0.130 4.181 4.320 -0.014 0.000 0.220 386 A C 2.194 179.761 177.584 -0.028 0.000 1.164 386 A CA 2.053 54.073 52.037 -0.028 0.000 0.643 386 A CB -0.540 18.446 19.000 -0.023 0.000 0.806 386 A HN 0.242 nan 8.150 nan 0.000 0.451 387 V N -1.482 118.411 119.914 -0.034 0.000 2.922 387 V HA 0.073 4.184 4.120 -0.014 0.000 0.242 387 V C 2.823 178.891 176.094 -0.043 0.000 1.094 387 V CA 1.086 63.367 62.300 -0.032 0.000 1.106 387 V CB -0.771 31.035 31.823 -0.029 0.000 0.799 387 V HN 0.525 nan 8.190 nan 0.000 0.474 388 A N 0.209 122.994 122.820 -0.058 0.000 1.855 388 A HA -0.198 4.114 4.320 -0.014 0.000 0.215 388 A C 2.379 179.900 177.584 -0.105 0.000 1.191 388 A CA 2.618 54.607 52.037 -0.080 0.000 0.613 388 A CB -1.022 17.922 19.000 -0.093 0.000 0.829 388 A HN 0.430 nan 8.150 nan 0.000 0.442 389 T N 0.403 114.886 114.554 -0.118 0.000 2.674 389 T HA -0.075 4.266 4.350 -0.014 0.000 0.265 389 T C -0.307 174.356 174.700 -0.061 0.000 1.039 389 T CA 1.798 63.810 62.100 -0.147 0.000 1.150 389 T CB -0.965 67.816 68.868 -0.146 0.000 0.864 389 T HN 0.469 nan 8.240 nan 0.000 0.427 390 P HA 0.059 nan 4.420 nan 0.000 0.222 390 P C 1.119 178.416 177.300 -0.005 0.000 1.147 390 P CA 0.965 64.067 63.100 0.003 0.000 0.790 390 P CB -0.113 31.588 31.700 0.002 0.000 0.780 391 A N 0.440 123.245 122.820 -0.025 0.000 1.930 391 A HA 0.128 4.440 4.320 -0.014 0.000 0.215 391 A C 2.406 179.976 177.584 -0.024 0.000 1.176 391 A CA 1.589 53.612 52.037 -0.023 0.000 0.632 391 A CB -1.249 17.732 19.000 -0.032 0.000 0.819 391 A HN 0.221 nan 8.150 nan 0.000 0.445 392 A N -0.377 122.416 122.820 -0.045 0.000 1.970 392 A HA 0.159 4.470 4.320 -0.014 0.000 0.216 392 A C 2.074 179.659 177.584 0.002 0.000 1.170 392 A CA 0.958 52.967 52.037 -0.046 0.000 0.645 392 A CB -0.480 18.454 19.000 -0.111 0.000 0.816 392 A HN 0.427 nan 8.150 nan 0.000 0.447 393 L N -0.306 120.935 121.223 0.030 0.000 2.042 393 L HA -0.212 4.120 4.340 -0.014 0.000 0.210 393 L C 1.902 178.814 176.870 0.069 0.000 1.076 393 L CA 1.469 56.361 54.840 0.086 0.000 0.749 393 L CB -0.592 41.532 42.059 0.109 0.000 0.893 393 L HN 0.338 nan 8.230 nan 0.000 0.432 394 D N -0.026 120.400 120.400 0.044 0.000 2.263 394 D HA -0.139 4.493 4.640 -0.014 0.000 0.208 394 D C 1.932 178.258 176.300 0.043 0.000 0.971 394 D CA 1.002 55.025 54.000 0.039 0.000 0.867 394 D CB 0.019 40.833 40.800 0.023 0.000 0.929 394 D HN 0.317 nan 8.370 nan 0.000 0.492 395 R N -0.396 120.127 120.500 0.039 0.000 2.359 395 R HA 0.179 4.511 4.340 -0.014 0.000 0.231 395 R C 0.917 177.259 176.300 0.070 0.000 0.913 395 R CA 0.324 56.450 56.100 0.042 0.000 1.075 395 R CB 0.607 