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 1hfu_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIVNSVDTMT LTNANVSPDG FTRAGILVNG VHGPLIRGGK NDNFELNVVN DATA SEQUENCE DLDNPTMLRP TSIHWHGLFQ RGTNWADGAD GVNQcPISPG HAFLYKFTPA DATA SEQUENCE GHAGTFWYHS HFGTQYcDGL RGPMVIYDDN DPHAALYDED DENTIITLAD DATA SEQUENCE WYHIPAPSIQ XXXQPDATLI NGKGRYVGGP AAELSIVNVE QGKKYRMRLI DATA SEQUENCE SLScDPNWQF SIDGHELTII EVDGELTEPH TVDRLQIFTG QRYSFVLDAN DATA SEQUENCE QPVDNYWIRA QPNKGRNGLA GTFANGVNSA ILRYAGAANA DPTTSANPNP DATA SEQUENCE AQLNEADLHA LIDPAAPGIP TPGAADVNLR FQLGFSGGRF TINGTAYESP DATA SEQUENCE SVPTLLQIMS GAQSANDLLP AGSVYELPRN QVVELVVPAG VLGGPHPFHL DATA SEQUENCE HGHAFSVVRS AGSSTYNFVN PVKRDVVSLG VTGDEVTIRF VTDNPGPWFF DATA SEQUENCE HCHIEFHLMN GLAIVFAEDM ANTVDANNPP VEWAQLcEIY DDLPPEATSI DATA SEQUENCE QTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.637 177.584 0.089 0.000 1.274 1 A CA 0.000 52.084 52.037 0.079 0.000 0.836 1 A CB 0.000 19.038 19.000 0.064 0.000 0.831 2 I N 1.536 122.151 120.570 0.076 0.000 2.465 2 I HA 0.485 4.658 4.170 0.004 0.000 0.291 2 I C -0.815 175.346 176.117 0.074 0.000 1.014 2 I CA -1.121 60.229 61.300 0.084 0.000 1.093 2 I CB 2.170 40.214 38.000 0.073 0.000 1.267 2 I HN -0.077 nan 8.210 nan 0.000 0.431 3 V N 6.427 126.392 119.914 0.086 0.000 2.407 3 V HA 0.316 4.438 4.120 0.004 0.000 0.278 3 V C 0.256 176.379 176.094 0.047 0.000 1.037 3 V CA -0.741 61.595 62.300 0.059 0.000 0.900 3 V CB 1.223 33.075 31.823 0.048 0.000 0.983 3 V HN 0.659 nan 8.190 nan 0.000 0.459 4 N N 2.183 120.884 118.700 0.003 0.000 2.434 4 N HA 0.148 4.890 4.740 0.004 0.000 0.266 4 N C 1.502 176.936 175.510 -0.128 0.000 1.223 4 N CA 0.303 53.324 53.050 -0.049 0.000 0.972 4 N CB 1.327 39.773 38.487 -0.068 0.000 1.207 4 N HN 0.733 nan 8.380 nan 0.000 0.525 5 S N -0.832 114.679 115.700 -0.315 0.000 2.399 5 S HA -0.050 4.423 4.470 0.004 0.000 0.231 5 S C 0.799 175.097 174.600 -0.503 0.000 1.022 5 S CA 0.526 58.271 58.200 -0.759 0.000 0.983 5 S CB -0.028 62.295 63.200 -1.460 0.000 0.803 5 S HN 0.291 nan 8.310 nan 0.000 0.480 6 V N 2.458 122.186 119.914 -0.310 0.000 2.334 6 V HA 0.639 4.761 4.120 0.004 0.000 0.281 6 V C -0.584 175.440 176.094 -0.118 0.000 1.016 6 V CA -0.454 61.726 62.300 -0.200 0.000 0.832 6 V CB 1.114 32.834 31.823 -0.171 0.000 0.999 6 V HN 0.401 nan 8.190 nan 0.000 0.439 7 D N 2.091 122.446 120.400 -0.075 0.000 2.792 7 D HA 0.361 5.003 4.640 0.004 0.000 0.335 7 D C -0.954 175.349 176.300 0.005 0.000 1.353 7 D CA -0.262 53.720 54.000 -0.030 0.000 0.839 7 D CB 2.578 43.366 40.800 -0.020 0.000 1.396 7 D HN 0.362 nan 8.370 nan 0.000 0.479 8 T N 1.066 115.636 114.554 0.027 0.000 2.823 8 T HA 0.576 4.928 4.350 0.004 0.000 0.279 8 T C -0.126 174.618 174.700 0.074 0.000 0.998 8 T CA -0.436 61.698 62.100 0.057 0.000 0.994 8 T CB 0.898 69.796 68.868 0.051 0.000 0.960 8 T HN 0.157 nan 8.240 nan 0.000 0.448 9 M N 3.001 122.666 119.600 0.109 0.000 2.023 9 M HA 0.275 4.757 4.480 0.004 0.000 0.325 9 M C -0.343 176.036 176.300 0.131 0.000 0.963 9 M CA -0.508 54.861 55.300 0.115 0.000 0.928 9 M CB 1.187 33.865 32.600 0.130 0.000 1.429 9 M HN 0.447 nan 8.290 nan 0.000 0.404 10 T N 4.174 118.795 114.554 0.112 0.000 2.728 10 T HA 0.441 4.793 4.350 0.004 0.000 0.296 10 T C -0.366 174.405 174.700 0.118 0.000 0.940 10 T CA -0.511 61.655 62.100 0.110 0.000 1.013 10 T CB 0.486 69.406 68.868 0.088 0.000 0.912 10 T HN 0.229 nan 8.240 nan 0.000 0.484 11 L N 5.025 126.325 121.223 0.128 0.000 2.264 11 L HA 0.526 4.868 4.340 0.004 0.000 0.289 11 L C 0.986 177.923 176.870 0.113 0.000 1.044 11 L CA -0.116 54.803 54.840 0.133 0.000 0.807 11 L CB 0.609 42.758 42.059 0.150 0.000 1.192 11 L HN 0.838 nan 8.230 nan 0.000 0.425 12 T N 0.021 114.638 114.554 0.104 0.000 2.887 12 T HA 0.639 4.991 4.350 0.004 0.000 0.292 12 T C -0.237 174.516 174.700 0.088 0.000 1.087 12 T CA -1.032 61.122 62.100 0.089 0.000 1.009 12 T CB 1.423 70.337 68.868 0.076 0.000 1.203 12 T HN 0.363 nan 8.240 nan 0.000 0.518 13 N N -0.220 118.528 118.700 0.080 0.000 2.487 13 N HA 0.748 5.490 4.740 0.004 0.000 0.292 13 N C -0.730 174.821 175.510 0.068 0.000 1.108 13 N CA -0.589 52.508 53.050 0.078 0.000 0.956 13 N CB 1.679 40.213 38.487 0.078 0.000 1.176 13 N HN 1.066 nan 8.380 nan 0.000 0.484 14 A N 1.120 123.981 122.820 0.068 0.000 2.599 14 A HA 0.507 4.829 4.320 0.004 0.000 0.290 14 A C -1.562 176.065 177.584 0.071 0.000 1.101 14 A CA -0.947 51.127 52.037 0.062 0.000 0.674 14 A CB 1.052 20.086 19.000 0.056 0.000 1.277 14 A HN 0.619 nan 8.150 nan 0.000 0.419 15 N N 0.404 119.142 118.700 0.063 0.000 2.455 15 N HA 0.515 5.257 4.740 0.004 0.000 0.280 15 N C -0.472 175.088 175.510 0.084 0.000 1.055 15 N CA 0.021 53.114 53.050 0.071 0.000 0.961 15 N CB 1.812 40.323 38.487 0.041 0.000 1.121 15 N HN 0.961 nan 8.380 nan 0.000 0.476 16 V N -1.003 118.989 119.914 0.130 0.000 3.040 16 V HA 0.730 4.852 4.120 0.004 0.000 0.312 16 V C -0.097 176.100 176.094 0.173 0.000 1.115 16 V CA -0.778 61.610 62.300 0.147 0.000 0.998 16 V CB 2.136 34.061 31.823 0.171 0.000 1.042 16 V HN 0.548 nan 8.190 nan 0.000 0.433 17 S N 2.612 118.384 115.700 0.119 0.000 2.539 17 S HA 0.380 4.852 4.470 0.004 0.000 0.185 17 S C -1.912 172.721 174.600 0.054 0.000 1.181 17 S CA -0.298 57.972 58.200 0.117 0.000 1.216 17 S CB 0.919 64.162 63.200 0.072 0.000 1.476 17 S HN 0.869 nan 8.310 nan 0.000 0.395 18 P HA -0.067 nan 4.420 nan 0.000 0.222 18 P C 0.377 177.626 177.300 -0.084 0.000 1.147 18 P CA 1.345 64.321 63.100 -0.206 0.000 0.790 18 P CB -0.017 31.326 31.700 -0.594 0.000 0.780 19 D N -2.692 117.751 120.400 0.073 0.000 2.479 19 D HA 0.213 4.855 4.640 0.004 0.000 0.218 19 D C 1.281 177.790 176.300 0.349 0.000 1.177 19 D CA 0.018 54.165 54.000 0.245 0.000 0.830 19 D CB -0.342 40.728 40.800 0.449 0.000 1.014 19 D HN 0.202 nan 8.370 nan 0.000 0.503 20 G N 0.170 109.120 108.800 0.249 0.000 2.176 20 G HA2 -0.259 3.704 3.960 0.004 0.000 0.253 20 G HA3 -0.259 3.704 3.960 0.004 0.000 0.253 20 G C -0.208 174.877 174.900 0.308 0.000 0.979 20 G CA 0.085 45.325 45.100 0.232 0.000 0.641 20 G HN 0.429 nan 8.290 nan 0.000 0.530 21 F N 2.636 122.693 119.950 0.179 0.000 2.436 21 F HA 0.683 5.212 4.527 0.004 0.000 0.340 21 F C 0.391 176.187 175.800 -0.007 0.000 1.113 21 F CA -0.388 57.596 58.000 -0.027 0.000 1.022 21 F CB 1.753 40.402 39.000 -0.586 0.000 1.128 21 F HN -0.015 nan 8.300 nan 0.000 0.466 22 T N 6.747 120.943 114.554 -0.596 0.000 2.845 22 T HA 0.583 4.935 4.350 0.004 0.000 0.288 22 T C -0.579 173.956 174.700 -0.275 0.000 0.980 22 T CA -0.554 61.378 62.100 -0.280 0.000 1.071 22 T CB 0.841 69.564 68.868 -0.241 0.000 0.941 22 T HN 0.786 nan 8.240 nan 0.000 0.487 23 R N 0.571 121.112 120.500 0.068 0.000 2.752 23 R HA 0.817 5.159 4.340 0.004 0.000 0.271 23 R C -1.392 175.008 176.300 0.166 0.000 1.026 23 R CA -1.271 54.920 56.100 0.152 0.000 0.901 23 R CB 1.079 31.561 30.300 0.303 0.000 1.243 23 R HN 0.561 nan 8.270 nan 0.000 0.463 24 A N 0.470 123.370 122.820 0.133 0.000 2.363 24 A HA 0.722 5.044 4.320 0.004 0.000 0.270 24 A C 0.057 177.735 177.584 0.156 0.000 1.121 24 A CA 0.291 52.401 52.037 0.121 0.000 0.800 24 A CB 0.704 19.755 19.000 0.084 0.000 1.052 24 A HN 0.915 nan 8.150 nan 0.000 0.493 25 G N 0.055 108.949 108.800 0.158 0.000 3.058 25 G HA2 0.619 4.581 3.960 0.004 0.000 0.282 25 G HA3 0.619 4.581 3.960 0.004 0.000 0.282 25 G C -1.118 173.852 174.900 0.116 0.000 1.248 25 G CA -0.631 44.578 45.100 0.182 0.000 0.822 25 G HN 0.688 nan 8.290 nan 0.000 0.579 26 I N 0.178 120.804 120.570 0.093 0.000 2.545 26 I HA 0.444 4.616 4.170 0.004 0.000 0.292 26 I C -1.252 174.888 176.117 0.039 0.000 1.040 26 I CA -0.621 60.732 61.300 0.090 0.000 1.068 26 I CB 2.189 40.274 38.000 0.142 0.000 1.251 26 I HN 0.099 nan 8.210 nan 0.000 0.424 27 L N 6.297 127.561 121.223 0.069 0.000 2.319 27 L HA 0.629 4.971 4.340 0.004 0.000 0.267 27 L C -0.536 176.412 176.870 0.130 0.000 1.011 27 L CA -0.864 54.023 54.840 0.079 0.000 0.818 27 L CB 2.201 44.302 42.059 0.070 0.000 1.316 27 L HN 0.185 nan 8.230 nan 0.000 0.432 28 V N 2.911 122.920 119.914 0.157 0.000 2.376 28 V HA 0.397 4.519 4.120 0.004 0.000 0.287 28 V C -0.320 175.855 176.094 0.135 0.000 1.015 28 V CA -0.818 61.582 62.300 0.166 0.000 0.834 28 V CB 1.204 33.158 31.823 0.220 0.000 1.001 28 V HN 0.811 nan 8.190 nan 0.000 0.428 29 N N 3.921 122.687 118.700 0.110 0.000 2.735 29 N HA -0.204 4.538 4.740 0.004 0.000 0.248 29 N C 1.188 176.750 175.510 0.086 0.000 1.083 29 N CA 1.575 54.679 53.050 0.090 0.000 0.703 29 N CB -1.150 37.388 38.487 0.084 0.000 1.005 29 N HN 1.556 nan 8.380 nan 0.000 0.550 30 G N -2.929 105.923 108.800 0.087 0.000 2.155 30 G HA2 -0.290 3.672 3.960 0.004 0.000 0.257 30 G HA3 -0.290 3.672 3.960 0.004 0.000 0.257 30 G C -0.017 174.936 174.900 0.089 0.000 0.983 30 G CA 0.526 45.673 45.100 0.079 0.000 0.676 30 G HN 0.567 nan 8.290 nan 0.000 0.528 31 V N -0.686 119.295 119.914 0.112 0.000 2.823 31 V HA 0.504 4.626 4.120 0.004 0.000 0.312 31 V C 0.159 176.367 176.094 0.190 0.000 1.072 31 V CA -1.024 61.358 62.300 0.138 0.000 0.937 31 V CB 2.082 33.985 31.823 0.133 0.000 1.013 31 V HN 0.399 nan 8.190 nan 0.000 0.430 32 H N 2.654 121.778 119.070 0.089 0.000 2.911 32 H HA 0.444 5.002 4.556 0.004 0.000 0.273 32 H C 1.028 176.424 175.328 0.114 0.000 1.157 32 H CA 0.576 56.681 56.048 0.095 0.000 1.402 32 H CB 0.258 30.037 29.762 0.029 0.000 1.463 32 H HN 1.076 nan 8.280 nan 0.000 0.475 33 G N 5.703 114.748 108.800 0.409 0.000 2.372 33 G HA2 -0.226 3.736 3.960 0.004 0.000 0.297 33 G HA3 -0.226 3.736 3.960 0.004 0.000 0.297 33 G C -2.334 172.746 174.900 0.300 0.000 1.005 33 G CA -0.351 44.956 45.100 0.344 0.000 1.173 33 G HN 0.569 nan 8.290 nan 0.000 0.511 34 P HA 0.258 nan 4.420 nan 0.000 0.268 34 P C 0.470 177.968 177.300 0.331 0.000 1.208 34 P CA -0.536 62.719 63.100 0.258 0.000 0.777 34 P CB 1.014 32.842 31.700 0.212 0.000 0.875 35 L N 3.026 124.393 121.223 0.240 0.000 2.380 35 L HA 0.262 4.604 4.340 0.004 0.000 0.273 35 L C -0.194 176.825 176.870 0.249 0.000 1.138 35 L CA -0.011 54.982 54.840 0.255 0.000 0.832 35 L CB -0.330 41.831 42.059 0.170 0.000 1.124 35 L HN 0.207 nan 8.230 nan 0.000 0.454 36 I N 5.721 126.468 120.570 0.295 0.000 2.359 36 I HA 0.500 4.672 4.170 0.004 0.000 0.294 36 I C -0.122 176.144 176.117 0.249 0.000 0.987 36 I CA -0.619 60.819 61.300 0.230 0.000 1.225 36 I CB 1.054 39.190 38.000 0.225 0.000 1.366 36 I HN 0.725 nan 8.210 nan 0.000 0.466 37 R N 4.338 124.972 120.500 0.222 0.000 2.771 37 R HA 0.946 5.288 4.340 0.004 0.000 0.274 37 R C -0.796 175.633 176.300 0.215 0.000 0.987 37 R CA -0.886 55.363 56.100 0.248 0.000 0.908 37 R CB 2.278 32.750 30.300 0.287 0.000 1.213 37 R HN 0.713 nan 8.270 nan 0.000 0.468 38 G N -0.174 108.787 108.800 0.268 0.000 2.554 38 G HA2 0.561 4.523 3.960 0.004 0.000 0.306 38 G HA3 0.561 4.523 3.960 0.004 0.000 0.306 38 G C -1.412 173.622 174.900 0.222 0.000 1.320 38 G CA -0.571 44.604 45.100 0.124 0.000 0.800 38 G HN 0.729 nan 8.290 nan 0.000 0.481 39 G N -1.166 107.708 108.800 0.123 0.000 2.471 39 G HA2 0.514 4.477 3.960 0.004 0.000 0.332 39 G HA3 0.514 4.477 3.960 0.004 0.000 0.332 39 G C 0.877 175.875 174.900 0.163 0.000 1.176 39 G CA 0.115 45.306 45.100 0.152 0.000 0.949 39 G HN 0.885 nan 8.290 nan 0.000 0.488 40 K N -0.660 119.826 120.400 0.144 0.000 2.280 40 K HA -0.034 4.288 4.320 0.004 0.000 0.202 40 K C 0.687 177.355 176.600 0.113 0.000 1.047 40 K CA 1.167 57.531 56.287 0.129 0.000 0.942 40 K CB 0.088 32.659 32.500 0.118 0.000 0.739 40 K HN 0.275 nan 8.250 nan 0.000 0.457 41 N N 1.201 119.954 118.700 0.090 0.000 2.230 41 N HA 0.042 4.784 4.740 0.004 0.000 0.202 41 N C -0.781 174.758 175.510 0.049 0.000 1.119 41 N CA 0.003 53.092 53.050 0.066 0.000 0.851 41 N CB 0.258 38.771 38.487 0.044 0.000 0.990 41 N HN 0.207 nan 8.380 nan 0.000 0.497 42 D N 1.208 121.641 120.400 0.054 0.000 2.423 42 D HA 0.053 4.695 4.640 0.004 0.000 0.238 42 D C 0.222 176.519 176.300 -0.005 0.000 1.142 42 D CA 0.469 54.436 54.000 -0.055 0.000 0.884 42 D CB 0.503 41.133 40.800 -0.283 0.000 1.199 42 D HN -0.089 nan 8.370 nan 0.000 0.438 43 N N 2.142 120.779 118.700 -0.105 0.000 2.558 43 N HA 0.125 4.867 4.740 0.004 0.000 0.233 43 N C -0.607 174.779 175.510 -0.208 0.000 1.038 43 N CA -0.304 52.692 53.050 -0.090 0.000 0.934 43 N CB 0.058 38.499 38.487 -0.077 0.000 1.175 43 N HN 0.160 nan 8.380 nan 0.000 0.512 44 F N 1.053 120.718 119.950 -0.474 0.000 2.471 44 F HA 0.128 4.657 4.527 0.004 0.000 0.353 44 F C 1.133 176.565 175.800 -0.614 0.000 1.113 44 F CA 0.033 57.635 58.000 -0.664 0.000 1.262 44 F CB 0.791 39.035 39.000 -1.260 0.000 1.146 44 F HN 0.199 nan 8.300 nan 0.000 0.578 45 E N 4.641 124.671 120.200 -0.283 0.000 2.460 45 E HA 0.312 4.665 4.350 0.004 0.000 0.249 45 E C -1.322 175.198 176.600 -0.133 0.000 0.962 45 E CA -0.315 55.972 56.400 -0.188 0.000 0.787 45 E CB 1.395 31.018 29.700 -0.128 0.000 1.341 45 E HN 0.446 nan 8.360 nan 0.000 0.407 46 L N 2.924 124.090 121.223 -0.096 0.000 2.295 46 L HA 0.371 4.714 4.340 0.004 0.000 0.281 46 L C -0.199 176.763 176.870 0.154 0.000 1.018 46 L CA -0.882 53.965 54.840 0.011 0.000 0.841 46 L CB 0.901 42.927 42.059 -0.056 0.000 1.218 46 L HN 0.305 nan 8.230 nan 0.000 0.424 47 N N 2.665 121.431 118.700 0.110 0.000 2.401 47 N HA 0.183 4.925 4.740 0.004 0.000 0.255 47 N C -0.777 174.862 175.510 0.216 0.000 1.110 47 N CA -0.181 52.951 53.050 0.137 0.000 0.949 47 N CB 1.175 39.704 38.487 0.071 0.000 1.110 47 N HN 0.210 nan 8.380 nan 0.000 0.490 48 V N 4.439 124.557 119.914 0.339 0.000 2.368 48 V HA 0.207 4.329 4.120 0.004 0.000 0.266 48 V C 0.023 176.283 176.094 0.277 0.000 1.045 48 V CA -0.684 61.830 62.300 0.358 0.000 0.899 48 V CB 0.990 33.145 31.823 0.554 0.000 1.006 48 V HN 0.322 nan 8.190 nan 0.000 0.470 49 V N 5.101 125.137 119.914 0.203 0.000 2.333 49 V HA 0.304 4.426 4.120 0.004 0.000 0.274 49 V C 0.364 176.553 176.094 0.157 0.000 1.028 49 V CA -0.616 61.782 62.300 0.164 0.000 0.851 49 V CB 1.440 33.336 31.823 0.121 0.000 1.000 49 V HN 0.841 nan 8.190 nan 0.000 0.456 50 N N 3.994 122.791 118.700 0.162 0.000 2.439 50 N HA 0.176 4.919 4.740 0.004 0.000 0.243 50 N C -0.118 175.463 175.510 0.119 0.000 1.088 50 N CA -0.173 52.964 53.050 0.145 0.000 0.940 50 N CB 0.982 39.556 38.487 0.146 0.000 1.180 50 N HN 0.527 nan 8.380 nan 0.000 0.505 51 D N 2.959 123.422 120.400 0.106 0.000 2.501 51 D HA 0.159 4.801 4.640 0.004 0.000 0.226 51 D C 0.198 176.550 176.300 0.087 0.000 1.198 51 D CA -0.121 53.930 54.000 0.086 0.000 0.830 51 D CB 0.270 41.114 40.800 0.074 0.000 1.014 51 D HN 0.460 nan 8.370 nan 0.000 0.496 52 L N 1.558 122.840 121.223 0.099 0.000 2.455 52 L HA 0.091 4.433 4.340 0.004 0.000 0.272 52 L C 1.066 177.989 176.870 0.088 0.000 1.174 52 L CA 0.326 55.224 54.840 0.098 0.000 0.869 52 L CB 0.636 42.763 42.059 0.113 0.000 1.130 52 L HN -0.018 nan 8.230 nan 0.000 0.474 53 D N -0.139 120.308 120.400 0.079 0.000 2.497 53 D HA -0.031 4.611 4.640 0.004 0.000 0.256 53 D C 0.211 176.550 176.300 0.066 0.000 1.273 53 D CA -0.310 53.732 54.000 0.069 0.000 0.812 53 D CB -0.045 40.790 40.800 0.058 0.000 1.190 53 D HN 0.261 nan 8.370 nan 0.000 0.524 54 N N 2.274 121.016 118.700 0.071 0.000 2.406 54 N HA 0.130 4.872 4.740 0.004 0.000 0.251 54 N C -1.620 173.931 175.510 0.069 0.000 1.069 54 N CA -1.360 51.729 53.050 0.066 0.000 0.947 54 N CB 1.893 40.421 38.487 0.068 0.000 1.111 54 N HN -0.089 nan 8.380 nan 0.000 0.497 55 P HA -0.036 nan 4.420 nan 0.000 0.237 55 P C 0.835 178.169 177.300 0.056 0.000 1.178 55 P CA 0.828 63.964 63.100 0.060 0.000 0.766 55 P CB -0.024 31.706 31.700 0.049 0.000 0.876 56 T N -4.789 