30.917 30.300 0.018 0.000 1.087 395 R HN 0.029 nan 8.270 nan 0.000 0.515 396 G N 1.353 110.211 108.800 0.096 0.000 2.246 396 G HA2 -0.235 3.716 3.960 -0.014 0.000 0.273 396 G HA3 -0.235 3.716 3.960 -0.014 0.000 0.273 396 G C -0.217 174.744 174.900 0.102 0.000 1.055 396 G CA 0.153 45.345 45.100 0.154 0.000 0.851 396 G HN 0.155 nan 8.290 nan 0.000 0.500 397 V N 0.306 120.258 119.914 0.063 0.000 2.686 397 V HA 0.571 4.682 4.120 -0.014 0.000 0.306 397 V C 0.009 176.152 176.094 0.082 0.000 1.065 397 V CA -1.193 61.115 62.300 0.014 0.000 0.894 397 V CB 2.125 33.916 31.823 -0.053 0.000 1.004 397 V HN 0.409 nan 8.190 nan 0.000 0.424 398 W N 6.843 128.088 121.300 -0.092 0.000 2.342 398 W HA 0.669 5.320 4.660 -0.014 0.000 0.310 398 W C -1.865 174.587 176.519 -0.112 0.000 1.128 398 W CA -0.401 56.894 57.345 -0.084 0.000 1.322 398 W CB 0.941 30.357 29.460 -0.073 0.000 1.251 398 W HN 0.462 nan 8.180 nan 0.000 0.439 399 L N 6.250 127.004 121.223 -0.781 0.000 2.381 399 L HA 0.447 4.779 4.340 -0.014 0.000 0.268 399 L C -0.314 176.029 176.870 -0.880 0.000 0.997 399 L CA -1.005 53.426 54.840 -0.681 0.000 0.818 399 L CB 2.476 44.292 42.059 -0.404 0.000 1.310 399 L HN 0.263 nan 8.230 nan 0.000 0.416 400 R N 3.178 123.277 120.500 -0.669 0.000 2.513 400 R HA 0.427 4.758 4.340 -0.014 0.000 0.283 400 R C -2.671 173.453 176.300 -0.294 0.000 1.535 400 R CA -1.657 54.147 56.100 -0.493 0.000 1.315 400 R CB 0.835 30.908 30.300 -0.379 0.000 1.163 400 R HN 0.154 nan 8.270 nan 0.000 0.573 401 P HA 0.207 nan 4.420 nan 0.000 0.272 401 P C -1.323 176.113 177.300 0.225 0.000 1.230 401 P CA -0.202 62.915 63.100 0.029 0.000 0.788 401 P CB 0.467 32.154 31.700 -0.021 0.000 0.949 402 F N 2.114 122.146 119.950 0.138 0.000 2.573 402 F HA 0.421 4.940 4.527 -0.013 0.000 0.316 402 F C 0.802 176.636 175.800 0.056 0.000 1.148 402 F CA -0.566 57.497 58.000 0.106 0.000 0.940 402 F CB 1.223 40.333 39.000 0.185 0.000 1.214 402 F HN 0.403 nan 8.300 nan 0.000 0.448 403 R N 1.561 121.758 120.500 -0.504 0.000 3.793 403 R HA -0.335 3.997 4.340 -0.014 0.000 0.464 403 R C 0.463 176.671 176.300 -0.153 0.000 0.241 403 R CA 1.987 57.854 56.100 -0.388 0.000 1.464 403 R CB -1.035 28.962 30.300 -0.503 0.000 0.954 403 R HN 0.795 nan 8.270 nan 0.000 0.583 404 N N 2.148 120.781 118.700 -0.111 0.000 2.276 404 N HA 0.124 4.856 4.740 -0.014 0.000 0.212 404 N C -0.324 175.178 175.510 -0.013 0.000 1.127 404 N CA 0.383 53.399 53.050 -0.056 0.000 0.834 404 N CB 0.164 38.615 38.487 -0.061 0.000 1.014 404 N HN 0.277 nan 8.380 nan 0.000 0.491 405 L N 0.484 121.729 121.223 0.038 0.000 2.313 405 L HA 0.499 4.830 4.340 -0.014 