109.797 114.554 0.053 0.000 3.148 56 T HA 0.202 4.555 4.350 0.004 0.000 0.253 56 T C 0.815 175.544 174.700 0.048 0.000 1.134 56 T CA 0.177 62.304 62.100 0.045 0.000 1.051 56 T CB -0.368 68.525 68.868 0.041 0.000 0.959 56 T HN 0.000 nan 8.240 nan 0.000 0.525 57 M N 0.533 120.172 119.600 0.064 0.000 2.690 57 M HA 0.509 4.991 4.480 0.004 0.000 0.302 57 M C -0.709 175.654 176.300 0.104 0.000 1.234 57 M CA -1.099 54.245 55.300 0.074 0.000 0.853 57 M CB 2.445 35.095 32.600 0.083 0.000 1.748 57 M HN -0.055 nan 8.290 nan 0.000 0.469 58 L N 1.248 122.548 121.223 0.128 0.000 2.485 58 L HA 0.101 4.444 4.340 0.004 0.000 0.275 58 L C 1.097 178.103 176.870 0.226 0.000 1.207 58 L CA 0.403 55.370 54.840 0.213 0.000 0.855 58 L CB 0.277 42.503 42.059 0.277 0.000 1.114 58 L HN 0.755 nan 8.230 nan 0.000 0.485 59 R N 1.563 122.201 120.500 0.230 0.000 2.121 59 R HA 0.171 4.513 4.340 0.004 0.000 0.206 59 R C -1.812 174.562 176.300 0.124 0.000 1.094 59 R CA -0.315 55.883 56.100 0.164 0.000 1.055 59 R CB -0.742 29.636 30.300 0.130 0.000 0.964 59 R HN 0.444 nan 8.270 nan 0.000 0.473 60 P HA 0.029 nan 4.420 nan 0.000 0.271 60 P C -0.280 176.845 177.300 -0.292 0.000 1.233 60 P CA 0.526 63.528 63.100 -0.164 0.000 0.789 60 P CB 0.902 32.395 31.700 -0.345 0.000 0.951 61 T N -0.628 113.739 114.554 -0.313 0.000 2.762 61 T HA 0.631 4.983 4.350 0.004 0.000 0.301 61 T C -1.678 172.961 174.700 -0.101 0.000 1.299 61 T CA -0.453 61.574 62.100 -0.122 0.000 1.005 61 T CB 0.820 69.736 68.868 0.081 0.000 1.377 61 T HN 0.295 nan 8.240 nan 0.000 0.504 62 S N 1.315 117.062 115.700 0.079 0.000 2.563 62 S HA 0.622 5.094 4.470 0.004 0.000 0.279 62 S C -1.863 172.796 174.600 0.097 0.000 1.155 62 S CA -0.720 57.564 58.200 0.140 0.000 0.928 62 S CB 0.617 63.888 63.200 0.120 0.000 1.107 62 S HN 0.567 nan 8.310 nan 0.000 0.462 63 I N 4.642 125.194 120.570 -0.030 0.000 2.354 63 I HA 0.367 4.539 4.170 0.004 0.000 0.292 63 I C 0.073 175.670 176.117 -0.868 0.000 0.989 63 I CA -0.486 60.502 61.300 -0.521 0.000 1.188 63 I CB 1.129 38.591 38.000 -0.896 0.000 1.342 63 I HN 0.804 nan 8.210 nan 0.000 0.457 64 H N 5.966 124.498 119.070 -0.898 0.000 2.473 64 H HA 0.378 4.936 4.556 0.004 0.000 0.327 64 H C -1.404 173.243 175.328 -1.136 0.000 1.105 64 H CA -0.517 55.006 56.048 -0.875 0.000 1.280 64 H CB 0.790 30.267 29.762 -0.475 0.000 1.450 64 H HN 0.416 nan 8.280 nan 0.000 0.492 65 W N 5.239 126.054 121.300 -0.809 0.000 2.175 65 W HA 0.196 4.858 4.660 0.003 0.000 0.350 65 W C -0.115 175.815 176.519 -0.983 0.000 0.877 65 W CA -0.931 55.950 57.345 -0.774 0.000 1.544 65 W CB -0.372 28.583 29.460 -0.841 0.000 1.585 65 W HN 0.686 nan 8.180 nan 0.000 0.347 66 H N 1.716 120.172 119.070 -1.023 0.000 3.091 66 H HA 0.335 4.893 4.556 0.003 0.000 0.289 66 H C 1.411 176.601 175.328 -0.230 0.000 0.995 66 H CA 1.712 57.266 56.048 -0.824 0.000 1.461 66 H CB 0.389 29.669 29.762 -0.803 0.000 1.510 66 H HN 0.773 nan 8.280 nan 0.000 0.546 67 G N 4.002 112.746 108.800 -0.094 0.000 2.253 67 G HA2 -0.227 3.735 3.960 0.004 0.000 0.209 67 G HA3 -0.227 3.735 3.960 0.004 0.000 0.209 67 G C -0.004 174.709 174.900 -0.313 0.000 0.997 67 G CA -0.043 45.147 45.100 0.150 0.000 0.640 67 G HN 0.612 nan 8.290 nan 0.000 0.496 68 L N 1.382 122.240 121.223 -0.609 0.000 2.331 68 L HA 0.466 4.808 4.340 0.004 0.000 0.278 68 L C 1.571 178.238 176.870 -0.337 0.000 1.106 68 L CA -0.944 53.474 54.840 -0.703 0.000 0.824 68 L CB 0.360 41.940 42.059 -0.800 0.000 1.142 68 L HN -0.005 nan 8.230 nan 0.000 0.443 69 F N 0.268 120.076 119.950 -0.236 0.000 2.456 69 F HA -0.042 4.487 4.527 0.004 0.000 0.298 69 F C 1.318 176.924 175.800 -0.324 0.000 1.104 69 F CA -0.179 57.613 58.000 -0.347 0.000 1.435 69 F CB -0.467 38.342 39.000 -0.318 0.000 1.078 69 F HN 0.504 nan 8.300 nan 0.000 0.546 70 Q N 0.298 120.075 119.800 -0.037 0.000 2.475 70 Q HA -0.255 4.087 4.340 0.004 0.000 0.280 70 Q C -0.150 175.940 176.000 0.150 0.000 1.234 70 Q CA 0.423 56.239 55.803 0.022 0.000 0.873 70 Q CB -1.905 26.907 28.738 0.122 0.000 1.256 70 Q HN 0.478 nan 8.270 nan 0.000 0.475 71 R N 0.056 120.622 120.500 0.110 0.000 2.458 71 R HA 0.204 4.546 4.340 0.004 0.000 0.303 71 R C 1.503 177.878 176.300 0.126 0.000 1.013 71 R CA 1.065 57.246 56.100 0.136 0.000 1.026 71 R CB 0.108 30.468 30.300 0.099 0.000 0.948 71 R HN 0.505 nan 8.270 nan 0.000 0.417 72 G N 1.894 110.784 108.800 0.149 0.000 2.184 72 G HA2 -0.321 3.642 3.960 0.004 0.000 0.264 72 G HA3 -0.321 3.642 3.960 0.004 0.000 0.264 72 G C 0.447 175.406 174.900 0.099 0.000 0.975 72 G CA 0.707 45.880 45.100 0.120 0.000 0.642 72 G HN 0.673 nan 8.290 nan 0.000 0.536 73 T N -2.518 112.038 114.554 0.004 0.000 3.633 73 T HA 0.377 4.729 4.350 0.004 0.000 0.278 73 T C 0.995 175.446 174.700 -0.415 0.000 0.991 73 T CA 0.551 62.455 62.100 -0.328 0.000 1.036 73 T CB 0.330 68.965 68.868 -0.389 0.000 1.148 73 T HN 0.175 nan 8.240 nan 0.000 0.501 74 N N 2.007 120.602 118.700 -0.175 0.000 2.205 74 N HA -0.119 4.623 4.740 0.004 0.000 0.186 74 N C 1.650 177.029 175.510 -0.217 0.000 1.015 74 N CA 1.830 54.743 53.050 -0.228 0.000 0.862 74 N CB -0.116 38.113 38.487 -0.429 0.000 0.986 74 N HN 0.869 nan 8.380 nan 0.000 0.429 75 W N 0.169 121.325 121.300 -0.241 0.000 2.538 75 W HA 0.128 4.790 4.660 0.004 0.000 0.254 75 W C 1.121 177.700 176.519 0.099 0.000 1.249 75 W CA 0.527 57.668 57.345 -0.340 0.000 1.253 75 W CB -0.717 28.114 29.460 -1.049 0.000 1.130 75 W HN 0.049 nan 8.180 nan 0.000 0.618 76 A N 0.566 123.147 122.820 -0.399 0.000 2.348 76 A HA 0.015 4.337 4.320 0.004 0.000 0.224 76 A C 1.476 179.272 177.584 0.353 0.000 1.227 76 A CA 0.815 52.885 52.037 0.055 0.000 0.885 76 A CB -0.585 18.153 19.000 -0.438 0.000 0.933 76 A HN 0.132 nan 8.150 nan 0.000 0.506 77 D N -0.482 120.050 120.400 0.220 0.000 2.264 77 D HA 0.086 4.728 4.640 0.004 0.000 0.208 77 D C 1.585 178.075 176.300 0.317 0.000 0.966 77 D CA 1.867 56.054 54.000 0.311 0.000 0.864 77 D CB -0.029 41.000 40.800 0.381 0.000 0.933 77 D HN 0.543 nan 8.370 nan 0.000 0.499 78 G N -0.832 108.135 108.800 0.280 0.000 2.195 78 G HA2 -0.216 3.746 3.960 0.004 0.000 0.246 78 G HA3 -0.216 3.746 3.960 0.004 0.000 0.246 78 G C 0.458 175.373 174.900 0.024 0.000 0.984 78 G CA 0.313 45.525 45.100 0.186 0.000 0.633 78 G HN 0.698 nan 8.290 nan 0.000 0.525 79 A N 0.747 123.460 122.820 -0.178 0.000 2.395 79 A HA 0.542 4.864 4.320 0.004 0.000 0.286 79 A C 0.362 177.856 177.584 -0.150 0.000 1.193 79 A CA 0.666 52.447 52.037 -0.427 0.000 0.852 79 A CB 0.161 18.727 19.000 -0.723 0.000 1.118 79 A HN 0.745 nan 8.150 nan 0.000 0.524 80 D N 2.453 122.872 120.400 0.032 0.000 2.488 80 D HA 0.330 4.972 4.640 0.004 0.000 0.238 80 D C 1.437 177.731 176.300 -0.009 0.000 1.138 80 D CA 1.920 55.951 54.000 0.052 0.000 0.873 80 D CB 0.341 41.300 40.800 0.265 0.000 1.183 80 D HN 1.168 nan 8.370 nan 0.000 0.458 81 G N 1.359 110.124 108.800 -0.058 0.000 2.253 81 G HA2 -0.271 3.691 3.960 0.004 0.000 0.251 81 G HA3 -0.271 3.691 3.960 0.004 0.000 0.251 81 G C 0.840 175.647 174.900 -0.155 0.000 0.998 81 G CA 0.405 45.466 45.100 -0.064 0.000 0.621 81 G HN 0.581 nan 8.290 nan 0.000 0.524 82 V N -0.220 119.541 119.914 -0.255 0.000 2.950 82 V HA 0.177 4.299 4.120 0.004 0.000 0.231 82 V C 1.945 177.939 176.094 -0.167 0.000 1.205 82 V CA 1.931 64.031 62.300 -0.332 0.000 1.239 82 V CB -0.087 31.319 31.823 -0.695 0.000 1.050 82 V HN 0.329 nan 8.190 nan 0.000 0.498 83 N N 0.332 118.969 118.700 -0.105 0.000 2.368 83 N HA 0.155 4.897 4.740 0.004 0.000 0.178 83 N C 0.381 176.105 175.510 0.357 0.000 1.076 83 N CA 0.086 53.185 53.050 0.082 0.000 0.889 83 N CB 0.433 38.950 38.487 0.050 0.000 1.040 83 N HN 0.719 nan 8.380 nan 0.000 0.463 84 Q N -1.264 118.635 119.800 0.164 0.000 2.630 84 Q HA 0.502 4.845 4.340 0.004 0.000 0.295 84 Q C -1.538 174.340 176.000 -0.204 0.000 0.944 84 Q CA -0.988 54.834 55.803 0.033 0.000 0.766 84 Q CB 0.988 29.766 28.738 0.066 0.000 1.471 84 Q HN -0.104 nan 8.270 nan 0.000 0.416 85 c N 1.352 119.714 118.600 -0.397 0.000 2.362 85 c HA 0.621 5.193 4.570 0.004 0.000 0.363 85 c C -2.118 171.668 174.090 -0.507 0.000 1.220 85 c CA -0.914 55.149 56.329 -0.444 0.000 2.379 85 c CB 0.313 42.558 42.510 -0.442 0.000 2.351 85 c HN 0.663 nan 8.230 nan 0.000 0.582 86 P HA 0.220 nan 4.420 nan 0.000 0.272 86 P C -0.804 176.212 177.300 -0.473 0.000 1.223 86 P CA 0.150 62.841 63.100 -0.682 0.000 0.784 86 P CB 0.208 31.207 31.700 -1.169 0.000 0.923 87 I N 1.081 121.487 120.570 -0.274 0.000 2.396 87 I HA 0.070 4.243 4.170 0.004 0.000 0.289 87 I C 0.747 176.823 176.117 -0.069 0.000 1.056 87 I CA 0.196 61.428 61.300 -0.113 0.000 1.365 87 I CB 0.246 38.282 38.000 0.060 0.000 1.407 87 I HN 0.229 nan 8.210 nan 0.000 0.509 88 S N 7.609 123.289 115.700 -0.034 0.000 2.601 88 S HA 0.292 4.764 4.470 0.004 0.000 0.271 88 S C -2.279 172.430 174.600 0.183 0.000 1.305 88 S CA -1.099 57.133 58.200 0.053 0.000 1.022 88 S CB 0.750 63.927 63.200 -0.038 0.000 0.940 88 S HN 0.383 nan 8.310 nan 0.000 0.525 89 P HA 0.148 nan 4.420 nan 0.000 0.261 89 P C 0.769 178.191 177.300 0.203 0.000 1.183 89 P CA 1.010 64.205 63.100 0.159 0.000 0.761 89 P CB -0.009 31.762 31.700 0.117 0.000 0.785 90 G N 1.240 110.116 108.800 0.126 0.000 2.157 90 G HA2 -0.191 3.771 3.960 0.004 0.000 0.248 90 G HA3 -0.191 3.771 3.960 0.004 0.000 0.248 90 G C -0.086 174.722 174.900 -0.153 0.000 0.979 90 G CA -0.163 44.935 45.100 -0.003 0.000 0.650 90 G HN 0.654 nan 8.290 nan 0.000 0.529 91 H N -0.338 118.772 119.070 0.065 0.000 2.855 91 H HA 0.865 5.423 4.556 0.004 0.000 0.363 91 H C 0.331 175.722 175.328 0.104 0.000 1.185 91 H CA 0.209 56.302 56.048 0.075 0.000 1.174 91 H CB 1.922 31.724 29.762 0.066 0.000 1.857 91 H HN 0.710 nan 8.280 nan 0.000 0.565 92 A N 0.718 123.697 122.820 0.265 0.000 2.485 92 A HA 0.734 5.056 4.320 0.004 0.000 0.292 92 A C -1.901 175.875 177.584 0.320 0.000 1.147 92 A CA -0.577 51.606 52.037 0.243 0.000 0.750 92 A CB 1.354 20.456 19.000 0.169 0.000 1.331 92 A HN 0.456 nan 8.150 nan 0.000 0.419 93 F N 0.273 120.300 119.950 0.129 0.000 2.588 93 F HA 0.565 5.094 4.527 0.004 0.000 0.314 93 F C -1.604 174.259 175.800 0.105 0.000 1.134 93 F CA -0.970 57.069 58.000 0.065 0.000 0.961 93 F CB 1.955 40.936 39.000 -0.031 0.000 1.239 93 F HN 0.453 nan 8.300 nan 0.000 0.448 94 L N 7.644 128.436 121.223 -0.718 0.000 2.270 94 L HA 0.436 4.778 4.340 0.004 0.000 0.286 94 L C -1.556 175.011 176.870 -0.505 0.000 1.059 94 L CA -0.305 54.290 54.840 -0.409 0.000 0.839 94 L CB -0.365 41.540 42.059 -0.256 0.000 1.221 94 L HN 0.497 nan 8.230 nan 0.000 0.431 95 Y N 4.443 124.701 120.300 -0.070 0.000 2.335 95 Y HA 0.409 4.961 4.550 0.004 0.000 0.331 95 Y C 0.382 176.267 175.900 -0.025 0.000 1.094 95 Y CA 0.047 58.233 58.100 0.144 0.000 1.253 95 Y CB 0.835 39.507 38.460 0.354 0.000 1.203 95 Y HN 0.429 nan 8.280 nan 0.000 0.508 96 K N 5.109 125.618 120.400 0.182 0.000 2.443 96 K HA 0.608 4.931 4.320 0.004 0.000 0.252 96 K C -1.469 175.106 176.600 -0.043 0.000 0.933 96 K CA -0.659 55.620 56.287 -0.014 0.000 0.792 96 K CB 1.893 34.480 32.500 0.144 0.000 1.185 96 K HN 0.576 nan 8.250 nan 0.000 0.425 97 F N -2.085 117.787 119.950 -0.130 0.000 2.926 97 F HA 0.564 5.093 4.527 0.004 0.000 0.321 97 F C -1.132 174.613 175.800 -0.093 0.000 1.168 97 F CA -0.973 56.915 58.000 -0.186 0.000 0.890 97 F CB 1.589 40.378 39.000 -0.352 0.000 1.357 97 F HN 0.307 nan 8.300 nan 0.000 0.468 98 T N -0.011 114.660 114.554 0.197 0.000 2.916 98 T HA 0.559 4.911 4.350 0.004 0.000 0.305 98 T C -2.564 172.193 174.700 0.094 0.000 1.119 98 T CA -1.782 60.409 62.100 0.151 0.000 1.008 98 T CB 1.958 70.881 68.868 0.093 0.000 1.129 98 T HN 0.463 nan 8.240 nan 0.000 0.480 99 P HA 0.192 nan 4.420 nan 0.000 0.223 99 P C 0.493 177.795 177.300 0.005 0.000 1.151 99 P CA 1.079 64.132 63.100 -0.078 0.000 0.787 99 P CB -0.046 31.615 31.700 -0.066 0.000 0.788 100 A N -1.315 121.538 122.820 0.056 0.000 2.739 100 A HA 0.022 4.344 4.320 0.004 0.000 0.296 100 A C 1.393 179.027 177.584 0.084 0.000 1.488 100 A CA 1.119 53.197 52.037 0.070 0.000 0.746 100 A CB -2.256 16.787 19.000 0.072 0.000 1.047 100 A HN 0.555 nan 8.150 nan 0.000 0.477 101 G N -2.021 106.833 108.800 0.091 0.000 2.175 101 G HA2 -0.276 3.686 3.960 0.004 0.000 0.244 101 G HA3 -0.276 3.686 3.960 0.004 0.000 0.244 101 G C 0.016 175.007 174.900 0.151 0.000 0.982 101 G CA 1.050 46.213 45.100 0.104 0.000 0.641 101 G HN 2.114 nan 8.290 nan 0.000 0.527 102 H N 0.866 119.935 119.070 -0.002 0.000 2.820 102 H HA 0.649 5.207 4.556 0.004 0.000 0.278 102 H C 0.631 176.001 175.328 0.069 0.000 1.142 102 H CA -0.063 55.974 56.048 -0.017 0.000 1.346 102 H CB 0.321 29.946 29.762 -0.228 0.000 1.438 102 H HN 0.515 nan 8.280 nan 0.000 0.473 103 A N 3.734 126.688 122.820 0.224 0.000 2.279 103 A HA 0.739 5.062 4.320 0.004 0.000 0.303 103 A C 0.403 178.026 177.584 0.064 0.000 1.108 103 A CA 0.293 52.406 52.037 0.127 0.000 0.830 103 A CB 1.042 20.108 19.000 0.112 0.000 1.106 103 A HN 0.946 nan 8.150 nan 0.000 0.493 104 G N -1.028 107.717 108.800 -0.092 0.000 2.341 104 G HA2 0.446 4.408 3.960 0.004 0.000 0.293 104 G HA3 0.446 4.408 3.960 0.004 0.000 0.293 104 G C -0.909 173.506 174.900 -0.807 0.000 1.298 104 G CA -0.201 44.603 45.100 -0.493 0.000 0.868 104 G HN 0.938 nan 8.290 nan 0.000 0.540 105 T N 1.156 115.130 114.554 -0.966 0.000 2.756 105 T HA 0.717 5.069 4.350 0.004 0.000 0.290 105 T C -0.870 173.301 174.700 -0.881 0.000 0.985 105 T CA 0.130 61.811 62.100 -0.698 0.000 0.955 105 T CB 0.526 69.142 68.868 -0.421 0.000 0.930 105 T HN 0.378 nan 8.240 nan 0.000 0.451 106 F N 1.483 121.404 119.950 -0.049 0.000 2.782 106 F HA 0.842 5.371 4.527 0.004 0.000 0.366 106 F C -0.863 175.066 175.800 0.215 0.000 1.171 106 F CA -1.108 56.929 58.000 0.061 0.000 1.064 106 F CB 1.408 40.381 39.000 -0.045 0.000 1.449 106 F HN 0.576 nan 8.300 nan 0.000 0.520 107 W N 0.444 121.822 121.300 0.130 0.000 3.146 107 W HA 0.540 5.202 4.660 0.004 0.000 0.319 107 W C -2.397 174.161 176.519 0.065 0.000 1.258 107 W CA -1.958 55.401 57.345 0.023 0.000 1.189 107 W CB -0.146 29.227 29.460 -0.145 0.000 1.412 107 W HN 0.601 nan 8.180 nan 0.000 0.567 108 Y N 0.440 120.772 120.300 0.054 0.000 2.528 108 Y HA 0.838 5.390 4.550 0.004 0.000 0.335 108 Y C -0.514 175.206 175.900 -0.300 0.000 1.093 108 Y CA -1.216 56.699 58.100 -0.308 0.000 1.134 108 Y CB 1.613 39.992 38.460 -0.134 0.000 1.253 108 Y HN 0.683 nan 8.280 nan 0.000 0.478 109 H N -1.717 117.071 119.070 -0.471 0.000 3.060 109 H HA 0.446 5.004 4.556 0.004 0.000 0.330 109 H C -1.247 173.950 175.328 -0.219 0.000 1.305 109 H CA -1.007 54.793 56.048 -0.413 0.000 1.209 109 H CB 0.757 29.972 29.762 -0.911 0.000 1.913 109 H HN 0.798 nan 8.280 nan 0.000 0.534 110 S N 0.257 116.055 115.700 0.163 0.000 2.568 110 S HA 0.012 4.484 4.470 0.004 0.000 0.282 110 S C -0.061 174.718 174.600 0.298 0.000 1.338 110 S CA -0.246 58.077 58.200 0.205 0.000 1.045 110 S CB 0.044 63.422 63.200 0.297 0.000 0.873 110 S HN 0.831 nan 8.310 nan 0.000 0.516 111 H N 3.638 122.818 119.070 0.182 0.000 2.562 111 H HA 0.297 4.855 4.556 0.004 0.000 0.249 111 H C -1.438 174.042 175.328 0.253 0.000 1.195 111 H CA -0.356 55.814 56.048 0.203 0.000 0.938 111 H CB -0.180 29.643 29.762 0.102 0.000 1.891 111 H HN 0.552 nan 8.280 nan 0.000 0.595 112 F N 0.749 120.809 119.950 0.183 0.000 2.434 112 F HA 0.463 4.992 4.527 0.004 0.000 0.355 112 F C 0.865 176.716 175.800 0.084 0.000 1.115 112 F CA 0.498 58.572 58.000 0.123 0.000 1.010 112 F CB 0.351 39.404 39.000 0.089 0.000 1.234 112 F HN 0.428 nan 8.300 nan 0.000 0.439 113 G N 4.258 112.836 108.800 -0.370 0.000 2.574 113 G HA2 -0.332 3.630 3.960 0.004 0.000 0.282 113 G HA3 -0.332 3.630 3.960 0.004 0.000 0.282 113 G C 0.613 175.380 174.900 -0.222 0.000 1.257 113 G CA 0.292 45.172 45.100 -0.366 0.000 0.956 113 G HN 1.310 nan 8.290 nan 0.000 0.560 114 T N -1.673 112.744 114.554 -0.228 0.000 3.244 114 T HA 0.352 4.705 4.350 0.004 0.000 0.254 114 T C 1.674 176.257 174.700 -0.195 0.000 1.024 114 T CA 1.178 63.099 62.100 -0.299 0.000 0.920 114 T CB 0.773 69.451 68.868 -0.317 0.000 1.042 114 T HN 0.768 nan 8.240 nan 0.000 0.572 115 Q N 1.070 120.847 119.800 -0.039 0.000 2.181 115 Q HA -0.222 4.120 4.340 0.004 0.000 0.205 115 Q C 1.840 177.920 176.000 0.133 0.000 0.980 115 Q CA 1.795 57.650 55.803 0.085 0.000 0.862 115 Q CB -0.377 28.491 28.738 0.217 0.000 0.905 115 Q HN 0.956 nan 8.270 nan 0.000 0.429 116 Y N -1.877 118.465 120.300 0.070 0.000 2.497 116 Y HA -0.043 4.509 4.550 0.004 0.000 0.292 116 Y C 1.866 177.847 175.900 0.135 0.000 1.137 116 Y CA 0.520 58.697 58.100 0.127 0.000 1.285 116 Y CB -0.911 37.634 38.460 0.141 0.000 0.991 116 Y HN 0.122 nan 8.280 nan 0.000 0.556 117 c N 0.913 119.371 118.600 -0.236 0.000 2.437 117 c HA -0.108 4.464 4.570 0.004 0.000 0.283 117 c C 1.641 175.761 174.090 0.050 0.000 1.424 117 c CA 0.797 57.044 56.329 -0.138 0.000 1.782 117 c CB -0.852 41.477 42.510 -0.303 0.000 1.833 117 c HN 0.555 nan 8.230 nan 0.000 0.532 118 D N -0.056 120.383 120.400 0.065 0.000 2.328 118 D HA 0.196 4.838 4.640 0.004 0.000 0.226 118 D C 1.755 178.227 176.300 0.287 0.000 1.066 118 D CA 1.143 55.191 54.000 0.080 0.000 0.861 118 D CB 0.063 40.903 40.800 0.067 0.000 0.912 118 D HN 0.622 nan 8.370 nan 0.000 0.521 119 G N 0.860 109.912 108.800 0.420 0.000 2.184 119 G HA2 -0.233 3.729 3.960 0.004 0.000 0.206 119 G HA3 -0.233 3.729 3.960 0.004 0.000 0.206 119 G C 0.129 175.258 174.900 0.382 0.000 0.995 119 G CA -0.266 45.155 45.100 0.534 0.000 0.651 119 G HN 0.269 nan 8.290 nan 0.000 0.511 120 L N 2.802 124.228 121.223 0.339 0.000 2.387 120 L HA 0.735 5.077 4.340 0.004 0.000 0.267 120 L C 0.659 177.714 176.870 0.309 0.000 1.197 120 L CA -0.392 54.636 54.840 0.314 0.000 1.070 120 L CB -1.125 41.102 42.059 0.281 0.000 1.349 120 L HN 0.562 nan 8.230 nan 0.000 0.422 121 R N 2.023 122.656 120.500 0.222 0.000 2.753 121 R HA 0.840 5.182 4.340 0.004 0.000 0.272 121 R C -0.971 175.142 176.300 -0.312 0.000 1.034 121 R CA -0.717 55.358 56.100 -0.041 0.000 0.869 121 R CB 0.755 31.231 30.300 0.293 0.000 1.264 121 R HN 0.398 nan 8.270 nan 0.000 0.481 122 G N 0.647 108.928 108.800 -0.865 0.000 2.506 122 G HA2 0.567 4.530 3.960 0.004 0.000 0.292 122 G HA3 0.567 4.530 3.960 0.004 0.000 0.292 122 G C -3.225 171.549 174.900 -0.211 0.000 1.425 122 G CA -1.119 43.724 45.100 -0.429 0.000 0.788 122 G HN 0.433 nan 8.290 nan 0.000 0.490 123 P HA 0.411 nan 4.420 nan 0.000 0.277 123 P C -0.775 176.720 177.300 0.326 0.000 1.240 123 P CA -0.225 62.968 63.100 0.154 0.000 0.798 123 P CB 1.623 33.363 31.700 0.066 0.000 0.979 124 M N 2.690 122.471 119.600 0.302 0.000 2.124 124 M HA 0.310 4.792 4.480 0.004 0.000 0.280 124 M C -1.992 174.428 176.300 0.201 0.000 0.954 124 M CA -0.662 54.831 55.300 0.322 0.000 0.958 124 M CB 1.423 34.268 32.600 0.408 0.000 1.611 124 M HN -0.036 nan 8.290 nan 0.000 0.449 125 V N 5.896 125.864 119.914 0.089 0.000 2.459 125 V HA 0.552 4.674 4.120 0.004 0.000 0.295 125 V C -0.361 175.634 176.094 -0.166 0.000 1.029 125 V CA -0.722 61.490 62.300 -0.146 0.000 0.874 125 V CB 1.926 33.536 31.823 -0.355 0.000 0.985 125 V HN 0.653 nan 8.190 nan 0.000 0.438 126 I N 5.193 125.678 120.570 -0.141 0.000 2.359 126 I HA 0.396 4.568 4.170 0.004 0.000 0.284 126 I C -0.384 175.652 176.117 -0.135 0.000 1.018 126 I CA -0.701 60.594 61.300 -0.007 0.000 1.173 126 I CB 0.738 38.831 38.000 0.155 0.000 1.326 126 I HN 0.513 nan 8.210 nan 0.000 0.462 127 Y N 3.357 123.718 120.300 0.103 0.000 2.300 127 Y HA 0.269 4.821 4.550 0.004 0.000 0.328 127 Y C 0.867 176.814 175.900 0.079 0.000 1.270 127 Y CA -0.103 58.043 58.100 0.077 0.000 1.352 127 Y CB 0.717 39.215 38.460 0.062 0.000 1.286 127 Y HN 0.428 nan 8.280 nan 0.000 0.536 128 D N 1.051 121.594 120.400 0.239 0.000 2.168 128 D HA 0.079 4.721 4.640 0.004 0.000 0.246 128 D C -0.051 176.332 176.300 0.138 0.000 1.050 128 D CA -0.564 53.532 54.000 0.160 0.000 0.857 128 D CB 1.258 42.138 40.800 0.134 0.000 1.169 128 D HN 0.680 nan 8.370 nan 0.000 0.453 129 D N 1.576 122.035 120.400 0.097 0.000 2.340 129 D HA -0.061 4.582 4.640 0.004 0.000 0.220 129 D C 0.380 176.709 176.300 0.049 0.000 1.039 129 D CA 0.153 54.192 54.000 0.065 0.000 0.866 129 D CB -0.042 40.787 40.800 0.048 0.000 0.913 129 D HN 0.185 nan 8.370 nan 0.000 0.523 130 N N 0.428 119.161 118.700 0.054 0.000 2.598 130 N HA 0.012 4.754 4.740 0.004 0.000 0.295 130 N C -1.272 174.260 175.510 0.036 0.000 1.729 130 N CA -0.426 52.645 53.050 0.035 0.000 0.877 130 N CB 0.179 38.684 38.487 0.030 0.000 1.405 130 N HN -0.038 nan 8.380 nan 0.000 0.491 131 D N 0.838 121.272 120.400 0.057 0.000 2.487 131 D HA 0.021 4.663 4.640 0.004 0.000 0.243 131 D C -1.335 174.975 176.300 0.018 0.000 1.154 131 D CA -1.006 53.034 54.000 0.066 0.000 0.876 131 D CB 1.559 42.445 40.800 0.144 0.000 1.161 131 D HN 0.243 nan 8.370 nan 0.000 0.478 132 P HA -0.117 nan 4.420 nan 0.000 0.219 132 P C 0.541 177.777 177.300 -0.106 0.000 1.146 132 P CA 1.060 64.090 63.100 -0.116 0.000 0.808 132 P CB 0.207 31.776 31.700 -0.219 0.000 0.779 133 H N -1.858 117.251 119.070 0.065 0.000 2.520 133 H HA 0.409 4.967 4.556 0.003 0.000 0.284 133 H C 1.696 176.967 175.328 -0.096 0.000 1.037 133 H CA 0.024 56.109 56.048 0.062 0.000 1.168 133 H CB -0.278 29.601 29.762 0.194 0.000 1.497 133 H HN 0.016 nan 8.280 nan 0.000 0.547 134 A N 0.956 123.730 122.820 -0.077 0.000 1.986 134 A HA -0.160 4.162 4.320 0.004 0.000 0.220 134 A C 2.524 179.818 177.584 -0.483 0.000 1.171 134 A CA 1.611 53.417 52.037 -0.384 0.000 0.640 134 A CB -0.492 18.404 19.000 -0.174 0.000 0.811 134 A HN 0.399 nan 8.150 nan 0.000 0.451 135 A N -1.259 121.420 122.820 -0.235 0.000 2.121 135 A HA 0.155 4.477 4.320 0.004 0.000 0.218 135 A C 1.703 179.186 177.584 -0.168 0.000 1.154 135 A CA 1.182 53.117 52.037 -0.170 0.000 0.679 135 A CB -0.317 18.641 19.000 -0.069 0.000 0.795 135 A HN 0.373 nan 8.150 nan 0.000 0.458 136 L N -1.238 119.878 121.223 -0.179 0.000 2.492 136 L HA 0.141 4.483 4.340 0.004 0.000 0.223 136 L C 0.271 177.155 176.870 0.024 0.000 1.132 136 L CA 0.808 55.629 54.840 -0.032 0.000 0.850 136 L CB -1.052 41.056 42.059 0.082 0.000 0.966 136 L HN 0.659 nan 8.230 nan 0.000 0.454 137 Y N -5.843 114.441 120.300 -0.027 0.000 2.625 137 Y HA 0.480 5.032 4.550 0.003 0.000 0.338 137 Y C 0.379 176.216 175.900 -0.106 0.000 1.123 137 Y CA -1.355 56.699 58.100 -0.077 0.000 1.046 137 Y CB 0.368 38.785 38.460 -0.072 0.000 1.299 137 Y HN -0.206 nan 8.280 nan 0.000 0.464 138 D N 0.025 120.421 120.400 -0.007 0.000 2.324 138 D HA 0.056 4.698 4.640 0.004 0.000 0.212 138 D C -0.367 175.901 176.300 -0.053 0.000 0.984 138 D CA 0.955 54.897 54.000 -0.096 0.000 0.885 138 D CB 0.707 41.387 40.800 -0.200 0.000 0.996 138 D HN 0.571 nan 8.370 nan 0.000 0.505 139 E N 0.866 121.018 120.200 -0.080 0.000 2.288 139 E HA 0.451 4.803 4.350 0.004 0.000 0.268 139 E C -1.247 175.377 176.600 0.040 0.000 0.885 139 E CA -0.463 55.910 56.400 -0.046 0.000 0.767 139 E CB 2.697 32.312 29.700 -0.140 0.000 1.220 139 E HN -0.137 nan 8.360 nan 0.000 0.427 140 D N 1.709 122.141 120.400 0.054 0.000 2.333 140 D HA 0.245 4.888 4.640 0.004 0.000 0.225 140 D C -1.616 174.717 176.300 0.055 0.000 1.345 140 D CA -0.280 53.740 54.000 0.033 0.000 0.971 140 D CB 0.410 41.237 40.800 0.046 0.000 1.451 140 D HN 0.424 nan 8.370 nan 0.000 0.561 141 D N 0.959 121.400 120.400 0.069 0.000 3.103 141 D HA 0.149 4.791 4.640 0.004 0.000 0.337 141 D C 1.031 177.388 176.300 0.095 0.000 1.356 141 D CA -0.512 53.521 54.000 0.054 0.000 0.951 141 D CB 0.007 40.803 40.800 -0.006 0.000 1.438 141 D HN 0.105 nan 8.370 nan 0.000 0.562 142 E N -0.195 120.049 120.200 0.073 0.000 2.338 142 E HA -0.122 4.230 4.350 0.004 0.000 0.197 142 E C 0.057 176.676 176.600 0.031 0.000 1.007 142 E CA 0.751 57.193 56.400 0.071 0.000 0.849 142 E CB -0.473 29.264 29.700 0.063 0.000 0.774 142 E HN 0.337 nan 8.360 nan 0.000 0.506 143 N N 1.127 119.838 118.700 0.019 0.000 2.270 143 N HA -0.006 4.736 4.740 0.004 0.000 0.198 143 N C 0.505 175.995 175.510 -0.033 0.000 1.117 143 N CA 0.967 54.012 53.050 -0.009 0.000 0.845 143 N CB 0.871 39.356 38.487 -0.003 0.000 0.980 143 N HN 0.353 nan 8.380 nan 0.000 0.486 144 T N -2.495 112.044 114.554 -0.025 0.000 3.228 144 T HA 0.421 4.773 4.350 0.004 0.000 0.278 144 T C 0.406 175.035 174.700 -0.118 0.000 1.014 144 T CA -0.282 61.775 62.100 -0.073 0.000 0.904 144 T CB -0.219 68.629 68.868 -0.034 0.000 1.110 144 T HN -0.092 nan 8.240 nan 0.000 0.541 145 I N 1.635 122.153 120.570 -0.086 0.000 2.392 145 I HA 0.520 4.692 4.170 0.004 0.000 0.295 145 I C -0.454 175.595 176.117 -0.114 0.000 0.985 145 I CA -1.342 59.894 61.300 -0.106 0.000 1.221 145 I CB 1.858 39.823 38.000 -0.058 0.000 1.366 145 I HN 0.162 nan 8.210 nan 0.000 0.467 146 I N 5.300 125.781 120.570 -0.148 0.000 2.448 146 I HA 0.221 4.394 4.170 0.004 0.000 0.281 146 I C 0.050 176.046 176.117 -0.203 0.000 1.027 146 I CA -0.441 60.776 61.300 -0.139 0.000 1.111 146 I CB 1.760 39.701 38.000 -0.098 0.000 1.236 146 I HN 0.562 nan 8.210 nan 0.000 0.452 147 T N 4.760 119.198 114.554 -0.193 0.000 2.928 147 T HA 0.768 5.120 4.350 0.004 0.000 0.284 147 T C -0.449 174.058 174.700 -0.321 0.000 1.008 147 T CA -0.710 61.240 62.100 -0.250 0.000 1.057 147 T CB 1.661 70.412 68.868 -0.196 0.000 1.018 147 T HN 0.341 nan 8.240 nan 0.000 0.493 148 L N 1.623 122.584 121.223 -0.438 0.000 2.381 148 L HA 0.774 5.116 4.340 0.004 0.000 0.274 148 L C -0.205 176.345 176.870 -0.532 0.000 0.988 148 L CA -1.191 53.214 54.840 -0.726 0.000 0.824 148 L CB 1.776 43.067 42.059 -1.280 0.000 1.263 148 L HN 1.003 nan 8.230 nan 0.000 0.410 149 A N 1.800 124.424 122.820 -0.326 0.000 2.449 149 A HA 0.668 4.990 4.320 0.004 0.000 0.302 149 A C -1.448 176.360 177.584 0.374 0.000 1.048 149 A CA -0.761 51.354 52.037 0.130 0.000 0.708 149 A CB 1.423 20.485 19.000 0.103 0.000 1.274 149 A HN 0.708 nan 8.150 nan 0.000 0.410 150 D N 1.382 122.082 120.400 0.500 0.000 2.308 150 D HA 0.250 4.892 4.640 0.004 0.000 0.251 150 D C -0.530 175.883 176.300 0.188 0.000 1.127 150 D CA -0.114 54.061 54.000 0.292 0.000 0.876 150 D CB 1.020 41.902 40.800 0.137 0.000 1.176 150 D HN 0.598 nan 8.370 nan 0.000 0.446 151 W N 3.253 124.397 121.300 -0.260 0.000 2.739 151 W HA 0.382 5.044 4.660 0.003 0.000 0.331 151 W C -1.850 174.384 176.519 -0.474 0.000 1.049 151 W CA -0.918 56.324 57.345 -0.172 0.000 1.234 151 W CB 1.486 30.952 29.460 0.011 0.000 1.404 151 W HN 0.319 nan 8.180 nan 0.000 0.477 152 Y N 2.814 122.737 120.300 -0.628 0.000 2.446 152 Y HA 0.223 4.775 4.550 0.004 0.000 0.338 152 Y C 1.269 176.864 175.900 -0.510 0.000 1.055 152 Y CA -0.534 57.269 58.100 -0.494 0.000 1.101 152 Y CB 1.666 39.915 38.460 -0.351 0.000 1.221 152 Y HN 0.448 nan 8.280 nan 0.000 0.460 153 H N 1.146 120.047 119.070 -0.282 0.000 2.548 153 H HA 0.168 4.726 4.556 0.004 0.000 0.268 153 H C -0.371 174.901 175.328 -0.093 0.000 0.975 153 H CA 0.186 56.068 56.048 -0.278 0.000 1.195 153 H CB 0.487 29.811 29.762 -0.730 0.000 1.397 153 H HN 0.234 nan 8.280 nan 0.000 0.572 154 I N 1.725 122.304 120.570 0.015 0.000 2.474 154 I HA 0.230 4.402 4.170 0.004 0.000 0.294 154 I C -2.268 173.822 176.117 -0.045 0.000 1.005 154 I CA -3.275 58.029 61.300 0.008 0.000 1.113 154 I CB 1.491 39.479 38.000 -0.019 0.000 1.289 154 I HN -0.211 nan 8.210 nan 0.000 0.436 155 P HA 0.007 nan 4.420 nan 0.000 0.264 155 P C 0.637 177.895 177.300 -0.070 0.000 1.179 155 P CA 0.142 63.216 63.100 -0.042 0.000 0.763 155 P CB 0.658 32.359 31.700 0.002 0.000 0.806 156 A N 5.982 128.749 122.820 -0.088 0.000 1.927 156 A HA -0.167 4.155 4.320 0.004 0.000 0.220 156 A C -0.423 177.131 177.584 -0.050 0.000 1.185 156 A CA 1.953 53.933 52.037 -0.094 0.000 0.639 156 A CB -2.447 16.498 19.000 -0.092 0.000 0.820 156 A HN 0.498 nan 8.150 nan 0.000 0.451 157 P HA -0.024 nan 4.420 nan 0.000 0.220 157 P C 1.074 178.358 177.300 -0.026 0.000 1.148 157 P CA 1.412 64.501 63.100 -0.018 0.000 0.803 157 P CB 0.012 31.712 31.700 -0.000 0.000 0.782 158 S N -1.118 114.561 115.700 -0.035 0.000 2.577 158 S HA 0.185 4.657 4.470 0.004 0.000 0.219 158 S C 0.817 175.377 174.600 -0.067 0.000 0.962 158 S CA -0.259 57.918 58.200 -0.038 0.000 0.921 158 S CB -0.588 62.600 63.200 -0.020 0.000 0.789 158 S HN 0.091 nan 8.310 nan 0.000 0.497 159 I N 2.444 122.951 120.570 -0.104 0.000 2.710 159 I HA 0.011 4.183 4.170 0.004 0.000 0.286 159 I C 0.791 176.821 176.117 -0.146 0.000 1.181 159 I CA 0.310 61.511 61.300 -0.165 0.000 1.430 159 I CB 0.436 38.269 38.000 -0.278 0.000 1.367 159 I HN 0.210 nan 8.210 nan 0.000 0.577 165 P HA -0.011 nan 4.420 nan 0.000 0.262 165 P C 0.064 177.137 177.300 -0.378 0.000 1.182 165 P CA 0.295 63.055 63.100 -0.566 0.000 0.761 165 P CB 0.818 32.266 31.700 -0.419 0.000 0.795 166 D N 1.256 121.362 120.400 -0.489 0.000 2.213 166 D HA 0.068 4.711 4.640 0.004 0.000 0.205 166 D C 0.661 176.844 176.300 -0.196 0.000 0.961 166 D CA 1.084 54.809 54.000 -0.458 0.000 0.853 166 D CB 0.493 40.633 40.800 -1.099 0.000 0.967 166 D HN 0.443 nan 8.370 nan 0.000 0.496 167 A N -0.215 122.545 122.820 -0.100 0.000 2.594 167 A HA 0.529 4.851 4.320 0.004 0.000 0.291 167 A C -0.792 176.861 177.584 0.114 0.000 1.105 167 A CA -0.539 51.543 52.037 0.075 0.000 0.694 167 A CB 1.713 20.839 19.000 0.211 0.000 1.291 167 A HN -0.120 nan 8.150 nan 0.000 0.410 168 T N 1.916 116.552 114.554 0.135 0.000 2.767 168 T HA 0.545 4.897 4.350 0.004 0.000 0.288 168 T C -0.375 174.346 174.700 0.035 0.000 0.963 168 T CA 0.013 62.213 62.100 0.167 0.000 1.019 168 T CB 0.048 69.022 68.868 0.177 0.000 0.923 168 T HN 0.404 nan 8.240 nan 0.000 0.468 169 L N 4.580 125.795 121.223 -0.014 0.000 2.282 169 L HA 0.582 4.924 4.340 0.004 0.000 0.288 169 L C -0.252 176.504 176.870 -0.190 0.000 1.033 169 L CA -0.776 54.002 54.840 -0.103 0.000 0.807 169 L CB 1.122 43.089 42.059 -0.154 0.000 1.209 169 L HN 0.496 nan 8.230 nan 0.000 0.423 170 I N 4.102 124.579 120.570 -0.156 0.000 2.355 170 I HA 0.259 4.431 4.170 0.004 0.000 0.288 170 I C -0.190 175.849 176.117 -0.129 0.000 0.999 170 I CA -0.567 60.637 61.300 -0.160 0.000 1.163 170 I CB 1.245 39.191 38.000 -0.090 0.000 1.316 170 I HN 0.658 nan 8.210 nan 0.000 0.454 171 N N 5.211 123.824 118.700 -0.144 0.000 2.725 171 N HA -0.195 4.547 4.740 0.004 0.000 0.251 171 N C 0.937 176.359 175.510 -0.148 0.000 1.031 171 N CA 1.325 54.301 53.050 -0.123 0.000 0.720 171 N CB -0.955 37.481 38.487 -0.084 0.000 0.930 171 N HN 1.154 nan 8.380 nan 0.000 0.543 172 G N -1.533 107.141 108.800 -0.210 0.000 2.168 172 G HA2 -0.360 3.603 3.960 0.004 0.000 0.263 172 G HA3 -0.360 3.603 3.960 0.004 0.000 0.263 172 G C -0.024 174.705 174.900 -0.285 0.000 0.977 172 G CA 1.091 45.997 45.100 -0.322 0.000 0.659 172 G HN 0.583 nan 8.290 nan 0.000 0.533 173 K N -0.567 119.725 120.400 -0.180 0.000 2.426 173 K HA 0.724 5.047 4.320 0.004 0.000 0.251 173 K C 0.188 176.745 176.600 -0.073 0.000 0.941 173 K CA -0.316 55.898 56.287 -0.122 0.000 0.808 173 K CB 2.417 34.876 32.500 -0.070 0.000 1.265 173 K HN 0.777 nan 8.250 nan 0.000 0.432 174 G N 1.150 109.933 108.800 -0.029 0.000 2.430 174 G HA2 0.391 4.353 3.960 0.004 0.000 0.300 174 G HA3 0.391 4.353 3.960 0.004 0.000 0.300 174 G C -1.691 173.252 174.900 0.072 0.000 1.330 174 G CA -0.860 44.251 45.100 0.018 0.000 0.813 174 G HN 0.416 nan 8.290 