0.000 0.283 405 L C -0.570 176.425 176.870 0.208 0.000 1.013 405 L CA -1.089 53.818 54.840 0.112 0.000 0.816 405 L CB 2.309 44.434 42.059 0.110 0.000 1.236 405 L HN -0.235 nan 8.230 nan 0.000 0.419 406 V N 3.985 123.992 119.914 0.155 0.000 2.357 406 V HA 0.487 4.599 4.120 -0.014 0.000 0.284 406 V C -0.794 175.405 176.094 0.176 0.000 1.018 406 V CA -0.554 61.812 62.300 0.110 0.000 0.841 406 V CB 0.787 32.621 31.823 0.017 0.000 0.991 406 V HN 0.655 nan 8.190 nan 0.000 0.437 407 Y N 2.875 123.151 120.300 -0.040 0.000 2.625 407 Y HA 0.955 5.497 4.550 -0.013 0.000 0.338 407 Y C -0.595 175.256 175.900 -0.082 0.000 1.123 407 Y CA -1.412 56.664 58.100 -0.040 0.000 1.046 407 Y CB 1.684 40.137 38.460 -0.012 0.000 1.299 407 Y HN 0.708 nan 8.280 nan 0.000 0.464 408 A N 3.508 126.291 122.820 -0.063 0.000 2.549 408 A HA 0.826 5.138 4.320 -0.014 0.000 0.297 408 A C -1.321 176.202 177.584 -0.101 0.000 1.061 408 A CA -0.878 51.053 52.037 -0.176 0.000 0.690 408 A CB 1.755 20.678 19.000 -0.129 0.000 1.287 408 A HN 1.131 nan 8.150 nan 0.000 0.402 409 M N 1.561 121.041 119.600 -0.200 0.000 1.988 409 M HA 0.392 4.864 4.480 -0.014 0.000 0.243 409 M C -3.267 172.965 176.300 -0.113 0.000 0.897 409 M CA -1.970 53.228 55.300 -0.169 0.000 0.935 409 M CB 0.627 32.980 32.600 -0.412 0.000 1.956 409 M HN 0.287 nan 8.290 nan 0.000 0.389 410 P HA 0.502 nan 4.420 nan 0.000 0.277 410 P C -2.720 174.583 177.300 0.006 0.000 1.240 410 P CA -1.112 61.968 63.100 -0.034 0.000 0.798 410 P CB -0.147 31.539 31.700 -0.024 0.000 0.979 411 P HA -0.048 nan 4.420 nan 0.000 0.267 411 P C 0.610 177.971 177.300 0.103 0.000 1.201 411 P CA 0.469 63.525 63.100 -0.073 0.000 0.775 411 P CB -0.105 31.560 31.700 -0.058 0.000 0.854 412 Y N 1.509 121.813 120.300 0.007 0.000 2.574 412 Y HA -0.053 4.488 4.550 -0.015 0.000 0.294 412 Y C 1.833 177.780 175.900 0.078 0.000 1.142 412 Y CA 0.498 58.624 58.100 0.043 0.000 1.314 412 Y CB -1.319 37.169 38.460 0.046 0.000 0.991 412 Y HN 0.325 nan 8.280 nan 0.000 0.555 413 I N -3.995 116.709 120.570 0.223 0.000 3.684 413 I HA 0.139 4.301 4.170 -0.014 0.000 0.304 413 I C 0.441 176.648 176.117 0.150 0.000 1.278 413 I CA -0.420 60.998 61.300 0.196 0.000 1.272 413 I CB -0.752 37.374 38.000 0.210 0.000 1.029 413 I HN -0.155 nan 8.210 nan 0.000 0.458 414 C N 3.314 122.685 119.300 0.119 0.000 2.642 414 C HA 0.233 4.685 4.460 -0.014 0.000 0.420 414 C C 1.574 176.619 174.990 0.090 0.000 1.349 414 C CA 0.021 59.088 59.018 0.081 0.000 1.821 414 C CB -0.260 27.500 27.740 0.034 0.000 2.637 414 C HN 0.620 nan 8.230 nan 0.000 0.605 415 T N 2.054 116.666 114.554 0.097 0.000 2.849 415 