nan 0.000 0.487 175 R N -1.022 119.526 120.500 0.081 0.000 2.854 175 R HA 0.630 4.972 4.340 0.004 0.000 0.271 175 R C -1.145 175.252 176.300 0.162 0.000 0.994 175 R CA -0.858 55.300 56.100 0.096 0.000 0.945 175 R CB 2.050 32.353 30.300 0.006 0.000 1.194 175 R HN 0.707 nan 8.270 nan 0.000 0.476 176 Y N -1.851 118.498 120.300 0.081 0.000 2.496 176 Y HA 0.550 5.103 4.550 0.004 0.000 0.331 176 Y C -0.113 175.799 175.900 0.019 0.000 1.140 176 Y CA -1.505 56.620 58.100 0.041 0.000 1.166 176 Y CB 0.497 38.999 38.460 0.070 0.000 1.249 176 Y HN 0.115 nan 8.280 nan 0.000 0.479 177 V N 3.056 123.031 119.914 0.101 0.000 2.493 177 V HA 0.312 4.434 4.120 0.004 0.000 0.292 177 V C 1.112 177.206 176.094 -0.001 0.000 1.016 177 V CA 1.492 63.793 62.300 0.002 0.000 1.097 177 V CB 0.025 31.848 31.823 -0.001 0.000 0.947 177 V HN 1.314 nan 8.190 nan 0.000 0.479 178 G N 3.791 112.534 108.800 -0.095 0.000 2.176 178 G HA2 -0.156 3.807 3.960 0.004 0.000 0.253 178 G HA3 -0.156 3.807 3.960 0.004 0.000 0.253 178 G C 0.538 175.290 174.900 -0.247 0.000 0.979 178 G CA -0.028 45.019 45.100 -0.088 0.000 0.641 178 G HN 1.283 nan 8.290 nan 0.000 0.530 179 G N 0.303 108.700 108.800 -0.672 0.000 2.588 179 G HA2 0.681 4.643 3.960 0.004 0.000 0.281 179 G HA3 0.681 4.643 3.960 0.004 0.000 0.281 179 G C -1.200 173.457 174.900 -0.404 0.000 1.236 179 G CA -0.265 44.201 45.100 -1.057 0.000 0.969 179 G HN 0.320 nan 8.290 nan 0.000 0.504 180 P HA 0.286 nan 4.420 nan 0.000 0.272 180 P C -0.305 176.952 177.300 -0.072 0.000 1.240 180 P CA -0.199 62.852 63.100 -0.082 0.000 0.791 180 P CB 0.898 32.599 31.700 0.001 0.000 0.978 181 A N 1.096 123.898 122.820 -0.030 0.000 3.063 181 A HA 0.462 4.784 4.320 0.004 0.000 0.263 181 A C 0.908 178.499 177.584 0.012 0.000 1.736 181 A CA -0.280 51.752 52.037 -0.008 0.000 1.408 181 A CB -1.512 17.490 19.000 0.004 0.000 1.108 181 A HN 0.675 nan 8.150 nan 0.000 0.621 182 A N 0.751 123.582 122.820 0.017 0.000 2.507 182 A HA 0.255 4.577 4.320 0.004 0.000 0.235 182 A C 0.630 178.233 177.584 0.031 0.000 1.070 182 A CA -0.059 51.998 52.037 0.034 0.000 0.768 182 A CB 0.030 19.064 19.000 0.058 0.000 1.011 182 A HN 0.780 nan 8.150 nan 0.000 0.502 183 E N 0.978 121.193 120.200 0.025 0.000 2.415 183 E HA 0.236 4.588 4.350 0.004 0.000 0.263 183 E C -0.792 175.821 176.600 0.022 0.000 0.995 183 E CA -0.006 56.406 56.400 0.021 0.000 0.915 183 E CB 0.193 29.899 29.700 0.010 0.000 0.951 183 E HN 0.510 nan 8.360 nan 0.000 0.449 184 L N 2.890 124.134 121.223 0.036 0.000 2.360 184 L HA 0.263 4.605 4.340 0.004 0.000 0.271 184 L C 0.529 177.412 176.870 0.022 0.000 1.057 184 L CA -0.845 54.023 54.840 0.046 0.000 0.803 184 L CB 1.695 43.818 42.059 0.106 0.000 1.207 184 L HN 0.493 nan 8.230 nan 0.000 0.445 185 S N 1.632 117.338 115.700 0.010 0.000 2.585 185 S HA 0.455 4.927 4.470 0.004 0.000 0.273 185 S C -0.210 174.388 174.600 -0.003 0.000 1.339 185 S CA -0.216 57.979 58.200 -0.009 0.000 1.028 185 S CB 0.500 63.684 63.200 -0.027 0.000 0.906 185 S HN 0.275 nan 8.310 nan 0.000 0.528 186 I N 2.156 122.714 120.570 -0.021 0.000 2.465 186 I HA 0.359 4.531 4.170 0.004 0.000 0.291 186 I C -0.916 175.173 176.117 -0.048 0.000 1.014 186 I CA -0.641 60.640 61.300 -0.031 0.000 1.093 186 I CB 1.932 39.910 38.000 -0.036 0.000 1.267 186 I HN 0.223 nan 8.210 nan 0.000 0.431 187 V N 6.093 125.970 119.914 -0.062 0.000 2.347 187 V HA 0.347 4.469 4.120 0.004 0.000 0.280 187 V C -0.101 175.905 176.094 -0.147 0.000 1.021 187 V CA -0.763 61.476 62.300 -0.103 0.000 0.847 187 V CB 1.245 33.006 31.823 -0.104 0.000 0.990 187 V HN 0.631 nan 8.190 nan 0.000 0.444 188 N N 3.771 122.374 118.700 -0.162 0.000 2.455 188 N HA 0.603 5.345 4.740 0.004 0.000 0.280 188 N C -0.464 174.848 175.510 -0.329 0.000 1.055 188 N CA -0.083 52.861 53.050 -0.178 0.000 0.961 188 N CB 2.425 40.851 38.487 -0.102 0.000 1.121 188 N HN 0.597 nan 8.380 nan 0.000 0.476 189 V N -0.783 118.906 119.914 -0.375 0.000 3.130 189 V HA 0.610 4.732 4.120 0.004 0.000 0.310 189 V C -0.622 175.294 176.094 -0.296 0.000 1.158 189 V CA -0.998 60.969 62.300 -0.554 0.000 1.029 189 V CB 2.403 33.700 31.823 -0.877 0.000 1.057 189 V HN 0.490 nan 8.190 nan 0.000 0.436 190 E N 1.210 121.374 120.200 -0.061 0.000 2.176 190 E HA 0.370 4.722 4.350 0.004 0.000 0.267 190 E C -0.908 175.691 176.600 -0.002 0.000 0.893 190 E CA -0.644 55.755 56.400 -0.002 0.000 0.761 190 E CB 2.259 32.007 29.700 0.080 0.000 1.133 190 E HN 0.798 nan 8.360 nan 0.000 0.409 191 Q N 1.063 120.907 119.800 0.075 0.000 2.304 191 Q HA 0.017 4.359 4.340 0.004 0.000 0.301 191 Q C 0.828 176.911 176.000 0.137 0.000 1.063 191 Q CA 1.585 57.519 55.803 0.218 0.000 0.947 191 Q CB 0.186 29.129 28.738 0.341 0.000 1.201 191 Q HN 0.896 nan 8.270 nan 0.000 0.389 192 G N 2.996 111.878 108.800 0.135 0.000 2.217 192 G HA2 -0.256 3.706 3.960 0.004 0.000 0.246 192 G HA3 -0.256 3.706 3.960 0.004 0.000 0.246 192 G C -0.140 174.788 174.900 0.046 0.000 0.990 192 G CA 0.289 45.439 45.100 0.084 0.000 0.627 192 G HN 0.550 nan 8.290 nan 0.000 0.522 193 K N 0.232 120.658 120.400 0.045 0.000 2.106 193 K HA 0.665 4.987 4.320 0.004 0.000 0.246 193 K C -0.063 176.488 176.600 -0.081 0.000 0.987 193 K CA -0.472 55.771 56.287 -0.073 0.000 0.904 193 K CB 1.078 33.470 32.500 -0.180 0.000 1.071 193 K HN 0.118 nan 8.250 nan 0.000 0.453 194 K N 1.487 121.726 120.400 -0.269 0.000 2.378 194 K HA 0.366 4.689 4.320 0.004 0.000 0.252 194 K C -1.484 174.895 176.600 -0.368 0.000 0.931 194 K CA -0.696 55.518 56.287 -0.122 0.000 0.794 194 K CB 1.413 33.920 32.500 0.011 0.000 1.181 194 K HN 0.375 nan 8.250 nan 0.000 0.425 195 Y N 0.432 120.736 120.300 0.007 0.000 2.425 195 Y HA 0.332 4.884 4.550 0.003 0.000 0.344 195 Y C -0.001 175.757 175.900 -0.237 0.000 0.969 195 Y CA -0.962 57.088 58.100 -0.083 0.000 1.052 195 Y CB 1.892 40.273 38.460 -0.133 0.000 1.215 195 Y HN 0.387 nan 8.280 nan 0.000 0.451 196 R N 4.045 124.335 120.500 -0.351 0.000 2.419 196 R HA 0.305 4.647 4.340 0.004 0.000 0.305 196 R C -0.968 175.068 176.300 -0.439 0.000 1.242 196 R CA -0.362 55.365 56.100 -0.622 0.000 1.105 196 R CB 0.038 29.627 30.300 -1.186 0.000 1.116 196 R HN 0.576 nan 8.270 nan 0.000 0.523 197 M N 3.803 123.053 119.600 -0.583 0.000 2.185 197 M HA 0.213 4.695 4.480 0.004 0.000 0.357 197 M C 0.002 175.900 176.300 -0.669 0.000 1.260 197 M CA 0.169 55.043 55.300 -0.710 0.000 1.124 197 M CB 1.183 33.039 32.600 -1.240 0.000 1.600 197 M HN 0.386 nan 8.290 nan 0.000 0.467 198 R N 2.814 123.074 120.500 -0.400 0.000 2.272 198 R HA 0.464 4.806 4.340 0.004 0.000 0.323 198 R C -0.958 175.191 176.300 -0.251 0.000 1.002 198 R CA -0.787 55.137 56.100 -0.294 0.000 0.900 198 R CB 1.111 31.273 30.300 -0.231 0.000 1.151 198 R HN 0.446 nan 8.270 nan 0.000 0.507 199 L N 5.284 126.382 121.223 -0.208 0.000 2.265 199 L HA 0.480 4.822 4.340 0.004 0.000 0.288 199 L C -0.926 175.803 176.870 -0.235 0.000 1.058 199 L CA -0.012 54.691 54.840 -0.228 0.000 0.809 199 L CB 0.761 42.704 42.059 -0.193 0.000 1.179 199 L HN 0.529 nan 8.230 nan 0.000 0.429 200 I N 3.915 124.305 120.570 -0.300 0.000 2.466 200 I HA 0.283 4.455 4.170 0.004 0.000 0.289 200 I C -0.264 175.585 176.117 -0.447 0.000 1.026 200 I CA -0.536 60.539 61.300 -0.374 0.000 1.078 200 I CB 2.078 39.872 38.000 -0.343 0.000 1.249 200 I HN 0.591 nan 8.210 nan 0.000 0.429 201 S N 6.573 121.973 115.700 -0.500 0.000 2.439 201 S HA 0.429 4.902 4.470 0.004 0.000 0.282 201 S C 0.471 174.549 174.600 -0.869 0.000 1.170 201 S CA -0.491 57.457 58.200 -0.420 0.000 1.054 201 S CB 0.353 63.445 63.200 -0.180 0.000 0.956 201 S HN 0.592 nan 8.310 nan 0.000 0.490 202 L N 4.085 124.931 121.223 -0.630 0.000 2.685 202 L HA 0.265 4.607 4.340 0.004 0.000 0.233 202 L C 1.188 177.965 176.870 -0.154 0.000 1.173 202 L CA -0.279 54.102 54.840 -0.765 0.000 0.961 202 L CB -0.044 41.885 42.059 -0.216 0.000 1.217 202 L HN 0.567 nan 8.230 nan 0.000 0.478 203 S N -1.063 114.617 115.700 -0.032 0.000 2.560 203 S HA -0.013 4.459 4.470 0.004 0.000 0.284 203 S C 1.170 175.922 174.600 0.252 0.000 1.327 203 S CA -0.504 57.811 58.200 0.192 0.000 1.055 203 S CB 0.983 64.214 63.200 0.052 0.000 0.868 203 S HN 0.355 nan 8.310 nan 0.000 0.506 204 c N 3.156 121.849 118.600 0.154 0.000 2.563 204 c HA 0.216 4.788 4.570 0.004 0.000 0.268 204 c C 1.573 175.608 174.090 -0.092 0.000 1.365 204 c CA 0.285 56.540 56.329 -0.123 0.000 1.754 204 c CB -0.879 41.410 42.510 -0.368 0.000 1.932 204 c HN 1.004 nan 8.230 nan 0.000 0.536 205 D N -1.262 119.138 120.400 0.000 0.000 2.474 205 D HA 0.092 4.734 4.640 0.004 0.000 0.108 205 D C -2.388 173.822 176.300 -0.150 0.000 1.491 205 D CA 0.364 54.347 54.000 -0.028 0.000 1.401 205 D CB -0.775 40.124 40.800 0.165 0.000 2.273 205 D HN 0.040 nan 8.370 nan 0.000 0.229 206 P HA 0.189 nan 4.420 nan 0.000 0.269 206 P C -0.654 176.206 177.300 -0.734 0.000 1.215 206 P CA 0.098 62.890 63.100 -0.512 0.000 0.780 206 P CB 0.334 31.605 31.700 -0.715 0.000 0.898 207 N N 0.247 118.569 118.700 -0.629 0.000 2.459 207 N HA 0.434 5.176 4.740 0.004 0.000 0.288 207 N C -1.047 174.048 175.510 -0.692 0.000 1.186 207 N CA -0.776 51.896 53.050 -0.629 0.000 0.917 207 N CB 1.052 39.123 38.487 -0.693 0.000 1.219 207 N HN 0.394 nan 8.380 nan 0.000 0.525 208 W N -0.446 120.719 121.300 -0.225 0.000 2.844 208 W HA 0.349 5.011 4.660 0.003 0.000 0.340 208 W C -0.572 175.882 176.519 -0.109 0.000 1.093 208 W CA -0.448 56.823 57.345 -0.123 0.000 1.212 208 W CB 1.939 31.375 29.460 -0.039 0.000 1.422 208 W HN 0.345 nan 8.180 nan 0.000 0.515 209 Q N 2.578 122.488 119.800 0.184 0.000 2.349 209 Q HA 0.229 4.572 4.340 0.004 0.000 0.254 209 Q C -1.065 175.047 176.000 0.187 0.000 0.980 209 Q CA -0.413 55.461 55.803 0.117 0.000 0.924 209 Q CB 1.499 30.276 28.738 0.065 0.000 1.209 209 Q HN 0.322 nan 8.270 nan 0.000 0.445 210 F N 2.271 122.214 119.950 -0.011 0.000 2.436 210 F HA 0.471 5.000 4.527 0.003 0.000 0.340 210 F C -0.331 175.398 175.800 -0.117 0.000 1.113 210 F CA -0.309 57.658 58.000 -0.055 0.000 1.022 210 F CB 1.201 40.146 39.000 -0.093 0.000 1.128 210 F HN 0.486 nan 8.300 nan 0.000 0.466 211 S N 5.472 120.647 115.700 -0.874 0.000 2.596 211 S HA 0.749 5.221 4.470 0.004 0.000 0.270 211 S C -1.376 172.783 174.600 -0.736 0.000 1.155 211 S CA -0.926 56.888 58.200 -0.644 0.000 0.827 211 S CB 1.630 64.642 63.200 -0.313 0.000 1.130 211 S HN 0.578 nan 8.310 nan 0.000 0.467 212 I N 1.601 121.917 120.570 -0.424 0.000 2.468 212 I HA 0.319 4.491 4.170 0.004 0.000 0.285 212 I C -1.174 174.905 176.117 -0.063 0.000 1.039 212 I CA -0.663 60.488 61.300 -0.248 0.000 1.074 212 I CB 1.818 39.704 38.000 -0.190 0.000 1.228 212 I HN 0.600 nan 8.210 nan 0.000 0.436 213 D N 4.887 125.301 120.400 0.022 0.000 2.488 213 D HA 0.181 4.823 4.640 0.004 0.000 0.238 213 D C 1.265 177.671 176.300 0.177 0.000 1.138 213 D CA 1.436 55.498 54.000 0.104 0.000 0.873 213 D CB 0.911 41.832 40.800 0.202 0.000 1.183 213 D HN 0.917 nan 8.370 nan 0.000 0.458 214 G N 1.471 110.293 108.800 0.036 0.000 2.189 214 G HA2 -0.274 3.688 3.960 0.004 0.000 0.267 214 G HA3 -0.274 3.688 3.960 0.004 0.000 0.267 214 G C 0.132 174.789 174.900 -0.405 0.000 0.975 214 G CA 0.694 45.694 45.100 -0.166 0.000 0.644 214 G HN 0.673 nan 8.290 nan 0.000 0.537 215 H N -0.067 118.901 119.070 -0.171 0.000 2.797 215 H HA 0.708 5.266 4.556 0.004 0.000 0.372 215 H C -0.030 175.227 175.328 -0.118 0.000 1.168 215 H CA -0.671 55.296 56.048 -0.136 0.000 1.163 215 H CB 1.272 30.960 29.762 -0.123 0.000 1.778 215 H HN 0.362 nan 8.280 nan 0.000 0.551 216 E N 1.000 121.215 120.200 0.024 0.000 2.232 216 E HA 0.462 4.814 4.350 0.004 0.000 0.265 216 E C -0.723 175.856 176.600 -0.034 0.000 1.001 216 E CA -0.862 55.514 56.400 -0.039 0.000 0.870 216 E CB 1.847 31.521 29.700 -0.043 0.000 1.175 216 E HN 0.296 nan 8.360 nan 0.000 0.407 217 L N 1.515 122.661 121.223 -0.128 0.000 2.318 217 L HA 0.315 4.657 4.340 0.004 0.000 0.277 217 L C -0.489 176.364 176.870 -0.029 0.000 1.008 217 L CA -0.573 54.153 54.840 -0.189 0.000 0.846 217 L CB 1.441 43.176 42.059 -0.541 0.000 1.220 217 L HN 0.400 nan 8.230 nan 0.000 0.423 218 T N 4.412 119.042 114.554 0.128 0.000 2.875 218 T HA 0.420 4.773 4.350 0.004 0.000 0.307 218 T C 0.455 175.233 174.700 0.129 0.000 1.013 218 T CA -0.221 61.928 62.100 0.083 0.000 0.970 218 T CB -0.171 68.742 68.868 0.076 0.000 0.986 218 T HN 0.273 nan 8.240 nan 0.000 0.536 219 I N 4.507 125.141 120.570 0.108 0.000 2.598 219 I HA 0.136 4.309 4.170 0.004 0.000 0.284 219 I C 1.370 177.561 176.117 0.125 0.000 1.140 219 I CA 0.289 61.689 61.300 0.166 0.000 1.420 219 I CB 0.563 38.670 38.000 0.179 0.000 1.387 219 I HN 0.677 nan 8.210 nan 0.000 0.553 220 I N 1.671 122.300 120.570 0.098 0.000 4.557 220 I HA 0.443 4.615 4.170 0.004 0.000 0.333 220 I C 0.278 176.490 176.117 0.158 0.000 1.332 220 I CA -0.069 61.235 61.300 0.007 0.000 1.240 220 I CB 0.555 38.401 38.000 -0.257 0.000 1.312 220 I HN 0.526 nan 8.210 nan 0.000 0.457 221 E N 1.593 121.877 120.200 0.140 0.000 2.343 221 E HA 0.575 4.927 4.350 0.004 0.000 0.278 221 E C -1.892 174.739 176.600 0.051 0.000 0.910 221 E CA -0.560 55.897 56.400 0.095 0.000 0.757 221 E CB 3.699 33.415 29.700 0.027 0.000 1.218 221 E HN 0.009 nan 8.360 nan 0.000 0.435 222 V N 3.480 123.380 119.914 -0.025 0.000 2.525 222 V HA 0.204 4.326 4.120 0.004 0.000 0.299 222 V C -0.938 175.037 176.094 -0.198 0.000 1.034 222 V CA -0.766 61.422 62.300 -0.186 0.000 0.863 222 V CB 1.670 33.440 31.823 -0.088 0.000 0.999 222 V HN 0.886 nan 8.190 nan 0.000 0.423 223 D N 3.965 124.195 120.400 -0.283 0.000 2.704 223 D HA -0.175 4.467 4.640 0.004 0.000 0.232 223 D C 1.314 177.562 176.300 -0.086 0.000 1.183 223 D CA 1.848 55.752 54.000 -0.160 0.000 0.647 223 D CB -1.097 39.660 40.800 -0.072 0.000 1.013 223 D HN 1.526 nan 8.370 nan 0.000 0.415 224 G N -0.635 108.018 108.800 -0.246 0.000 2.179 224 G HA2 -0.317 3.646 3.960 0.004 0.000 0.257 224 G HA3 -0.317 3.646 3.960 0.004 0.000 0.257 224 G C -0.180 174.808 174.900 0.146 0.000 1.010 224 G CA 0.401 45.376 45.100 -0.208 0.000 0.736 224 G HN 0.430 nan 8.290 nan 0.000 0.513 225 E N -0.112 120.127 120.200 0.065 0.000 2.241 225 E HA 0.450 4.802 4.350 0.004 0.000 0.263 225 E C 0.647 177.296 176.600 0.082 0.000 0.882 225 E CA -0.731 55.725 56.400 0.093 0.000 0.769 225 E CB 1.572 31.314 29.700 0.069 0.000 1.185 225 E HN 0.303 nan 8.360 nan 0.000 0.415 226 L N 2.028 123.314 121.223 0.104 0.000 2.467 226 L HA 0.229 4.572 4.340 0.004 0.000 0.270 226 L C 1.010 177.982 176.870 0.170 0.000 1.205 226 L CA 0.267 55.197 54.840 0.149 0.000 0.828 226 L CB 0.276 42.392 42.059 0.095 0.000 1.101 226 L HN 0.588 nan 8.230 nan 0.000 0.479 227 T N -1.658 113.046 114.554 0.249 0.000 2.907 227 T HA 0.393 4.745 4.350 0.004 0.000 0.290 227 T C -0.370 174.508 174.700 0.297 0.000 1.066 227 T CA -1.097 61.136 62.100 0.221 0.000 1.012 227 T CB 1.569 70.541 68.868 0.173 0.000 1.184 227 T HN 0.489 nan 8.240 nan 0.000 0.522 228 E N 1.777 122.120 120.200 0.238 0.000 2.415 228 E HA 0.215 4.567 4.350 0.004 0.000 0.262 228 E C -2.363 174.350 176.600 0.189 0.000 1.038 228 E CA -1.569 54.973 56.400 0.236 0.000 0.921 228 E CB 0.061 29.887 29.700 0.210 0.000 0.950 228 E HN 0.409 nan 8.360 nan 0.000 0.438 229 P HA -0.007 nan 4.420 nan 0.000 0.266 229 P C -1.037 176.359 177.300 0.159 0.000 1.215 229 P CA 0.554 63.695 63.100 0.068 0.000 0.763 229 P CB 0.295 31.996 31.700 0.002 0.000 0.806 230 H N 1.511 120.606 119.070 0.041 0.000 2.823 230 H HA 0.431 4.989 4.556 0.003 0.000 0.332 230 H C -0.914 174.425 175.328 0.018 0.000 0.980 230 H CA -0.315 55.755 56.048 0.036 0.000 1.286 230 H CB 0.844 30.624 29.762 0.030 0.000 1.541 230 H HN 0.109 nan 8.280 nan 0.000 0.521 231 T N 5.818 120.154 114.554 -0.363 0.000 2.795 231 T HA 0.520 4.872 4.350 0.004 0.000 0.282 231 T C -0.238 174.219 174.700 -0.406 0.000 0.980 231 T CA -0.263 61.668 62.100 -0.281 0.000 1.012 231 T CB 0.582 69.372 68.868 -0.131 0.000 0.936 231 T HN 0.527 nan 8.240 nan 0.000 0.457 232 V N 0.450 120.192 119.914 -0.286 0.000 3.158 232 V HA 0.643 4.765 4.120 0.004 0.000 0.311 232 V C -0.297 175.696 176.094 -0.169 0.000 1.181 232 V CA -0.798 61.367 62.300 -0.226 0.000 1.054 232 V CB 2.338 34.041 31.823 -0.201 0.000 1.085 232 V HN 0.653 nan 8.190 nan 0.000 0.446 233 D N -0.060 120.257 120.400 -0.137 0.000 2.388 233 D HA 0.224 4.867 4.640 0.004 0.000 0.208 233 D C 0.552 176.763 176.300 -0.147 0.000 1.035 233 D CA 0.550 54.471 54.000 -0.131 0.000 0.875 233 D CB 1.098 41.839 40.800 -0.099 0.000 0.984 233 D HN 0.592 nan 8.370 nan 0.000 0.508 234 R N 0.603 121.026 120.500 -0.128 0.000 2.604 234 R HA 0.414 4.756 4.340 0.004 0.000 0.270 234 R C -2.005 174.241 176.300 -0.091 0.000 1.052 234 R CA -0.638 55.398 56.100 -0.107 0.000 0.902 234 R CB 1.364 31.617 30.300 -0.079 0.000 1.233 234 R HN -0.064 nan 8.270 nan 0.000 0.455 235 L N -0.124 121.058 121.223 -0.067 0.000 2.424 235 L HA 0.591 4.933 4.340 0.004 0.000 0.258 235 L C -1.141 175.702 176.870 -0.044 0.000 0.995 235 L CA -0.816 53.963 54.840 -0.102 0.000 0.821 235 L CB 1.994 43.883 42.059 -0.283 0.000 1.383 235 L HN 0.631 nan 8.230 nan 0.000 0.410 236 Q N 1.892 121.661 119.800 -0.053 0.000 2.290 236 Q HA 0.651 4.993 4.340 0.004 0.000 0.259 236 Q C -1.422 174.481 176.000 -0.162 0.000 0.941 236 Q CA -0.531 55.194 55.803 -0.130 0.000 0.912 236 Q CB 1.880 30.514 28.738 -0.173 0.000 1.244 236 Q HN 0.851 nan 8.270 nan 0.000 0.441 237 I N 4.191 124.649 120.570 -0.188 0.000 2.406 237 I HA 0.414 4.586 4.170 0.004 0.000 0.290 237 I C -1.453 174.518 176.117 -0.243 0.000 0.999 237 I CA -0.778 60.504 61.300 -0.030 0.000 1.124 237 I CB 0.716 38.793 38.000 0.129 0.000 1.289 237 I HN 0.618 nan 8.210 nan 0.000 0.441 238 F N 3.435 123.436 119.950 0.085 0.000 2.408 238 F HA 0.365 4.894 4.527 0.003 0.000 0.325 238 F C 0.981 176.747 175.800 -0.056 0.000 1.082 238 F CA -0.512 57.492 58.000 0.006 0.000 1.032 238 F CB 1.052 40.071 39.000 0.032 0.000 1.259 238 F HN 0.466 nan 8.300 nan 0.000 0.503 239 T N -0.706 113.908 114.554 0.100 0.000 2.765 239 T HA 0.262 4.614 4.350 0.004 0.000 0.275 239 T C 1.064 175.614 174.700 -0.251 0.000 1.007 239 T CA 0.278 62.331 62.100 -0.078 0.000 1.175 239 T CB -0.301 68.557 68.868 -0.017 0.000 0.993 239 T HN 1.368 nan 8.240 nan 0.000 0.510 240 G N 2.550 111.052 108.800 -0.497 0.000 2.168 240 G HA2 -0.260 3.702 3.960 0.004 0.000 0.263 240 G HA3 -0.260 3.702 3.960 0.004 0.000 0.263 240 G C 0.000 174.660 174.900 -0.400 0.000 0.977 240 G CA 0.469 45.198 45.100 -0.620 0.000 0.659 240 G HN 0.973 nan 8.290 nan 0.000 0.533 241 Q N -0.773 118.879 119.800 -0.247 0.000 2.312 241 Q HA 0.716 5.058 4.340 0.004 0.000 0.236 241 Q C 0.304 176.121 176.000 -0.306 0.000 0.965 241 Q CA -0.168 55.525 55.803 -0.183 0.000 0.894 241 Q CB 0.703 29.415 28.738 -0.043 0.000 1.225 241 Q HN 0.357 nan 8.270 nan 0.000 0.478 242 R N 0.460 120.739 120.500 -0.369 0.000 2.725 242 R HA 0.518 4.860 4.340 0.004 0.000 0.277 242 R C -1.698 174.303 176.300 -0.499 0.000 0.987 242 R CA -0.519 55.369 56.100 -0.352 0.000 0.901 242 R CB 1.372 31.484 30.300 -0.313 0.000 1.207 242 R HN 0.488 nan 8.270 nan 0.000 0.463 243 Y N -0.510 119.720 120.300 -0.118 0.000 2.421 243 Y HA 0.457 5.010 4.550 0.004 0.000 0.339 243 Y C -0.321 175.541 175.900 -0.063 0.000 0.996 243 Y CA -0.646 57.427 58.100 -0.044 0.000 1.046 243 Y CB 2.740 41.217 38.460 0.028 0.000 1.226 243 Y HN 0.452 nan 8.280 nan 0.000 0.445 244 S N 4.264 120.010 115.700 0.077 0.000 2.480 244 S HA 0.657 5.130 4.470 0.004 0.000 0.286 244 S C -1.082 173.564 174.600 0.078 0.000 1.180 244 S CA -0.623 57.544 58.200 -0.054 0.000 1.075 244 S CB -0.005 63.125 63.200 -0.117 0.000 0.996 244 S HN 0.463 nan 8.310 nan 0.000 0.487 245 F N 0.574 120.501 119.950 -0.039 0.000 2.551 245 F HA 0.767 5.296 4.527 0.004 0.000 0.316 245 F C -0.791 174.988 175.800 -0.036 0.000 1.089 245 F CA -1.399 56.586 58.000 -0.024 0.000 0.915 245 F CB 0.417 39.410 39.000 -0.012 0.000 1.186 245 F HN 0.175 nan 8.300 nan 0.000 0.456 246 V N 4.912 124.901 119.914 0.124 0.000 2.488 246 V HA 0.169 4.291 4.120 0.004 0.000 0.277 246 V C -0.035 176.204 176.094 0.242 0.000 1.046 246 V CA -0.555 61.795 62.300 0.083 0.000 0.986 246 V CB 1.249 33.142 31.823 0.117 0.000 0.989 246 V HN 0.770 nan 8.190 nan 0.000 0.475 247 L N 5.095 126.438 121.223 0.199 0.000 2.280 247 L HA 0.519 4.861 4.340 0.004 0.000 0.287 247 L C -0.545 176.474 176.870 0.249 0.000 1.023 247 L CA -0.111 54.897 54.840 0.279 0.000 0.819 247 L CB 1.398 43.599 42.059 0.236 0.000 1.212 247 L HN 0.651 nan 8.230 nan 0.000 0.420 248 D N 4.747 125.281 120.400 0.225 0.000 2.396 248 D HA 0.284 4.926 4.640 0.004 0.000 0.225 248 D C 0.189 176.630 176.300 0.236 0.000 1.121 248 D CA -0.182 53.930 54.000 0.185 0.000 0.853 248 D CB 1.506 42.382 40.800 0.126 0.000 1.043 248 D HN 0.606 nan 8.370 nan 0.000 0.500 249 A N 4.367 127.324 122.820 0.227 0.000 3.026 249 A HA 0.054 4.376 4.320 0.004 0.000 0.272 249 A C 0.748 178.512 177.584 0.301 0.000 1.782 249 A CA -0.503 51.669 52.037 0.226 0.000 1.451 249 A CB -0.739 18.219 19.000 -0.069 0.000 1.081 249 A HN 0.540 nan 8.150 nan 0.000 0.611 250 N N -0.036 118.804 118.700 0.233 0.000 2.273 250 N HA 0.058 4.800 4.740 0.004 0.000 0.231 250 N C -0.132 175.397 175.510 0.033 0.000 1.134 250 N CA -0.139 52.983 53.050 0.119 0.000 0.856 250 N CB 0.251 38.766 38.487 0.047 0.000 1.068 250 N HN 0.430 nan 8.380 nan 0.000 0.510 251 Q N 0.399 120.218 119.800 0.030 0.000 2.252 251 Q HA 0.541 4.884 4.340 0.004 0.000 0.256 251 Q C -2.522 173.383 176.000 -0.157 0.000 1.020 251 Q CA -1.887 53.814 55.803 -0.170 0.000 0.913 251 Q CB 0.477 28.904 28.738 -0.519 0.000 1.286 251 Q HN 0.111 nan 8.270 nan 0.000 0.480 252 P HA -0.014 nan 4.420 nan 0.000 0.267 252 P C -0.424 176.681 177.300 -0.325 0.000 1.200 252 P CA -0.105 62.915 63.100 -0.133 0.000 0.772 252 P CB 0.336 31.991 31.700 -0.074 0.000 0.855 253 V N 4.030 123.811 119.914 -0.222 0.000 2.475 253 V HA 0.049 4.171 4.120 0.004 0.000 0.292 253 V C 0.611 176.575 176.094 -0.218 0.000 1.003 253 V CA 1.499 63.684 62.300 -0.192 0.000 1.120 253 V CB -0.694 31.144 31.823 0.024 0.000 0.937 253 V HN 0.695 nan 8.190 nan 0.000 0.476 254 D N 3.375 123.619 120.400 -0.261 0.000 0.000 254 D HA 0.210 4.852 4.640 0.004 0.000 0.000 254 D C -1.284 174.821 176.300 -0.325 0.000 0.000 254 D CA -0.655 53.133 54.000 -0.354 0.000 0.000 254 D CB 1.327 41.753 40.800 -0.622 0.000 0.000 254 D HN 0.389 nan 8.370 nan 0.000 0.000 255 N N 0.581 118.993 118.700 -0.480 0.000 2.421 255 N HA 0.396 5.138 4.740 0.004 0.000 0.285 255 N C -1.094 174.010 175.510 -0.676 0.000 1.027 255 N CA -0.072 52.742 53.050 -0.394 0.000 0.918 255 N CB 1.189 39.444 38.487 -0.386 0.000 1.152 255 N HN 0.254 nan 8.380 nan 0.000 0.485 256 Y N -0.130 120.053 120.300 -0.195 0.000 2.391 256 Y HA 0.292 4.845 4.550 0.004 0.000 0.341 256 Y C -0.271 175.529 175.900 -0.166 0.000 0.965 256 Y CA -0.931 57.073 58.100 -0.159 0.000 1.067 256 Y CB 1.221 39.697 38.460 0.027 0.000 1.199 256 Y HN 0.433 nan 8.280 nan 0.000 0.450 257 W N 4.254 125.568 121.300 0.023 0.000 2.210 257 W HA 0.388 5.050 4.660 0.003 0.000 0.330 257 W C -0.387 176.061 176.519 -0.118 0.000 1.334 257 W CA -0.170 57.130 57.345 -0.075 0.000 1.227 257 W CB 0.421 29.783 29.460 -0.163 0.000 1.178 257 W HN 0.262 nan 8.180 nan 0.000 0.560 258 I N 4.397 125.070 120.570 0.172 0.000 2.331 258 I HA 0.326 4.498 4.170 0.004 0.000 0.292 258 I C 0.190 176.249 176.117 -0.098 0.000 0.998 258 I CA -0.740 60.533 61.300 -0.046 0.000 1.267 258 I CB 0.786 38.799 38.000 0.022 0.000 1.386 258 I HN 0.299 nan 8.210 nan 0.000 0.476 259 R N 5.108 125.423 120.500 -0.309 0.000 2.494 259 R HA 0.770 5.112 4.340 0.004 0.000 0.305 259 R C -0.909 175.344 176.300 -0.079 0.000 0.959 259 R CA -0.740 55.242 56.100 -0.196 0.000 0.864 259 R CB 2.141 32.182 30.300 -0.432 0.000 1.159 259 R HN 0.705 nan 8.270 nan 0.000 0.446 260 A N 3.203 126.122 122.820 0.166 0.000 2.605 260 A HA 0.191 4.513 4.320 0.004 0.000 0.293 260 A C -0.933 176.845 177.584 0.324 0.000 1.216 260 A CA -0.540 51.597 52.037 0.166 0.000 0.742 260 A CB 1.095 20.015 19.000 -0.132 0.000 1.170 260 A HN 0.689 nan 8.150 nan 0.000 0.443 261 Q N 4.168 124.173 119.800 0.343 0.000 2.331 261 Q HA 0.397 4.739 4.340 0.004 0.000 0.257 261 Q C -2.432 173.671 176.000 0.171 0.000 0.957 261 Q CA -2.210 53.679 55.803 0.144 0.000 0.923 261 Q CB 1.736 30.483 28.738 0.016 0.000 1.212 261 Q HN 0.497 nan 8.270 nan 0.000 0.443 262 P HA 0.004 nan 4.420 nan 0.000 0.274 262 P C -0.457 176.701 177.300 -0.237 0.000 1.246 262 P CA -0.088 62.845 63.100 -0.278 0.000 0.795 262 P CB 0.721 32.253 31.700 -0.279 0.000 1.006 263 N N 0.881 119.401 118.700 -0.299 0.000 2.422 263 N HA -0.046 4.696 4.740 0.004 0.000 0.181 263 N C 0.266 175.681 175.510 -0.158 0.000 1.080 263 N CA 0.536 53.472 53.050 -0.190 0.000 0.893 263 N CB -0.022 38.364 38.487 -0.167 0.000 0.973 263 N HN 0.528 nan 8.380 nan 0.000 0.456 264 K N -2.040 118.250 120.400 -0.184 0.000 2.533 264 K HA 0.753 5.076 4.320 0.004 0.000 0.272 264 K C -0.765 175.749 176.600 -0.143 0.000 0.985 264 K CA -0.926 55.278 56.287 -0.139 0.000 0.876 264 K CB 2.096 34.527 32.500 -0.116 0.000 1.452 264 K HN -0.023 nan 8.250 nan 0.000 0.439 265 G N 0.682 109.411 108.800 -0.118 0.000 2.358 265 G HA2 0.197 4.159 3.960 0.004 0.000 0.301 265 G HA3 0.197 4.159 3.960 0.004 0.000 0.301 265 G C -1.689 173.148 174.900 -0.104 0.000 1.539 265 G CA -1.148 43.880 45.100 -0.120 0.000 0.893 265 G HN 0.467 nan 8.290 nan 0.000 0.636 266 R N 0.207 120.639 120.500 -0.112 0.000 2.539 266 R HA 0.319 4.662 4.340 0.004 0.000 0.275 266 R C 0.622 176.880 176.300 -0.070 0.000 1.077 266 R CA 0.225 56.268 56.100 -0.096 0.000 1.097 266 R CB 0.167 30.392 30.300 -0.125 0.000 1.018 266 R HN 0.778 nan 8.270 nan 0.000 0.483 267 N N 0.694 119.362 118.700 -0.054 0.000 2.735 267 N HA -0.231 4.511 4.740 0.004 0.000 0.248 267 N C 0.408 175.890 175.510 -0.047 0.000 1.083 267 N CA 0.358 53.386 53.050 -0.037 0.000 0.703 267 N CB -0.721 37.760 38.487 -0.010 0.000 1.005 267 N HN 1.056 nan 8.380 nan 0.000 0.550 268 G N -0.924 107.838 108.800 -0.062 0.000 2.143 268 G HA2 -0.349 3.613 3.960 0.004 0.000 0.249 268 G HA3 -0.349 3.613 3.960 0.004 0.000 0.249 268 G C 0.806 175.645 174.900 -0.102 0.000 0.981 268 G CA 0.380 45.434 45.100 -0.076 0.000 0.665 268 G HN 0.399 nan 8.290 nan 0.000 0.528 269 L N 0.664 121.828 121.223 -0.100 0.000 2.081 269 L HA 0.217 4.559 4.340 0.004 0.000 0.212 269 L C 2.879 179.651 176.870 -0.163 0.000 1.080 269 L CA 3.203 57.970 54.840 -0.120 0.000 0.754 269 L CB -0.494 41.510 42.059 -0.091 0.000 0.893 269 L HN 0.748 nan 8.230 nan 0.000 0.433 270 A N -1.200 121.532 122.820 -0.146 0.000 2.121 270 A HA 0.086 4.408 4.320 0.004 0.000 0.218 270 A C 1.971 179.445 177.584 -0.184 0.000 1.154 270 A CA 1.177 53.119 52.037 -0.158 0.000 0.679 270 A CB -0.909 18.014 19.000 -0.129 0.000 0.795 270 A HN 0.528 nan 8.150 nan 0.000 0.458 271 G N -2.349 106.341 108.800 -0.183 0.000 3.519 271 G HA2 0.423 4.385 3.960 0.004 0.000 0.269 271 G HA3 0.423 4.385 3.960 0.004 0.000 0.269 271 G C 0.136 174.908 174.900 -0.213 0.000 1.028 271 G CA 0.810 45.808 45.100 -0.171 0.000 0.809 271 G HN 0.409 nan 8.290 nan 0.000 0.521 272 T N -1.393 112.962 114.554 -0.331 0.000 2.816 272 T HA 0.540 4.892 4.350 0.004 0.000 0.299 272 T C -1.152 173.184 174.700 -0.605 0.000 1.230 272 T CA -0.453 61.455 62.100 -0.320 0.000 1.007 272 T CB 1.178 69.946 68.868 -0.166 0.000 1.289 272 T HN -0.079 nan 8.240 nan 0.000 0.508 273 F N 1.196 121.058 119.950 -0.148 0.000 2.772 273 F HA 0.555 5.084 4.527 0.003 0.000 0.316 273 F C 1.260 176.914 175.800 -0.244 0.000 1.114 273 F CA -0.522 57.341 58.000 -0.227 0.000 1.191 273 F CB 0.295 39.094 39.000 -0.335 0.000 1.065 273 F HN 0.647 nan 8.300 nan 0.000 0.534 274 A N 0.743 123.533 122.820 -0.050 0.000 2.540 274 A HA 0.180 4.502 4.320 0.004 0.000 0.239 274 A C 1.049 178.589 177.584 -0.072 0.000 1.061 274 A CA 0.173 52.175 52.037 -0.058 0.000 0.758 274 A CB -0.191 18.781 19.000 -0.047 0.000 0.991 274 A HN 0.554 nan 8.150 nan 0.000 0.502 275 N N 0.491 119.154 118.700 -0.062 0.000 2.741 275 N HA -0.221 4.522 4.740 0.004 0.000 0.251 275 N C 0.849 176.325 175.510 -0.056 0.000 1.112 275 N CA 2.295 55.319 53.050 -0.043 0.000 0.750 275 N CB -1.564 36.898 38.487 -0.042 0.000 1.119 275 N HN 2.185 nan 8.380 nan 0.000 0.561 276 G N -1.700 107.017 108.800 -0.139 0.000 2.136 276 G HA2 -0.278 3.684 3.960 0.004 0.000 0.242 276 G HA3 -0.278 3.684 3.960 0.004 0.000 0.242 276 G C 0.262 175.107 174.900 -0.091 0.000 0.989 276 G CA 0.743 45.740 45.100 -0.171 0.000 0.682 276 G HN 1.238 nan 8.290 nan 0.000 0.522 277 V N -2.871 116.996 119.914 -0.078 0.000 3.051 277 V HA 0.616 4.738 4.120 0.004 0.000 0.306 277 V C 1.121 177.202 176.094 -0.022 0.000 1.083 277 V CA 0.138 62.412 62.300 -0.044 0.000 1.104 277 V CB 1.098 32.883 31.823 -0.062 0.000 1.027 277 V HN 0.651 nan 8.190 nan 0.000 0.483 278 N N 0.841 119.544 118.700 0.004 0.000 2.725 278 N HA -0.170 4.572 4.740 0.004 0.000 0.249 278 N C -0.058 175.532 175.510 0.133 0.000 1.103 278 N CA 1.361 54.440 53.050 0.050 0.000 0.707 278 N CB -1.369 37.082 38.487 -0.060 0.000 1.043 278 N HN 0.954 nan 8.380 nan 0.000 0.553 279 S N -1.186 114.551 115.700 0.062 0.000 2.564 279 S HA 0.922 5.394 4.470 0.004 0.000 0.274 279 S C -0.213 174.460 174.600 0.123 0.000 1.124 279 S CA -0.125 58.113 58.200 0.064 0.000 0.869 279 S CB 2.849 65.981 63.200 -0.114 0.000 1.105 279 S HN 0.507 nan 8.310 nan 0.000 0.472 280 A N 1.365 124.298 122.820 0.187 0.000 2.552 280 A HA 0.922 5.245 4.320 0.004 0.000 0.288 280 A C -1.682 176.035 177.584 0.222 0.000 1.193 280 A CA -0.705 51.432 52.037 0.167 0.000 0.713 280 A CB 0.874 19.919 19.000 0.075 0.000 1.305 280 A HN 0.707 nan 8.150 nan 0.000 0.424 281 I N 0.531 121.156 120.570 0.092 0.000 2.436 281 I HA 0.340 4.512 4.170 0.004 0.000 0.289 281 I C -1.139 174.967 176.117 -0.019 0.000 1.010 281 I CA -0.629 60.670 61.300 -0.002 0.000 1.098 281 I CB 1.836 39.782 38.000 -0.090 0.000 1.266 281 I HN 0.519 nan 8.210 nan 0.000 0.434 282 L N 7.417 128.636 121.223 -0.007 0.000 2.261 282 L HA 0.429 4.771 4.340 0.004 0.000 0.289 282 L C -0.092 176.816 176.870 0.064 0.000 1.059 282 L CA 0.102 54.940 54.840 -0.003 0.000 0.816 282 L CB 0.418 42.468 42.059 -0.015 0.000 1.191 282 L HN 0.558 nan 8.230 nan 0.000 0.431 283 R N 3.941 124.449 120.500 0.014 0.000 2.343 283 R HA 0.362 4.704 4.340 0.004 0.000 0.320 283 R C -1.391 174.974 176.300 0.107 0.000 0.956 283 R CA -0.592 55.545 56.100 0.061 0.000 0.836 283 R CB 0.698 30.989 30.300 -0.014 0.000 1.151 283 R HN 0.500 nan 8.270 nan 0.000 0.450 284 Y N 2.244 122.553 120.300 0.015 0.000 2.359 284 Y HA 0.246 4.798 4.550 0.003 0.000 0.330 284 Y C 0.745 176.649 175.900 0.007 0.000 1.143 284 Y CA -0.159 57.960 58.100 0.031 0.000 1.318 284 Y CB 1.287 39.805 38.460 0.096 0.000 1.234 284 Y HN 0.709 nan 8.280 nan 0.000 0.522 285 A N 2.306 125.190 122.820 0.107 0.000 2.548 285 A HA 0.400 4.723 4.320 0.004 0.000 0.247 285 A C 1.372 179.013 177.584 0.095 0.000 1.067 285 A CA 0.915 52.995 52.037 0.071 0.000 0.757 285 A CB -0.973 18.055 19.000 0.047 0.000 0.996 285 A HN 1.471 nan 8.150 nan 0.000 0.504 286 G N 0.912 109.746 108.800 0.057 0.000 2.254 286 G HA2 0.165 4.128 3.960 0.004 0.000 0.225 286 G HA3 0.165 4.128 