T HA 0.240 4.582 4.350 -0.014 0.000 0.284 415 T C -1.677 173.064 174.700 0.069 0.000 1.004 415 T CA -1.302 60.852 62.100 0.089 0.000 1.021 415 T CB 0.787 69.719 68.868 0.105 0.000 1.013 415 T HN 0.406 nan 8.240 nan 0.000 0.527 416 P HA -0.141 nan 4.420 nan 0.000 0.217 416 P C 1.589 178.918 177.300 0.048 0.000 1.151 416 P CA 1.739 64.866 63.100 0.046 0.000 0.849 416 P CB -0.308 31.416 31.700 0.041 0.000 0.787 417 A N -0.529 122.329 122.820 0.063 0.000 1.969 417 A HA -0.197 4.114 4.320 -0.014 0.000 0.218 417 A C 2.118 179.747 177.584 0.075 0.000 1.169 417 A CA 1.482 53.562 52.037 0.071 0.000 0.635 417 A CB -0.951 18.103 19.000 0.089 0.000 0.810 417 A HN 0.202 nan 8.150 nan 0.000 0.445 418 E N -0.319 119.926 120.200 0.076 0.000 2.072 418 E HA -0.099 4.243 4.350 -0.014 0.000 0.190 418 E C 1.788 178.378 176.600 -0.016 0.000 0.982 418 E CA 0.808 57.226 56.400 0.030 0.000 0.803 418 E CB -0.159 29.552 29.700 0.017 0.000 0.755 418 E HN 0.478 nan 8.360 nan 0.000 0.453 419 I N 1.372 121.944 120.570 0.004 0.000 2.208 419 I HA -0.232 3.929 4.170 -0.014 0.000 0.245 419 I C 2.309 178.425 176.117 -0.001 0.000 1.097 419 I CA 1.478 62.777 61.300 -0.003 0.000 1.363 419 I CB -1.473 36.536 38.000 0.014 0.000 1.051 419 I HN 0.112 nan 8.210 nan 0.000 0.413 420 T N 0.301 114.862 114.554 0.013 0.000 2.684 420 T HA -0.272 4.070 4.350 -0.014 0.000 0.267 420 T C 1.890 176.596 174.700 0.010 0.000 1.036 420 T CA 1.724 63.833 62.100 0.015 0.000 1.148 420 T CB -0.243 68.640 68.868 0.026 0.000 0.863 420 T HN 0.390 nan 8.240 nan 0.000 0.436 421 Q N 0.072 119.880 119.800 0.014 0.000 2.084 421 Q HA -0.081 4.251 4.340 -0.014 0.000 0.202 421 Q C 2.292 178.278 176.000 -0.023 0.000 0.978 421 Q CA 1.318 57.127 55.803 0.010 0.000 0.844 421 Q CB -0.252 28.505 28.738 0.032 0.000 0.898 421 Q HN 0.548 nan 8.270 nan 0.000 0.426 422 I N 0.372 120.914 120.570 -0.048 0.000 2.163 422 I HA -0.258 3.904 4.170 -0.014 0.000 0.240 422 I C 2.539 178.627 176.117 -0.048 0.000 1.081 422 I CA 1.685 62.945 61.300 -0.068 0.000 1.353 422 I CB -0.541 37.408 38.000 -0.085 0.000 1.054 422 I HN 0.400 nan 8.210 nan 0.000 0.407 423 T N -2.643 111.894 114.554 -0.028 0.000 2.915 423 T HA -0.142 4.199 4.350 -0.014 0.000 0.269 423 T C 1.993 176.684 174.700 -0.014 0.000 1.071 423 T CA 1.326 63.416 62.100 -0.018 0.000 1.132 423 T CB -0.362 68.504 68.868 -0.003 0.000 0.878 423 T HN 0.262 nan 8.240 nan 0.000 0.479 424 S N 1.606 117.299 115.700 -0.011 0.000 2.368 424 S HA 0.049 4.511 4.470 -0.014 0.000 0.225 424 S C 2.464 177.056 174.600 -0.014 0.000 1.030 424 S CA 1.170 59.366 58.200 -0.007 0.000 0.999 424 S CB -0.914 62.288 63.200 0.002 0.000 0.844 424 S HN 0.724 nan 8.310 nan 0.000 0.459 425 A N 1.227 124.033 122.820 -0.023 0.000 1.969 425 A HA 0.058 4.369 4.320 -0.014 0.000 0.218 425 A C 2.230 179.786 177.584 -0.046 0.000 1.169 425 A CA 1.453 53.470 52.037 -0.034 0.000 0.635 425 A CB -0.586 18.388 19.000 -0.043 0.000 0.810 425 A HN 0.650 nan 8.150 nan 0.000 0.445 426 M N -0.903 118.669 119.600 -0.048 0.000 2.132 426 M HA -0.101 4.370 4.480 -0.014 0.000 0.263 426 M C 2.051 178.333 176.300 -0.030 0.000 1.065 426 M CA 1.237 56.509 55.300 -0.048 0.000 1.122 426 M CB -0.399 32.176 32.600 -0.041 0.000 1.365 426 M HN 0.222 nan 8.290 nan 0.000 0.411 427 V N 0.442 120.344 119.914 -0.020 0.000 2.407 427 V HA -0.236 3.875 4.120 -0.014 0.000 0.248 427 V C 2.299 178.384 176.094 -0.016 0.000 1.055 427 V CA 2.149 64.441 62.300 -0.013 0.000 1.049 427 V CB -0.729 31.090 31.823 -0.007 0.000 0.662 427 V HN 0.454 nan 8.190 nan 0.000 0.455 428 E N 0.433 120.622 120.200 -0.018 0.000 2.106 428 E HA -0.180 4.162 4.350 -0.014 0.000 0.192 428 E C 2.103 178.689 176.600 -0.024 0.000 0.984 428 E CA 1.630 58.019 56.400 -0.018 0.000 0.806 428 E CB -0.438 29.252 29.700 -0.016 0.000 0.750 428 E HN 0.365 nan 8.360 nan 0.000 0.458 429 V N -0.033 119.861 119.914 -0.034 0.000 2.626 429 V HA -0.071 4.041 4.120 -0.014 0.000 0.252 429 V C 1.996 178.071 176.094 -0.032 0.000 1.067 429 V CA 1.969 64.246 62.300 -0.040 0.000 1.081 429 V CB -0.435 31.352 31.823 -0.060 0.000 0.686 429 V HN 0.390 nan 8.190 nan 0.000 0.468 430 A N 0.428 123.233 122.820 -0.026 0.000 1.872 430 A HA -0.136 4.176 4.320 -0.014 0.000 0.214 430 A C 2.412 179.984 177.584 -0.018 0.000 1.187 430 A CA 1.549 53.574 52.037 -0.020 0.000 0.614 430 A CB -0.755 18.236 19.000 -0.015 0.000 0.826 430 A HN 0.572 nan 8.150 nan 0.000 0.442 431 R N -0.238 120.252 120.500 -0.017 0.000 2.139 431 R HA -0.117 4.214 4.340 -0.014 0.000 0.243 431 R C 1.515 177.805 176.300 -0.016 0.000 1.145 431 R CA 1.464 57.556 56.100 -0.014 0.000 0.976 431 R CB -0.441 29.852 30.300 -0.012 0.000 0.866 431 R HN 0.536 nan 8.270 nan 0.000 0.449 432 L N 1.402 122.614 121.223 -0.019 0.000 2.551 432 L HA -0.028 4.304 4.340 -0.014 0.000 0.228 432 L C 1.026 177.884 176.870 -0.020 0.000 1.153 432 L CA 0.392 55.220 54.840 -0.019 0.000 0.851 432 L CB -0.668 41.377 42.059 -0.022 0.000 0.959 432 L HN 0.182 nan 8.230 nan 0.000 0.451 433 V N 0.000 119.902 119.914 -0.020 0.000 2.409 433 V HA 0.000 4.112 4.120 -0.014 0.000 0.244 433 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 433 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 433 V HN 0.000 nan 8.190 nan 0.000 0.556