3.960 0.004 0.000 0.225 286 G C 0.671 175.585 174.900 0.024 0.000 1.003 286 G CA 0.408 45.533 45.100 0.042 0.000 0.622 286 G HN 2.134 nan 8.290 nan 0.000 0.507 287 A N 0.557 123.398 122.820 0.035 0.000 2.296 287 A HA 0.886 5.208 4.320 0.004 0.000 0.264 287 A C 1.033 178.597 177.584 -0.034 0.000 1.097 287 A CA 1.078 53.107 52.037 -0.013 0.000 0.811 287 A CB 0.342 19.335 19.000 -0.011 0.000 1.072 287 A HN 2.085 nan 8.150 nan 0.000 0.495 288 A N 0.434 123.216 122.820 -0.065 0.000 2.313 288 A HA 0.403 4.725 4.320 0.004 0.000 0.261 288 A C 0.535 178.078 177.584 -0.068 0.000 1.090 288 A CA -0.413 51.587 52.037 -0.063 0.000 0.807 288 A CB -0.041 18.913 19.000 -0.076 0.000 1.055 288 A HN 0.797 nan 8.150 nan 0.000 0.492 289 N N 0.549 119.216 118.700 -0.055 0.000 2.739 289 N HA 0.444 5.186 4.740 0.004 0.000 0.266 289 N C -0.545 174.925 175.510 -0.066 0.000 1.168 289 N CA 0.836 53.854 53.050 -0.054 0.000 1.055 289 N CB -0.300 38.165 38.487 -0.037 0.000 1.393 289 N HN 0.828 nan 8.380 nan 0.000 0.514 290 A N 1.829 124.591 122.820 -0.097 0.000 2.610 290 A HA 0.412 4.734 4.320 0.004 0.000 0.291 290 A C -1.177 176.296 177.584 -0.186 0.000 1.086 290 A CA -0.847 51.123 52.037 -0.113 0.000 0.677 290 A CB 0.830 19.762 19.000 -0.113 0.000 1.278 290 A HN 0.372 nan 8.150 nan 0.000 0.414 291 D N 1.445 121.733 120.400 -0.187 0.000 2.362 291 D HA 0.467 5.110 4.640 0.004 0.000 0.242 291 D C -2.266 173.718 176.300 -0.528 0.000 1.132 291 D CA -0.553 53.231 54.000 -0.360 0.000 0.907 291 D CB 0.341 41.062 40.800 -0.131 0.000 1.195 291 D HN 0.207 nan 8.370 nan 0.000 0.429 292 P HA 0.087 nan 4.420 nan 0.000 0.270 292 P C 0.356 177.294 177.300 -0.603 0.000 1.223 292 P CA 0.005 62.508 63.100 -0.995 0.000 0.785 292 P CB 0.419 31.138 31.700 -1.635 0.000 0.923 293 T N -4.135 110.219 114.554 -0.333 0.000 3.288 293 T HA 0.172 4.524 4.350 0.004 0.000 0.293 293 T C 0.407 175.099 174.700 -0.014 0.000 1.008 293 T CA -0.385 61.679 62.100 -0.060 0.000 0.929 293 T CB -1.042 67.783 68.868 -0.071 0.000 1.152 293 T HN 0.450 nan 8.240 nan 0.000 0.517 294 T N 0.113 114.635 114.554 -0.053 0.000 2.828 294 T HA 0.656 5.008 4.350 0.004 0.000 0.290 294 T C -0.040 174.758 174.700 0.165 0.000 1.019 294 T CA -0.522 61.597 62.100 0.031 0.000 1.031 294 T CB 1.298 70.173 68.868 0.012 0.000 1.001 294 T HN 0.162 nan 8.240 nan 0.000 0.531 295 S N 0.076 115.828 115.700 0.087 0.000 2.568 295 S HA 0.730 5.203 4.470 0.004 0.000 0.293 295 S C 0.052 174.653 174.600 0.002 0.000 1.089 295 S CA -0.820 57.402 58.200 0.038 0.000 0.945 295 S CB 1.527 64.733 63.200 0.010 0.000 1.077 295 S HN 1.146 nan 8.310 nan 0.000 0.485 296 A N 2.179 124.961 122.820 -0.064 0.000 2.425 296 A HA 0.338 4.660 4.320 0.004 0.000 0.242 296 A C 0.470 178.024 177.584 -0.051 0.000 1.077 296 A CA -0.272 51.716 52.037 -0.082 0.000 0.781 296 A CB -0.140 18.779 19.000 -0.136 0.000 1.020 296 A HN 0.738 nan 8.150 nan 0.000 0.494 297 N N 1.604 120.272 118.700 -0.054 0.000 2.447 297 N HA 0.071 4.813 4.740 0.004 0.000 0.263 297 N C -1.499 173.988 175.510 -0.040 0.000 1.226 297 N CA -1.447 51.577 53.050 -0.044 0.000 0.906 297 N CB 0.875 39.329 38.487 -0.054 0.000 1.060 297 N HN 0.335 nan 8.380 nan 0.000 0.468 298 P HA 0.013 nan 4.420 nan 0.000 0.237 298 P C -0.376 176.912 177.300 -0.020 0.000 1.178 298 P CA 0.652 63.739 63.100 -0.022 0.000 0.766 298 P CB 0.281 31.971 31.700 -0.017 0.000 0.876 299 N N 0.374 119.059 118.700 -0.024 0.000 2.711 299 N HA 0.195 4.937 4.740 0.004 0.000 0.263 299 N C -2.750 172.744 175.510 -0.028 0.000 1.667 299 N CA -1.831 51.207 53.050 -0.021 0.000 0.785 299 N CB 0.483 38.960 38.487 -0.018 0.000 1.231 299 N HN -0.074 nan 8.380 nan 0.000 0.503 300 P HA 0.240 nan 4.420 nan 0.000 0.274 300 P C -0.692 176.585 177.300 -0.038 0.000 1.231 300 P CA -0.429 62.644 63.100 -0.044 0.000 0.790 300 P CB 1.084 32.753 31.700 -0.052 0.000 0.951 301 A N 2.259 125.049 122.820 -0.049 0.000 2.347 301 A HA 0.246 4.568 4.320 0.004 0.000 0.287 301 A C 0.360 177.916 177.584 -0.047 0.000 1.199 301 A CA -0.179 51.832 52.037 -0.043 0.000 0.851 301 A CB -0.338 18.626 19.000 -0.061 0.000 1.118 301 A HN 0.536 nan 8.150 nan 0.000 0.525 302 Q N 2.271 122.058 119.800 -0.022 0.000 2.256 302 Q HA 0.483 4.825 4.340 0.004 0.000 0.254 302 Q C -0.500 175.504 176.000 0.006 0.000 0.916 302 Q CA -0.568 55.225 55.803 -0.017 0.000 0.932 302 Q CB 1.088 29.826 28.738 -0.001 0.000 1.207 302 Q HN 0.737 nan 8.270 nan 0.000 0.426 303 L N 4.118 125.336 121.223 -0.008 0.000 2.525 303 L HA 0.193 4.535 4.340 0.004 0.000 0.278 303 L C -0.934 175.975 176.870 0.065 0.000 1.218 303 L CA 0.887 55.749 54.840 0.037 0.000 0.878 303 L CB 0.204 42.244 42.059 -0.033 0.000 1.127 303 L HN 0.780 nan 8.230 nan 0.000 0.492 304 N N 3.154 121.907 118.700 0.089 0.000 2.399 304 N HA 0.143 4.885 4.740 0.004 0.000 0.280 304 N C 0.370 175.900 175.510 0.034 0.000 1.008 304 N CA -0.335 52.751 53.050 0.060 0.000 0.894 304 N CB 1.256 39.770 38.487 0.045 0.000 1.273 304 N HN 0.810 nan 8.380 nan 0.000 0.486 305 E N 2.940 123.174 120.200 0.057 0.000 2.160 305 E HA -0.170 4.182 4.350 0.004 0.000 0.195 305 E C 1.077 177.653 176.600 -0.039 0.000 0.991 305 E CA 1.290 57.720 56.400 0.050 0.000 0.810 305 E CB 0.084 29.839 29.700 0.092 0.000 0.742 305 E HN 0.708 nan 8.360 nan 0.000 0.466 306 A N 0.648 123.439 122.820 -0.048 0.000 2.172 306 A HA -0.129 4.193 4.320 0.004 0.000 0.216 306 A C 1.332 178.816 177.584 -0.167 0.000 1.154 306 A CA 1.220 53.210 52.037 -0.077 0.000 0.701 306 A CB -0.035 18.941 19.000 -0.040 0.000 0.789 306 A HN 0.200 nan 8.150 nan 0.000 0.465 307 D N -0.557 119.692 120.400 -0.252 0.000 2.348 307 D HA 0.137 4.779 4.640 0.004 0.000 0.211 307 D C 0.340 176.093 176.300 -0.912 0.000 0.998 307 D CA 0.266 53.983 54.000 -0.472 0.000 0.873 307 D CB 0.048 40.601 40.800 -0.412 0.000 0.925 307 D HN 0.376 nan 8.370 nan 0.000 0.524 308 L N 0.942 121.783 121.223 -0.636 0.000 2.331 308 L HA 0.254 4.596 4.340 0.004 0.000 0.278 308 L C -0.234 176.289 176.870 -0.577 0.000 1.106 308 L CA -0.056 54.489 54.840 -0.491 0.000 0.824 308 L CB 0.635 42.620 42.059 -0.124 0.000 1.142 308 L HN -0.078 nan 8.230 nan 0.000 0.443 309 H N 1.510 120.578 119.070 -0.003 0.000 2.589 309 H HA 0.511 5.069 4.556 0.004 0.000 0.351 309 H C -0.078 175.285 175.328 0.059 0.000 1.074 309 H CA -0.780 55.283 56.048 0.025 0.000 1.203 309 H CB 1.654 31.427 29.762 0.018 0.000 1.558 309 H HN 0.763 nan 8.280 nan 0.000 0.522 310 A N 2.364 125.289 122.820 0.176 0.000 2.520 310 A HA 0.056 4.378 4.320 0.004 0.000 0.235 310 A C 0.888 178.552 177.584 0.132 0.000 1.065 310 A CA -0.110 52.006 52.037 0.132 0.000 0.764 310 A CB 0.243 19.306 19.000 0.105 0.000 1.002 310 A HN 0.756 nan 8.150 nan 0.000 0.502 311 L N 2.465 123.758 121.223 0.117 0.000 2.189 311 L HA 0.274 4.617 4.340 0.004 0.000 0.199 311 L C 0.420 177.327 176.870 0.062 0.000 1.074 311 L CA 1.061 55.960 54.840 0.098 0.000 0.783 311 L CB -0.020 42.093 42.059 0.091 0.000 0.955 311 L HN 0.611 nan 8.230 nan 0.000 0.460 312 I N 1.458 122.060 120.570 0.052 0.000 2.359 312 I HA 0.222 4.394 4.170 0.004 0.000 0.294 312 I C -0.429 175.716 176.117 0.046 0.000 0.987 312 I CA -0.449 60.875 61.300 0.040 0.000 1.225 312 I CB 0.632 38.651 38.000 0.032 0.000 1.366 312 I HN 0.255 nan 8.210 nan 0.000 0.466 313 D N 6.612 127.037 120.400 0.041 0.000 2.735 313 D HA -0.146 4.496 4.640 0.004 0.000 0.235 313 D C -1.513 174.819 176.300 0.053 0.000 1.175 313 D CA 0.185 54.211 54.000 0.042 0.000 0.683 313 D CB -0.513 40.310 40.800 0.038 0.000 1.008 313 D HN 0.452 nan 8.370 nan 0.000 0.416 314 P HA -0.075 nan 4.420 nan 0.000 0.221 314 P C 0.569 177.917 177.300 0.079 0.000 1.150 314 P CA 0.928 64.071 63.100 0.072 0.000 0.800 314 P CB 0.280 32.021 31.700 0.069 0.000 0.787 315 A N 0.502 123.366 122.820 0.073 0.000 2.462 315 A HA 0.433 4.755 4.320 0.004 0.000 0.243 315 A C 0.700 178.347 177.584 0.104 0.000 1.076 315 A CA 0.006 52.097 52.037 0.090 0.000 0.773 315 A CB -0.286 18.758 19.000 0.073 0.000 1.010 315 A HN 0.298 nan 8.150 nan 0.000 0.493 316 A N 3.954 126.864 122.820 0.150 0.000 2.386 316 A HA 0.595 4.917 4.320 0.004 0.000 0.248 316 A C -1.962 175.704 177.584 0.136 0.000 1.082 316 A CA -1.178 50.959 52.037 0.166 0.000 0.789 316 A CB -0.452 18.706 19.000 0.263 0.000 1.025 316 A HN 0.718 nan 8.150 nan 0.000 0.490 317 P HA 0.456 nan 4.420 nan 0.000 0.272 317 P C 0.537 177.849 177.300 0.020 0.000 1.223 317 P CA 1.282 64.404 63.100 0.037 0.000 0.784 317 P CB 0.555 32.255 31.700 -0.000 0.000 0.923 318 G N 1.311 110.096 108.800 -0.025 0.000 2.760 318 G HA2 -0.188 3.774 3.960 0.004 0.000 0.246 318 G HA3 -0.188 3.774 3.960 0.004 0.000 0.246 318 G C -0.460 174.372 174.900 -0.113 0.000 1.359 318 G CA -0.675 44.384 45.100 -0.068 0.000 0.861 318 G HN 0.566 nan 8.290 nan 0.000 0.541 319 I N 2.412 122.887 120.570 -0.159 0.000 2.668 319 I HA 0.154 4.326 4.170 0.004 0.000 0.285 319 I C -1.125 174.735 176.117 -0.429 0.000 1.168 319 I CA -1.020 60.146 61.300 -0.225 0.000 1.424 319 I CB 1.007 38.893 38.000 -0.191 0.000 1.377 319 I HN 0.297 nan 8.210 nan 0.000 0.560 320 P HA 0.104 nan 4.420 nan 0.000 0.225 320 P C -0.743 175.837 177.300 -1.200 0.000 1.768 320 P CA -0.001 62.450 63.100 -1.081 0.000 0.943 320 P CB -0.206 31.229 31.700 -0.442 0.000 1.936 321 T N 1.784 115.701 114.554 -1.062 0.000 2.991 321 T HA 0.355 4.707 4.350 0.004 0.000 0.303 321 T C -2.934 171.526 174.700 -0.400 0.000 1.015 321 T CA -1.704 60.060 62.100 -0.560 0.000 1.007 321 T CB 1.729 70.407 68.868 -0.316 0.000 1.034 321 T HN -0.078 nan 8.240 nan 0.000 0.446 322 P HA 0.247 nan 4.420 nan 0.000 0.262 322 P C 1.045 178.263 177.300 -0.136 0.000 1.182 322 P CA 0.941 63.920 63.100 -0.201 0.000 0.761 322 P CB 0.213 31.585 31.700 -0.547 0.000 0.795 323 G N 2.713 111.471 108.800 -0.071 0.000 2.148 323 G HA2 -0.224 3.738 3.960 0.004 0.000 0.254 323 G HA3 -0.224 3.738 3.960 0.004 0.000 0.254 323 G C 0.667 175.511 174.900 -0.094 0.000 0.981 323 G CA 0.147 45.204 45.100 -0.072 0.000 0.670 323 G HN 0.774 nan 8.290 nan 0.000 0.528 324 A N -0.719 122.028 122.820 -0.121 0.000 2.500 324 A HA 0.846 5.168 4.320 0.004 0.000 0.267 324 A C 1.354 178.862 177.584 -0.127 0.000 1.290 324 A CA 1.379 53.336 52.037 -0.134 0.000 0.928 324 A CB -0.103 18.790 19.000 -0.179 0.000 1.066 324 A HN 1.980 nan 8.150 nan 0.000 0.516 325 A N -0.290 122.463 122.820 -0.110 0.000 2.310 325 A HA 0.373 4.695 4.320 0.004 0.000 0.260 325 A C 0.832 178.348 177.584 -0.114 0.000 1.112 325 A CA 0.129 52.097 52.037 -0.115 0.000 0.804 325 A CB 0.240 19.166 19.000 -0.124 0.000 1.081 325 A HN 0.319 nan 8.150 nan 0.000 0.499 326 D N -0.990 119.337 120.400 -0.122 0.000 2.144 326 D HA -0.008 4.634 4.640 0.004 0.000 0.200 326 D C 0.089 176.325 176.300 -0.107 0.000 0.978 326 D CA 1.480 55.417 54.000 -0.106 0.000 0.833 326 D CB -0.009 40.727 40.800 -0.107 0.000 0.961 326 D HN 0.152 nan 8.370 nan 0.000 0.470 327 V N 2.183 122.013 119.914 -0.141 0.000 2.407 327 V HA 0.244 4.366 4.120 0.004 0.000 0.291 327 V C -0.479 175.525 176.094 -0.149 0.000 1.018 327 V CA -0.811 61.408 62.300 -0.135 0.000 0.842 327 V CB 1.871 33.596 31.823 -0.163 0.000 0.996 327 V HN 0.007 nan 8.190 nan 0.000 0.426 328 N N 6.136 124.764 118.700 -0.120 0.000 2.524 328 N HA 0.556 5.298 4.740 0.004 0.000 0.261 328 N C -1.223 174.198 175.510 -0.149 0.000 0.998 328 N CA -0.302 52.675 53.050 -0.123 0.000 0.915 328 N CB 2.404 40.834 38.487 -0.096 0.000 1.187 328 N HN 0.493 nan 8.380 nan 0.000 0.507 329 L N 1.528 122.632 121.223 -0.198 0.000 2.341 329 L HA 0.536 4.878 4.340 0.004 0.000 0.278 329 L C 0.374 176.982 176.870 -0.436 0.000 1.005 329 L CA -0.734 53.889 54.840 -0.361 0.000 0.818 329 L CB 2.342 44.128 42.059 -0.455 0.000 1.259 329 L HN 0.224 nan 8.230 nan 0.000 0.418 330 R N 2.567 122.780 120.500 -0.477 0.000 2.387 330 R HA 0.549 4.891 4.340 0.004 0.000 0.314 330 R C -1.656 174.373 176.300 -0.452 0.000 0.958 330 R CA -0.512 55.394 56.100 -0.325 0.000 0.846 330 R CB 1.027 31.236 30.300 -0.151 0.000 1.147 330 R HN 0.330 nan 8.270 nan 0.000 0.447 331 F N 2.343 122.275 119.950 -0.030 0.000 2.436 331 F HA 0.267 4.796 4.527 0.004 0.000 0.340 331 F C 0.410 176.199 175.800 -0.018 0.000 1.113 331 F CA -0.450 57.532 58.000 -0.030 0.000 1.022 331 F CB 1.925 40.907 39.000 -0.030 0.000 1.128 331 F HN 0.388 nan 8.300 nan 0.000 0.466 332 Q N 4.902 124.824 119.800 0.202 0.000 2.368 332 Q HA 0.471 4.813 4.340 0.004 0.000 0.256 332 Q C -1.240 174.846 176.000 0.143 0.000 0.980 332 Q CA -0.448 55.433 55.803 0.131 0.000 0.887 332 Q CB 0.717 29.517 28.738 0.103 0.000 1.221 332 Q HN 0.681 nan 8.270 nan 0.000 0.458 333 L N 2.748 124.035 121.223 0.106 0.000 2.395 333 L HA 0.709 5.051 4.340 0.004 0.000 0.269 333 L C 0.625 177.581 176.870 0.143 0.000 1.133 333 L CA -0.512 54.397 54.840 0.116 0.000 0.812 333 L CB 1.068 43.159 42.059 0.053 0.000 1.125 333 L HN 0.730 nan 8.230 nan 0.000 0.452 334 G N 1.073 109.987 108.800 0.191 0.000 2.708 334 G HA2 0.648 4.611 3.960 0.004 0.000 0.289 334 G HA3 0.648 4.611 3.960 0.004 0.000 0.289 334 G C -2.162 172.898 174.900 0.267 0.000 1.416 334 G CA -0.312 44.902 45.100 0.189 0.000 0.829 334 G HN 0.338 nan 8.290 nan 0.000 0.480 335 F N 0.924 120.870 119.950 -0.006 0.000 2.831 335 F HA 0.705 5.234 4.527 0.004 0.000 0.346 335 F C -0.524 175.208 175.800 -0.115 0.000 1.224 335 F CA -0.625 57.281 58.000 -0.157 0.000 1.048 335 F CB 1.928 40.749 39.000 -0.298 0.000 1.339 335 F HN 0.537 nan 8.300 nan 0.000 0.514 336 S N 3.184 118.547 115.700 -0.563 0.000 2.546 336 S HA 0.570 5.042 4.470 0.004 0.000 0.272 336 S C 0.061 174.386 174.600 -0.459 0.000 1.140 336 S CA 0.016 57.982 58.200 -0.389 0.000 0.920 336 S CB 1.451 64.555 63.200 -0.160 0.000 1.083 336 S HN 1.693 nan 8.310 nan 0.000 0.476 337 G N 2.143 110.733 108.800 -0.351 0.000 2.273 337 G HA2 0.034 3.997 3.960 0.004 0.000 0.280 337 G HA3 0.034 3.997 3.960 0.004 0.000 0.280 337 G C 1.273 175.965 174.900 -0.347 0.000 1.047 337 G CA 0.916 45.857 45.100 -0.266 0.000 0.869 337 G HN 2.157 nan 8.290 nan 0.000 0.502 338 G N -1.723 106.755 108.800 -0.537 0.000 2.184 338 G HA2 -0.274 3.688 3.960 0.004 0.000 0.264 338 G HA3 -0.274 3.688 3.960 0.004 0.000 0.264 338 G C 0.393 174.952 174.900 -0.569 0.000 0.975 338 G CA 1.175 46.008 45.100 -0.446 0.000 0.642 338 G HN 1.170 nan 8.290 nan 0.000 0.536 339 R N -1.049 118.984 120.500 -0.778 0.000 2.744 339 R HA 0.618 4.960 4.340 0.004 0.000 0.279 339 R C -0.718 175.305 176.300 -0.462 0.000 0.977 339 R CA -0.918 54.925 56.100 -0.428 0.000 0.906 339 R CB 1.122 31.325 30.300 -0.162 0.000 1.197 339 R HN 0.033 nan 8.270 nan 0.000 0.463 340 F N 0.917 120.899 119.950 0.054 0.000 2.418 340 F HA 0.228 4.757 4.527 0.004 0.000 0.341 340 F C 1.186 177.019 175.800 0.054 0.000 1.120 340 F CA 0.453 58.539 58.000 0.143 0.000 1.232 340 F CB 1.292 40.372 39.000 0.133 0.000 1.175 340 F HN 0.437 nan 8.300 nan 0.000 0.569 341 T N 0.747 115.466 114.554 0.274 0.000 2.903 341 T HA 0.763 5.115 4.350 0.004 0.000 0.299 341 T C -0.843 173.971 174.700 0.190 0.000 1.093 341 T CA -0.845 61.363 62.100 0.180 0.000 1.002 341 T CB 1.586 70.517 68.868 0.105 0.000 1.127 341 T HN 0.397 nan 8.240 nan 0.000 0.488 342 I N 2.034 122.712 120.570 0.179 0.000 2.418 342 I HA 0.365 4.537 4.170 0.004 0.000 0.287 342 I C -0.227 176.030 176.117 0.234 0.000 1.008 342 I CA -0.963 60.446 61.300 0.183 0.000 1.104 342 I CB 1.392 39.461 38.000 0.114 0.000 1.264 342 I HN 0.844 nan 8.210 nan 0.000 0.438 343 N N 4.691 123.535 118.700 0.240 0.000 2.727 343 N HA -0.214 4.528 4.740 0.004 0.000 0.249 343 N C 0.879 176.496 175.510 0.179 0.000 1.048 343 N CA 1.325 54.515 53.050 0.234 0.000 0.714 343 N CB -0.717 37.984 38.487 0.357 0.000 0.959 343 N HN 1.146 nan 8.380 nan 0.000 0.544 344 G N -2.992 105.891 108.800 0.138 0.000 2.179 344 G HA2 -0.308 3.654 3.960 0.004 0.000 0.260 344 G HA3 -0.308 3.654 3.960 0.004 0.000 0.260 344 G C 0.161 175.113 174.900 0.086 0.000 0.977 344 G CA 0.602 45.759 45.100 0.095 0.000 0.641 344 G HN 0.523 nan 8.290 nan 0.000 0.533 345 T N 1.090 115.715 114.554 0.119 0.000 2.786 345 T HA 0.701 5.054 4.350 0.004 0.000 0.283 345 T C 0.277 175.050 174.700 0.122 0.000 0.992 345 T CA 0.431 62.593 62.100 0.103 0.000 0.954 345 T CB 1.701 70.638 68.868 0.114 0.000 0.934 345 T HN 1.279 nan 8.240 nan 0.000 0.440 346 A N 3.376 126.248 122.820 0.086 0.000 2.362 346 A HA 0.457 4.779 4.320 0.004 0.000 0.276 346 A C -0.336 177.320 177.584 0.119 0.000 1.153 346 A CA -0.424 51.679 52.037 0.110 0.000 0.813 346 A CB -0.180 18.852 19.000 0.055 0.000 1.081 346 A HN 0.853 nan 8.150 nan 0.000 0.507 347 Y N 2.022 122.366 120.300 0.073 0.000 2.620 347 Y HA 0.240 4.792 4.550 0.004 0.000 0.330 347 Y C 0.351 176.287 175.900 0.060 0.000 1.186 347 Y CA 1.013 59.158 58.100 0.075 0.000 1.467 347 Y CB 0.385 38.902 38.460 0.094 0.000 1.262 347 Y HN 0.708 nan 8.280 nan 0.000 0.550 348 E N 3.698 123.425 120.200 -0.788 0.000 2.263 348 E HA 0.160 4.513 4.350 0.004 0.000 0.268 348 E C -1.194 174.943 176.600 -0.771 0.000 0.884 348 E CA -0.793 55.282 56.400 -0.541 0.000 0.766 348 E CB 1.795 31.343 29.700 -0.254 0.000 1.196 348 E HN 0.580 nan 8.360 nan 0.000 0.416 349 S N 3.623 119.050 115.700 -0.455 0.000 2.537 349 S HA 0.154 4.627 4.470 0.004 0.000 0.286 349 S C -1.900 172.601 174.600 -0.165 0.000 1.299 349 S CA -1.020 57.041 58.200 -0.231 0.000 1.067 349 S CB 0.272 63.489 63.200 0.028 0.000 0.864 349 S HN 0.285 nan 8.310 nan 0.000 0.494 350 P HA 0.216 nan 4.420 nan 0.000 0.276 350 P C 0.514 177.790 177.300 -0.041 0.000 1.252 350 P CA -0.505 62.544 63.100 -0.084 0.000 0.802 350 P CB 0.910 32.566 31.700 -0.073 0.000 1.035 351 S N 0.080 115.760 115.700 -0.032 0.000 2.428 351 S HA 0.017 4.489 4.470 0.004 0.000 0.230 351 S C 0.779 175.366 174.600 -0.022 0.000 1.014 351 S CA 0.408 58.601 58.200 -0.011 0.000 0.957 351 S CB -0.461 62.730 63.200 -0.015 0.000 0.784 351 S HN 0.281 nan 8.310 nan 0.000 0.499 352 V N 4.319 124.209 119.914 -0.040 0.000 2.495 352 V HA 0.478 4.600 4.120 0.004 0.000 0.298 352 V C -2.469 173.589 176.094 -0.060 0.000 1.031 352 V CA -2.410 59.855 62.300 -0.057 0.000 0.871 352 V CB 1.673 33.466 31.823 -0.050 0.000 0.988 352 V HN 0.221 nan 8.190 nan 0.000 0.432 353 P HA 0.104 nan 4.420 nan 0.000 0.268 353 P C 0.941 178.224 177.300 -0.028 0.000 1.205 353 P CA 0.113 63.174 63.100 -0.065 0.000 0.771 353 P CB 0.651 32.306 31.700 -0.076 0.000 0.858 354 T N 2.322 116.845 114.554 -0.051 0.000 2.653 354 T HA -0.232 4.120 4.350 0.004 0.000 0.268 354 T C 1.700 176.402 174.700 0.003 0.000 1.035 354 T CA 1.539 63.614 62.100 -0.042 0.000 1.154 354 T CB -0.709 68.104 68.868 -0.092 0.000 0.862 354 T HN 0.299 nan 8.240 nan 0.000 0.441 355 L N 0.550 121.797 121.223 0.041 0.000 2.083 355 L HA 0.053 4.396 4.340 0.004 0.000 0.209 355 L C 2.156 179.170 176.870 0.239 0.000 1.083 355 L CA 1.386 56.287 54.840 0.101 0.000 0.752 355 L CB -0.739 41.388 42.059 0.112 0.000 0.899 355 L HN 0.172 nan 8.230 nan 0.000 0.433 356 L N -0.751 120.662 121.223 0.317 0.000 2.093 356 L HA -0.170 4.172 4.340 0.004 0.000 0.208 356 L C 2.453 179.381 176.870 0.096 0.000 1.085 356 L CA 1.596 56.579 54.840 0.239 0.000 0.755 356 L CB -0.665 41.389 42.059 -0.008 0.000 0.904 356 L HN 0.415 nan 8.230 nan 0.000 0.435 357 Q N -0.625 119.204 119.800 0.048 0.000 2.096 357 Q HA -0.220 4.123 4.340 0.004 0.000 0.204 357 Q C 2.233 178.251 176.000 0.030 0.000 0.982 357 Q CA 2.173 57.989 55.803 0.021 0.000 0.850 357 Q CB -0.222 28.518 28.738 0.003 0.000 0.901 357 Q HN 0.565 nan 8.270 nan 0.000 0.422 358 I N 0.316 120.908 120.570 0.038 0.000 2.286 358 I HA -0.226 3.946 4.170 0.004 0.000 0.245 358 I C 2.217 178.358 176.117 0.040 0.000 1.104 358 I CA 0.768 62.086 61.300 0.030 0.000 1.397 358 I CB -0.188 37.821 38.000 0.015 0.000 1.072 358 I HN 0.262 nan 8.210 nan 0.000 0.417 359 M N -0.444 119.197 119.600 0.069 0.000 2.374 359 M HA -0.092 4.390 4.480 0.004 0.000 0.264 359 M C 2.078 178.413 176.300 0.058 0.000 1.067 359 M CA 1.267 56.610 55.300 0.072 0.000 1.103 359 M CB -0.871 31.804 32.600 0.126 0.000 1.402 359 M HN 0.090 nan 8.290 nan 0.000 0.444 360 S N -0.084 115.646 115.700 0.050 0.000 2.496 360 S HA 0.231 4.703 4.470 0.004 0.000 0.224 360 S C 1.547 176.159 174.600 0.021 0.000 0.996 360 S CA 0.936 59.154 58.200 0.031 0.000 0.927 360 S CB 0.328 63.540 63.200 0.019 0.000 0.774 360 S HN 0.779 nan 8.310 nan 0.000 0.524 361 G N 0.426 109.239 108.800 0.021 0.000 2.870 361 G HA2 0.059 4.021 3.960 0.004 0.000 0.216 361 G HA3 0.059 4.021 3.960 0.004 0.000 0.216 361 G C 0.084 174.993 174.900 0.014 0.000 0.973 361 G CA -0.308 44.802 45.100 0.016 0.000 0.807 361 G HN 0.617 nan 8.290 nan 0.000 0.573 362 A N 0.453 123.282 122.820 0.015 0.000 2.522 362 A HA 0.578 4.900 4.320 0.004 0.000 0.256 362 A C 1.104 178.698 177.584 0.017 0.000 1.086 362 A CA 1.135 53.180 52.037 0.013 0.000 0.763 362 A CB 0.336 19.343 19.000 0.011 0.000 1.024 362 A HN 0.452 nan 8.150 nan 0.000 0.502 363 Q N 1.020 120.830 119.800 0.016 0.000 2.373 363 Q HA 0.079 4.421 4.340 0.004 0.000 0.210 363 Q C 0.741 176.755 176.000 0.024 0.000 0.913 363 Q CA 0.988 56.803 55.803 0.019 0.000 0.911 363 Q CB 0.266 29.014 28.738 0.016 0.000 1.040 363 Q HN 0.950 nan 8.270 nan 0.000 0.521 364 S N -2.277 113.436 115.700 0.022 0.000 2.697 364 S HA 0.640 5.112 4.470 0.004 0.000 0.289 364 S C 0.445 175.060 174.600 0.024 0.000 1.149 364 S CA -0.379 57.838 58.200 0.027 0.000 0.850 364 S CB 1.325 64.538 63.200 0.023 0.000 1.151 364 S HN 0.052 nan 8.310 nan 0.000 0.491 365 A N 1.270 124.108 122.820 0.031 0.000 2.019 365 A HA -0.046 4.276 4.320 0.004 0.000 0.219 365 A C 1.802 179.383 177.584 -0.006 0.000 1.164 365 A CA 1.405 53.454 52.037 0.020 0.000 0.644 365 A CB -1.132 17.884 19.000 0.028 0.000 0.805 365 A HN 0.785 nan 8.150 nan 0.000 0.449 366 N N 0.670 119.368 118.700 -0.003 0.000 2.289 366 N HA -0.112 4.631 4.740 0.004 0.000 0.184 366 N C 0.449 175.953 175.510 -0.010 0.000 1.016 366 N CA 1.368 54.411 53.050 -0.011 0.000 0.872 366 N CB -0.263 38.221 38.487 -0.004 0.000 0.973 366 N HN 0.441 nan 8.380 nan 0.000 0.433 367 D N 0.184 120.581 120.400 -0.004 0.000 2.349 367 D HA 0.096 4.738 4.640 0.004 0.000 0.215 367 D C 0.513 176.809 176.300 -0.008 0.000 1.016 367 D CA 0.169 54.166 54.000 -0.004 0.000 0.870 367 D CB 0.451 41.252 40.800 0.002 0.000 0.917 367 D HN 0.219 nan 8.370 nan 0.000 0.524 368 L N 0.802 122.019 121.223 -0.009 0.000 2.357 368 L HA 0.386 4.728 4.340 0.004 0.000 0.273 368 L C 0.117 176.974 176.870 -0.022 0.000 1.080 368 L CA -0.607 54.226 54.840 -0.012 0.000 0.803 368 L CB 1.542 43.598 42.059 -0.004 0.000 1.174 368 L HN -0.284 nan 8.230 nan 0.000 0.443 369 L N 3.092 124.300 121.223 -0.025 0.000 2.330 369 L HA 0.574 4.916 4.340 0.004 0.000 0.271 369 L C -2.292 174.556 176.870 -0.038 0.000 1.013 369 L CA -1.944 52.874 54.840 -0.037 0.000 0.816 369 L CB 2.056 44.090 42.059 -0.042 0.000 1.287 369 L HN 0.353 nan 8.230 nan 0.000 0.435 370 P HA 0.198 nan 4.420 nan 0.000 0.284 370 P C -0.780 176.494 177.300 -0.044 0.000 1.253 370 P CA -0.493 62.565 63.100 -0.070 0.000 0.800 370 P CB 1.196 32.812 31.700 -0.140 0.000 0.961 371 A N 2.322 125.116 122.820 -0.045 0.000 2.567 371 A HA 0.376 4.698 4.320 0.004 0.000 0.240 371 A C 1.552 179.116 177.584 -0.033 0.000 1.053 371 A CA 0.968 52.980 52.037 -0.041 0.000 0.755 371 A CB -1.563 17.417 19.000 -0.034 0.000 0.978 371 A HN 0.930 nan 8.150 nan 0.000 0.507 372 G N 1.322 110.090 108.800 -0.054 0.000 2.205 372 G HA2 -0.253 3.709 3.960 0.004 0.000 0.261 372 G HA3 -0.253 3.709 3.960 0.004 0.000 0.261 372 G C 0.892 175.797 174.900 0.007 0.000 0.980 372 G CA 0.820 45.901 45.100 -0.032 0.000 0.632 372 G HN 1.301 nan 8.290 nan 0.000 0.533 373 S N -1.024 114.686 115.700 0.017 0.000 2.540 373 S HA 0.449 4.921 4.470 0.004 0.000 0.222 373 S C 0.504 175.168 174.600 0.107 0.000 1.008 373 S CA 0.499 58.790 58.200 0.153 0.000 0.939 373 S CB 1.338 64.698 63.200 0.267 0.000 0.865 373 S HN 0.494 nan 8.310 nan 0.000 0.499 374 V N 2.420 122.286 119.914 -0.080 0.000 2.398 374 V HA 0.460 4.582 4.120 0.004 0.000 0.286 374 V C -1.336 174.629 176.094 -0.215 0.000 1.026 374 V CA -0.585 61.693 62.300 -0.036 0.000 0.868 374 V CB 0.811 32.630 31.823 -0.007 0.000 0.982 374 V HN 0.320 nan 8.190 nan 0.000 0.443 375 Y N 2.319 122.707 120.300 0.147 0.000 2.326 375 Y HA 0.417 4.970 4.550 0.004 0.000 0.331 375 Y C 0.383 176.486 175.900 0.339 0.000 0.962 375 Y CA -0.553 57.707 58.100 0.266 0.000 1.167 375 Y CB 1.586 40.279 38.460 0.388 0.000 1.148 375 Y HN 0.682 nan 8.280 nan 0.000 0.463 376 E N 3.882 124.278 120.200 0.328 0.000 2.354 376 E HA 0.482 4.834 4.350 0.004 0.000 0.269 376 E C -1.399 175.368 176.600 0.279 0.000 1.036 376 E CA -0.233 56.325 56.400 0.264 0.000 0.876 376 E CB 0.705 30.497 29.700 0.153 0.000 1.009 376 E HN 0.618 nan 8.360 nan 0.000 0.416 377 L N 5.591 126.951 121.223 0.228 0.000 2.370 377 L HA 0.541 4.883 4.340 0.004 0.000 0.266 377 L C -2.151 174.775 176.870 0.093 0.000 1.002 377 L CA -2.302 52.616 54.840 0.130 0.000 0.818 377 L CB 1.932 44.034 42.059 0.071 0.000 1.325 377 L HN 0.572 nan 8.230 nan 0.000 0.418 378 P HA 0.180 nan 4.420 nan 0.000 0.277 378 P C -1.198 176.122 177.300 0.033 0.000 1.271 378 P CA -0.741 62.380 63.100 0.034 0.000 0.795 378 P CB 0.850 32.554 31.700 0.007 0.000 1.101 379 R N 1.351 121.873 120.500 0.036 0.000 2.390 379 R HA 0.129 4.471 4.340 0.004 0.000 0.291 379 R C 0.657 176.966 176.300 0.014 0.000 1.070 379 R CA -0.157 55.968 56.100 0.041 0.000 1.014 379 R CB -0.458 29.869 30.300 0.046 0.000 1.007 379 R HN 0.699 nan 8.270 nan 0.000 0.466 380 N N 2.990 121.698 118.700 0.014 0.000 2.727 380 N HA -0.197 4.545 4.740 0.004 0.000 0.251 380 N C -1.296 174.191 175.510 -0.039 0.000 1.040 380 N CA 0.440 53.487 53.050 -0.005 0.000 0.712 380 N CB 0.017 38.508 38.487 0.006 0.000 0.912 380 N HN 0.642 nan 8.380 nan 0.000 0.545 381 Q N -0.108 119.647 119.800 -0.076 0.000 2.458 381 Q HA 0.477 4.819 4.340 0.004 0.000 0.282 381 Q C -0.397 175.492 176.000 -0.185 0.000 1.106 381 Q CA -0.684 55.052 55.803 -0.112 0.000 0.814 381 Q CB 2.367 31.039 28.738 -0.111 0.000 1.425 381 Q HN 0.126 nan 8.270 nan 0.000 0.437 382 V N 1.420 121.221 119.914 -0.189 0.000 2.383 382 V HA 0.328 4.450 4.120 0.004 0.000 0.275 382 V C -0.076 175.820 176.094 -0.331 0.000 1.036 382 V CA -0.517 61.635 62.300 -0.246 0.000 0.889 382 V CB 1.380 33.108 31.823 -0.158 0.000 0.985 382 V HN 0.431 nan 8.190 nan 0.000 0.459 383 V N 4.724 124.301 119.914 -0.563 0.000 2.483 383 V HA 0.476 4.598 4.120 0.004 0.000 0.295 383 V C -0.057 175.753 176.094 -0.473 0.000 1.035 383 V CA -0.563 61.361 62.300 -0.625 0.000 0.896 383 V CB 1.800 32.950 31.823 -1.122 0.000 0.986 383 V HN 0.964 nan 8.190 nan 0.000 0.447 384 E N 4.364 124.398 120.200 -0.275 0.000 2.199 384 E HA 0.630 4.982 4.350 0.004 0.000 0.265 384 E C -1.725 174.805 176.600 -0.115 0.000 0.882 384 E CA -0.616 55.701 56.400 -0.138 0.000 0.759 384 E CB 1.579 31.247 29.700 -0.053 0.000 1.148 384 E HN 0.614 nan 8.360 nan 0.000 0.412 385 L N 4.064 125.248 121.223 -0.064 0.000 2.341 385 L HA 0.551 4.893 4.340 0.004 0.000 0.278 385 L C -0.860 176.015 176.870 0.008 0.000 1.005 385 L CA -1.197 53.631 54.840 -0.020 0.000 0.818 385 L CB 1.908 43.977 42.059 0.015 0.000 1.259 385 L HN 0.343 nan 8.230 nan 0.000 0.418 386 V N 3.944 123.862 119.914 0.006 0.000 2.409 386 V HA 0.388 4.510 4.120 0.004 0.000 0.291 386 V C -0.138 175.978 176.094 0.037 0.000 1.020 386 V CA -0.547 61.765 62.300 0.019 0.000 0.848 386 V CB 2.092 33.924 31.823 0.014 0.000 0.990 386 V HN 0.470 nan 8.190 nan 0.000 0.430 387 V N 6.760 126.683 119.914 0.014 0.000 2.315 387 V HA 0.309 4.431 4.120 0.004 0.000 0.265 387 V C -2.491 173.569 176.094 -0.057 0.000 1.019 387 V CA -1.725 60.560 62.300 -0.026 0.000 0.824 387 V CB 1.222 32.940 31.823 -0.175 0.000 1.072 387 V HN 0.711 nan 8.190 nan 0.000 0.448 388 P HA 0.236 nan 4.420 nan 0.000 0.265 388 P C 0.157 177.457 177.300 -0.000 0.000 1.193 388 P CA 0.490 63.588 63.100 -0.003 0.000 0.765 388 P CB 0.778 32.488 31.700 0.016 0.000 0.823 389 A N 2.542 125.371 122.820 0.016 0.000 2.259 389 A HA 0.676 4.998 4.320 0.004 0.000 0.278 389 A C 1.307 178.932 177.584 0.069 0.000 1.107 389 A CA 0.488 52.558 52.037 0.055 0.000 0.828 389 A CB -0.268 18.767 19.000 0.058 0.000 1.111 389 A HN 0.714 nan 8.150 nan 0.000 0.498 390 G N -1.968 106.896 108.800 0.106 0.000 3.345 390 G HA2 0.000 3.962 3.960 0.004 0.000 0.199 390 G HA3 0.000 3.962 3.960 0.004 0.000 0.199 390 G C 0.370 175.347 174.900 0.128 0.000 1.057 390 G CA 0.211 45.368 45.100 0.094 0.000 0.865 390 G HN 1.648 nan 8.290 nan 0.000 0.449 391 V N 4.203 124.214 119.914 0.162 0.000 2.788 391 V HA 0.448 4.570 4.120 0.004 0.000 0.307 391 V C 1.327 177.598 176.094 0.295 0.000 1.069 391 V CA 0.081 62.506 62.300 0.208 0.000 1.173 391 V CB 0.284 32.229 31.823 0.204 0.000 0.925 391 V HN 0.965 nan 8.190 nan 0.000 0.492 392 L N 5.424 126.756 121.223 0.181 0.000 2.482 392 L HA 0.630 4.972 4.340 0.004 0.000 0.273 392 L C 1.297 178.301 176.870 0.223 0.000 1.228 392 L CA 0.763 55.662 54.840 0.098 0.000 0.827 392 L CB -0.812 41.182 42.059 -0.109 0.000 1.099 392 L HN 1.123 nan 8.230 nan 0.000 0.494 393 G N -0.528 108.319 108.800 0.079 0.000 2.157 393 G HA2 -0.111 3.851 3.960 0.004 0.000 0.248 393 G HA3 -0.111 3.851 3.960 0.004 0.000 0.248 393 G C 0.491 175.295 174.900 -0.159 0.000 0.979 393 G CA 0.055 45.204 45.100 0.082 0.000 0.650 393 G HN 1.257 nan 8.290 nan 0.000 0.529 394 G N 0.200 108.810 108.800 -0.316 0.000 2.611 394 G HA2 0.597 4.559 3.960 0.004 0.000 0.273 394 G HA3 0.597 4.559 3.960 0.004 0.000 0.273 394 G C -1.360 173.432 174.900 -0.180 0.000 1.305 394 G CA -0.144 44.640 45.100 -0.528 0.000 1.010 394 G HN 0.350 nan 8.290 nan 0.000 0.509 395 P HA 0.210 nan 4.420 nan 0.000 0.276 395 P C -0.837 176.348 177.300 -0.190 0.000 1.230 395 P CA -0.131 62.894 63.100 -0.125 0.000 0.776 395 P CB 0.632 32.315 31.700 -0.029 0.000 0.888 396 H N 3.508 122.619 119.070 0.069 0.000 2.604 396 H HA 0.281 4.839 4.556 0.003 0.000 0.306 396 H C -2.164 173.224 175.328 0.101 0.000 1.075 396 H CA -1.821 54.300 56.048 0.121 0.000 1.357 396 H CB 0.796 30.692 29.762 0.224 0.000 1.426 396 H HN 0.234 nan 8.280 nan 0.000 0.470 397 P HA 0.170 nan 4.420 nan 0.000 0.285 397 P C -0.565 176.852 177.300 0.195 0.000 1.448 397 P CA -0.403 62.763 63.100 0.111 0.000 0.953 397 P CB -0.018 31.744 31.700 0.104 0.000 1.175 398 F N 2.994 122.941 119.950 -0.005 0.000 2.384 398 F HA 0.365 4.894 4.527 0.004 0.000 0.338 398 F C 1.312 177.174 175.800 0.104 0.000 1.103 398 F CA 0.165 58.094 58.000 -0.118 0.000 1.157 398 F CB 0.800 39.585 39.000 -0.359 0.000 1.167 398 F HN 0.387 nan 8.300 nan 0.000 0.529 399 H N 2.839 121.875 119.070 -0.056 0.000 2.538 399 H HA 0.643 5.201 4.556 0.003 0.000 0.353 399 H C -1.947 173.557 175.328 0.294 0.000 1.109 399 H CA -1.221 54.942 56.048 0.192 0.000 1.192 399 H CB 1.624 31.533 29.762 0.244 0.000 1.555 399 H HN 0.562 nan 8.280 nan 0.000 0.518 400 L N 5.221 126.634 121.223 0.317 0.000 2.296 400 L HA 0.324 4.666 4.340 0.004 0.000 0.286 400 L C -0.747 176.144 176.870 0.036 0.000 1.023 400 L CA -0.259 54.767 54.840 0.311 0.000 0.812 400 L CB 0.788 43.061 42.059 0.358 0.000 1.223 400 L HN 0.819 nan 8.230 nan 0.000 0.421 401 H N 3.625 122.637 119.070 -0.096 0.000 2.547 401 H HA 0.349 4.907 4.556 0.004 0.000 0.362 401 H C 0.951 176.135 175.328 -0.240 0.000 1.181 401 H CA 0.422 56.455 56.048 -0.024 0.000 1.376 401 H CB 1.237 31.132 29.762 0.222 0.000 1.488 401 H HN 0.926 nan 8.280 nan 0.000 0.583 402 G N 1.078 109.593 108.800 -0.474 0.000 2.234 402 G HA2 -0.223 3.740 3.960 0.004 0.000 0.260 402 G HA3 -0.223 3.740 3.960 0.004 0.000 0.260 402 G C 0.089 174.221 174.900 -1.280 0.000 0.987 402 G CA 0.313 44.478 45.100 -1.558 0.000 0.625 402 G HN 0.776 nan 8.290 nan 0.000 0.532 403 H N -0.511 118.250 119.070 -0.515 0.000 3.046 403 H HA 0.660 5.218 4.556 0.004 0.000 0.361 403 H C 0.077 175.232 175.328 -0.288 0.000 1.235 403 H CA -0.110 55.564 56.048 -0.624 0.000 1.146 403 H CB 1.536 30.909 29.762 -0.649 0.000 1.859 403 H HN 0.664 nan 8.280 nan 0.000 0.548 404 A N 1.663 124.365 122.820 -0.198 0.000 2.282 404 A HA 0.705 5.027 4.320 0.004 0.000 0.319 404 A C -0.874 176.653 177.584 -0.095 0.000 1.121 404 A CA -0.434 51.540 52.037 -0.105 0.000 0.836 404 A CB 0.210 19.237 19.000 0.044 0.000 1.146 404 A HN 0.443 nan 8.150 nan 0.000 0.494 405 F N -1.012 118.976 119.950 0.064 0.000 2.620 405 F HA 0.747 5.276 4.527 0.003 0.000 0.320 405 F C 0.032 175.888 175.800 0.094 0.000 1.069 405 F CA -1.166 56.885 58.000 0.086 0.000 0.953 405 F CB 1.168 40.228 39.000 0.100 0.000 1.322 405 F HN 0.281 nan 8.300 nan 0.000 0.479 406 S N 0.864 116.770 115.700 0.343 0.000 2.513 406 S HA 0.491 4.963 4.470 0.004 0.000 0.276 406 S C -0.440 174.332 174.600 0.285 0.000 1.254 406 S CA -0.729 57.612 58.200 0.235 0.000 1.053 406 S CB 1.336 64.632 63.200 0.161 0.000 0.958 406 S HN 0.498 nan 8.310 nan 0.000 0.491 407 V N 5.047 125.102 119.914 0.236 0.000 2.299 407 V HA 0.061 4.183 4.120 0.004 0.000 0.255 407 V C 1.340 177.458 176.094 0.040 0.000 1.100 407 V CA -0.288 62.121 62.300 0.182 0.000 0.938 407 V CB 0.135 32.073 31.823 0.191 0.000 1.139 407 V HN 0.890 nan 8.190 nan 0.000 0.490 408 V N 2.103 122.009 119.914 -0.013 0.000 2.809 408 V HA 0.136 4.259 4.120 0.004 0.000 0.256 408 V C 0.988 176.956 176.094 -0.210 0.000 1.080 408 V CA 0.921 63.111 62.300 -0.183 0.000 1.102 408 V CB -0.486 31.132 31.823 -0.342 0.000 0.705 408 V HN 0.728 nan 8.190 nan 0.000 0.475 409 R N 0.106 120.505 120.500 -0.167 0.000 2.518 409 R HA 0.540 4.882 4.340 0.004 0.000 0.296 409 R C -0.720 175.485 176.300 -0.159 0.000 1.080 409 R CA -0.092 55.823 56.100 -0.308 0.000 0.922 409 R CB 1.932 31.871 30.300 -0.602 0.000 1.184 409 R HN 0.371 nan 8.270 nan 0.000 0.445 410 S N 1.614 117.239 115.700 -0.126 0.000 2.707 410 S HA 0.580 5.053 4.470 0.004 0.000 0.276 410 S C -0.181 174.379 174.600 -0.067 0.000 1.179 410 S CA -0.427 57.737 58.200 -0.059 0.000 0.992 410 S CB 1.421 64.605 63.200 -0.027 0.000 1.030 410 S HN 0.740 nan 8.310 nan 0.000 0.554 411 A N 0.033 122.830 122.820 -0.037 0.000 2.498 411 A HA 0.499 4.821 4.320 0.004 0.000 0.239 411 A C 1.432 179.004 177.584 -0.020 0.000 1.068 411 A CA 0.303 52.322 52.037 -0.031 0.000 0.766 411 A CB -1.111 17.874 19.000 -0.024 0.000 1.003 411 A HN 1.762 nan 8.150 nan 0.000 0.497 412 G N 0.211 109.000 108.800 -0.019 0.000 2.184 412 G HA2 -0.163 3.799 3.960 0.004 0.000 0.264 412 G HA3 -0.163 3.799 3.960 0.004 0.000 0.264 412 G C 0.468 175.354 174.900 -0.023 0.000 0.975 412 G CA 0.885 45.979 45.100 -0.009 0.000 0.642 412 G HN 1.897 nan 8.290 nan 0.000 0.536 413 S N -0.580 115.088 115.700 -0.053 0.000 2.513 413 S HA 0.707 5.180 4.470 0.004 0.000 0.299 413 S C 1.143 175.676 174.600 -0.111 0.000 1.087 413 S CA 0.723 58.879 58.200 -0.073 0.000 1.012 413 S CB 1.775 64.919 63.200 -0.092 0.000 1.044 413 S HN 1.249 nan 8.310 nan 0.000 0.485 414 S N 1.844 117.491 115.700 -0.088 0.000 2.539 414 S HA 0.191 4.663 4.470 0.004 0.000 0.221 414 S C 0.678 175.206 174.600 -0.121 0.000 0.987 414 S CA 0.130 58.278 58.200 -0.087 0.000 0.929 414 S CB -0.435 62.757 63.200 -0.013 0.000 0.832 414 S HN 0.897 nan 8.310 nan 0.000 0.492 415 T N -0.225 114.244 114.554 -0.141 0.000 2.929 415 T HA 0.683 5.035 4.350 0.004 0.000 0.284 415 T C -0.878 173.665 174.700 -0.262 0.000 1.014 415 T CA -0.616 61.442 62.100 -0.071 0.000 1.051 415 T CB 0.757 69.626 68.868 0.002 0.000 1.028 415 T HN 0.185 nan 8.240 nan 0.000 0.485 416 Y N 0.920 121.195 120.300 -0.041 0.000 2.457 416 Y HA 0.622 5.174 4.550 0.003 0.000 0.333 416 Y C 0.483 176.262 175.900 -0.202 0.000 1.119 416 Y CA -1.092 56.898 58.100 -0.183 0.000 1.143 416 Y CB 1.727 40.071 38.460 -0.194 0.000 1.230 416 Y HN 0.739 nan 8.280 nan 0.000 0.469 417 N N 1.519 120.086 118.700 -0.222 0.000 2.519 417 N HA 0.236 4.978 4.740 0.004 0.000 0.286 417 N C -1.319 174.026 175.510 -0.275 0.000 1.079 417 N CA -0.503 52.475 53.050 -0.120 0.000 0.878 417 N CB 0.356 38.839 38.487 -0.007 0.000 1.375 417 N HN 0.500 nan 8.380 nan 0.000 0.514 418 F N 1.737 121.748 119.950 0.102 0.000 2.678 418 F HA 0.231 4.759 4.527 0.003 0.000 0.305 418 F C 1.767 177.600 175.800 0.055 0.000 1.090 418 F CA -0.108 57.937 58.000 0.075 0.000 1.272 418 F CB 0.579 39.607 39.000 0.047 0.000 1.060 418 F HN 0.318 nan 8.300 nan 0.000 0.576 419 V N 0.663 120.686 119.914 0.182 0.000 2.446 419 V HA -0.075 4.047 4.120 0.004 0.000 0.244 419 V C 0.623 176.765 176.094 0.081 0.000 1.039 419 V CA 1.516 63.883 62.300 0.112 0.000 1.045 419 V CB -0.364 31.500 31.823 0.068 0.000 0.681 419 V HN 0.522 nan 8.190 nan 0.000 0.459 420 N N -1.400 117.347 118.700 0.078 0.000 2.581 420 N HA 0.127 4.869 4.740 0.004 0.000 0.274 420 N C -3.147 172.471 175.510 0.179 0.000 1.629 420 N CA -0.981 52.127 53.050 0.096 0.000 0.884 420 N CB 0.056 38.564 38.487 0.036 0.000 1.423 420 N HN 0.244 nan 8.380 nan 0.000 0.507 421 P HA 0.028 nan 4.420 nan 0.000 0.272 421 P C 0.391 177.758 177.300 0.111 0.000 1.230 421 P CA -0.273 62.901 63.100 0.123 0.000 0.788 421 P CB 1.380 33.109 31.700 0.048 0.000 0.949 422 V N 2.426 122.383 119.914 0.072 0.000 2.740 422 V HA 0.024 4.146 4.120 0.004 0.000 0.303 422 V C 0.473 176.607 176.094 0.068 0.000 1.054 422 V CA 0.324 62.659 62.300 0.059 0.000 1.106 422 V CB -0.296 31.544 31.823 0.029 0.000 0.957 422 V HN 0.456 nan 8.190 nan 0.000 0.486 423 K N 6.835 127.263 120.400 0.046 0.000 2.182 423 K HA 0.706 5.028 4.320 0.004 0.000 0.262 423 K C -0.347 176.205 176.600 -0.081 0.000 0.957 423 K CA -0.692 55.597 56.287 0.003 0.000 0.842 423 K CB 1.809 34.322 32.500 0.022 0.000 1.099 423 K HN 0.863 nan 8.250 nan 0.000 0.438 424 R N -0.163 120.165 120.500 -0.288 0.000 2.902 424 R HA 0.262 4.604 4.340 0.004 0.000 0.264 424 R C -1.148 174.711 176.300 -0.734 0.000 1.059 424 R CA -0.640 55.267 56.100 -0.322 0.000 0.935 424 R CB 0.386 30.592 30.300 -0.156 0.000 1.325 424 R HN 0.592 nan 8.270 nan 0.000 0.438 425 D N -0.850 119.345 120.400 -0.341 0.000 2.525 425 D HA 0.212 4.854 4.640 0.004 0.000 0.231 425 D C -0.559 175.921 176.300 0.300 0.000 1.216 425 D CA -0.105 53.763 54.000 -0.221 0.000 0.813 425 D CB 1.030 41.888 40.800 0.097 0.000 1.108 425 D HN 0.162 nan 8.370 nan 0.000 0.524 426 V N 0.923 121.040 119.914 0.339 0.000 2.577 426 V HA 0.600 4.722 4.120 0.004 0.000 0.303 426 V C -1.024 175.307 176.094 0.395 0.000 1.042 426 V CA -1.078 61.497 62.300 0.458 0.000 0.872 426 V CB 2.245 34.270 31.823 0.337 0.000 0.998 426 V HN 0.062 nan 8.190 nan 0.000 0.423 427 V N 4.143 124.311 119.914 0.423 0.000 2.638 427 V HA 0.629 4.752 4.120 0.004 0.000 0.306 427 V C 0.118 176.246 176.094 0.058 0.000 1.052 427 V CA -0.171 62.287 62.300 0.263 0.000 0.885 427 V CB 2.447 34.495 31.823 0.375 0.000 0.999 427 V HN 0.981 nan 8.190 nan 0.000 0.424 428 S N 5.707 121.286 115.700 -0.201 0.000 2.531 428 S HA 0.314 4.786 4.470 0.004 0.000 0.279 428 S C 0.962 175.457 174.600 -0.175 0.000 1.305 428 S CA -0.401 57.544 58.200 -0.426 0.000 1.058 428 S CB 0.629 63.138 63.200 -1.152 0.000 0.899 428 S HN 0.721 nan 8.310 nan 0.000 0.493 429 L N 4.802 125.979 121.223 -0.077 0.000 2.478 429 L HA 0.227 4.569 4.340 0.004 0.000 0.223 429 L C 1.725 178.573 176.870 -0.038 0.000 1.140 429 L CA 0.471 55.288 54.840 -0.039 0.000 0.842 429 L CB -1.547 40.508 42.059 -0.007 0.000 0.953 429 L HN 1.080 nan 8.230 nan 0.000 0.452 430 G N 0.305 109.065 108.800 -0.067 0.000 2.488 430 G HA2 -0.231 3.731 3.960 0.004 0.000 0.237 430 G HA3 -0.231 3.731 3.960 0.004 0.000 0.237 430 G C -0.307 174.599 174.900 0.010 0.000 1.209 430 G CA -0.185 44.897 45.100 -0.029 0.000 0.929 430 G HN 0.251 nan 8.290 nan 0.000 0.578 431 V N -3.338 116.588 119.914 0.019 0.000 3.158 431 V HA 0.878 5.000 4.120 0.004 0.000 0.315 431 V C 0.794 176.907 176.094 0.032 0.000 1.148 431 V CA 0.080 62.399 62.300 0.030 0.000 1.042 431 V CB 1.153 32.992 31.823 0.027 0.000 1.101 431 V HN 1.592 nan 8.190 nan 0.000 0.448 432 T N 1.998 116.574 114.554 0.037 0.000 2.849 432 T HA 0.408 4.760 4.350 0.004 0.000 0.289 432 T C 1.272 175.987 174.700 0.025 0.000 1.010 432 T CA 1.465 63.586 62.100 0.035 0.000 1.161 432 T CB -0.064 68.825 68.868 0.035 0.000 0.989 432 T HN 2.132 nan 8.240 nan 0.000 0.523 433 G N 3.099 111.912 108.800 0.022 0.000 2.259 433 G HA2 -0.187 3.776 3.960 0.004 0.000 0.217 433 G HA3 -0.187 3.776 3.960 0.004 0.000 0.217 433 G C -0.140 174.765 174.900 0.008 0.000 1.001 433 G CA -0.331 44.779 45.100 0.017 0.000 0.627 433 G HN 0.669 nan 8.290 nan 0.000 0.501 434 D N 1.238 121.641 120.400 0.005 0.000 2.341 434 D HA 0.520 5.162 4.640 0.004 0.000 0.245 434 D C 0.479 176.773 176.300 -0.011 0.000 1.106 434 D CA 0.305 54.298 54.000 -0.011 0.000 0.905 434 D CB 0.839 41.632 40.800 -0.012 0.000 1.202 434 D HN 0.474 nan 8.370 nan 0.000 0.426 435 E N 0.796 120.979 120.200 -0.027 0.000 3.626 435 E HA 0.176 4.528 4.350 0.004 0.000 0.245 435 E C -0.783 175.797 176.600 -0.034 0.000 1.236 435 E CA -0.352 56.039 56.400 -0.014 0.000 1.072 435 E CB 1.364 31.072 29.700 0.014 0.000 1.309 435 E HN 0.094 nan 8.360 nan 0.000 0.400 436 V N 1.838 121.728 119.914 -0.040 0.000 2.557 436 V HA -0.013 4.109 4.120 0.004 0.000 0.301 436 V C 0.397 176.477 176.094 -0.022 0.000 1.026 436 V CA 0.959 63.232 62.300 -0.044 0.000 1.137 436 V CB 0.788 32.587 31.823 -0.040 0.000 0.917 436 V HN 0.448 nan 8.190 nan 0.000 0.484 437 T N 7.034 121.579 114.554 -0.015 0.000 2.841 437 T HA 0.672 5.024 4.350 0.004 0.000 0.285 437 T C -0.349 174.366 174.700 0.025 0.000 0.991 437 T CA -0.267 61.852 62.100 0.032 0.000 0.966 437 T CB 1.089 70.036 68.868 0.133 0.000 0.962 437 T HN 0.646 nan 8.240 nan 0.000 0.438 438 I N 0.009 120.579 120.570 -0.001 0.000 2.785 438 I HA 0.814 4.987 4.170 0.004 0.000 0.302 438 I C -0.912 175.242 176.117 0.060 0.000 1.069 438 I CA -1.313 59.994 61.300 0.011 0.000 1.045 438 I CB 2.400 40.240 38.000 -0.266 0.000 1.236 438 I HN 0.348 nan 8.210 nan 0.000 0.429 439 R N 3.281 123.876 120.500 0.159 0.000 2.744 439 R HA 0.770 5.112 4.340 0.004 0.000 0.279 439 R C -1.678 174.759 176.300 0.228 0.000 0.977 439 R CA -0.625 55.536 56.100 0.101 0.000 0.906 439 R CB 2.662 33.013 30.300 0.085 0.000 1.197 439 R HN 0.751 nan 8.270 nan 0.000 0.463 440 F N -1.768 118.123 119.950 -0.098 0.000 2.741 440 F HA 0.610 5.139 4.527 0.004 0.000 0.313 440 F C -1.532 174.143 175.800 -0.209 0.000 1.153 440 F CA -1.211 56.696 58.000 -0.155 0.000 0.931 440 F CB 0.706 39.545 39.000 -0.267 0.000 1.335 440 F HN 0.096 nan 8.300 nan 0.000 0.460 441 V N 0.838 120.701 119.914 -0.085 0.000 2.532 441 V HA 0.434 4.556 4.120 0.004 0.000 0.295 441 V C 0.151 176.224 176.094 -0.035 0.000 1.041 441 V CA -0.420 61.799 62.300 -0.135 0.000 0.926 441 V CB 1.775 33.575 31.823 -0.039 0.000 0.992 441 V HN 0.938 nan 8.190 nan 0.000 0.457 442 T N -0.421 114.086 114.554 -0.079 0.000 4.104 442 T HA 0.147 4.499 4.350 0.004 0.000 0.285 442 T C 0.199 174.987 174.700 0.146 0.000 1.346 442 T CA -0.420 61.728 62.100 0.080 0.000 1.158 442 T CB -0.657 68.214 68.868 0.004 0.000 1.290 442 T HN 0.816 nan 8.240 nan 0.000 0.975 443 D N 0.333 120.862 120.400 0.216 0.000 2.463 443 D HA 0.109 4.751 4.640 0.004 0.000 0.224 443 D C 0.088 176.463 176.300 0.125 0.000 1.174 443 D CA -0.588 53.490 54.000 0.131 0.000 0.829 443 D CB 0.059 40.901 40.800 0.069 0.000 0.993 443 D HN 0.399 nan 8.370 nan 0.000 0.497 444 N N 0.912 119.734 118.700 0.204 0.000 2.653 444 N HA 0.252 4.994 4.740 0.004 0.000 0.261 444 N C -3.050 172.724 175.510 0.440 0.000 1.216 444 N CA -1.560 51.611 53.050 0.203 0.000 0.784 444 N CB 1.548 39.947 38.487 -0.148 0.000 1.327 444 N HN -0.200 nan 8.380 nan 0.000 0.539 445 P HA 0.323 nan 4.420 nan 0.000 0.263 445 P C 0.091 177.505 177.300 0.191 0.000 1.195 445 P CA 0.577 63.821 63.100 0.240 0.000 0.762 445 P CB 0.535 32.318 31.700 0.138 0.000 0.799 446 G N 3.841 112.678 108.800 0.062 0.000 2.347 446 G HA2 0.162 4.124 3.960 0.004 0.000 0.321 446 G HA3 0.162 4.124 3.960 0.004 0.000 0.321 446 G C -3.464 171.098 174.900 -0.563 0.000 1.412 446 G CA -0.933 43.983 45.100 -0.308 0.000 0.990 446 G HN 0.252 nan 8.290 nan 0.000 0.637 447 P HA 0.460 nan 4.420 nan 0.000 0.287 447 P C -1.193 175.723 177.300 -0.641 0.000 1.294 447 P CA -0.046 62.792 63.100 -0.436 0.000 0.776 447 P CB 0.320 31.863 31.700 -0.261 0.000 0.889 448 W N 3.185 124.556 121.300 0.117 0.000 2.739 448 W HA 0.381 5.043 4.660 0.004 0.000 0.331 448 W C -0.130 176.458 176.519 0.114 0.000 1.049 448 W CA -0.836 56.574 57.345 0.108 0.000 1.234 448 W CB 1.162 30.759 29.460 0.229 0.000 1.404 448 W HN 0.220 nan 8.180 nan 0.000 0.477 449 F N 3.072 122.984 119.950 -0.062 0.000 2.506 449 F HA 0.278 4.808 4.527 0.004 0.000 0.351 449 F C -0.234 175.646 175.800 0.132 0.000 1.136 449 F CA -0.975 56.922 58.000 -0.173 0.000 1.298 449 F CB 0.316 38.944 39.000 -0.620 0.000 1.145 449 F HN 0.101 nan 8.300 nan 0.000 0.593 450 F N 5.211 125.273 119.950 0.186 0.000 2.659 450 F HA 0.396 4.925 4.527 0.003 0.000 0.342 450 F C -1.082 174.661 175.800 -0.094 0.000 1.168 450 F CA -0.578 57.441 58.000 0.032 0.000 1.003 450 F CB 0.331 39.361 39.000 0.050 0.000 1.267 450 F HN 0.651 nan 8.300 nan 0.000 0.463 451 H N 1.628 120.264 119.070 -0.724 0.000 2.981 451 H HA 0.431 4.989 4.556 0.004 0.000 0.327 451 H C -1.358 173.114 175.328 -1.426 0.000 1.342 451 H CA -1.402 53.984 56.048 -1.103 0.000 1.123 451 H CB 0.771 29.944 29.762 -0.981 0.000 1.851 451 H HN 0.586 nan 8.280 nan 0.000 0.531 452 C N 2.074 120.441 119.300 -1.555 0.000 2.648 452 C HA 0.063 4.525 4.460 0.004 0.000 0.415 452 C C 1.475 176.304 174.990 -0.268 0.000 1.366 452 C CA 0.038 58.449 59.018 -1.012 0.000 1.756 452 C CB -1.062 26.300 27.740 -0.630 0.000 2.549 452 C HN 0.987 nan 8.230 nan 0.000 0.597 453 H N 4.085 123.036 119.070 -0.199 0.000 2.547 453 H HA 0.237 4.795 4.556 0.004 0.000 0.266 453 H C 0.705 175.998 175.328 -0.059 0.000 0.988 453 H CA 0.449 56.479 56.048 -0.029 0.000 1.147 453 H CB 0.043 29.801 29.762 -0.007 0.000 1.365 453 H HN 0.679 nan 8.280 nan 0.000 0.589 454 I N 2.193 122.746 120.570 -0.027 0.000 2.578 454 I HA -0.106 4.066 4.170 0.004 0.000 0.286 454 I C 1.632 177.575 176.117 -0.290 0.000 1.126 454 I CA 0.082 61.254 61.300 -0.214 0.000 1.380 454 I CB 0.874 38.547 38.000 -0.545 0.000 1.408 454 I HN 0.046 nan 8.210 nan 0.000 0.532 455 E N 5.035 124.980 120.200 -0.425 0.000 2.118 455 E HA -0.210 4.142 4.350 0.004 0.000 0.195 455 E C 1.558 177.825 176.600 -0.555 0.000 0.992 455 E CA 1.950 57.996 56.400 -0.590 0.000 0.804 455 E CB -0.044 29.116 29.700 -0.899 0.000 0.741 455 E HN 0.601 nan 8.360 nan 0.000 0.458 456 F N -0.717 119.150 119.950 -0.140 0.000 2.293 456 F HA -0.076 4.454 4.527 0.003 0.000 0.300 456 F C 2.154 178.065 175.800 0.184 0.000 1.086 456 F CA 1.294 59.288 58.000 -0.009 0.000 1.375 456 F CB -0.600 38.394 39.000 -0.010 0.000 1.045 456 F HN 0.262 nan 8.300 nan 0.000 0.516 457 H N -1.068 118.061 119.070 0.098 0.000 2.384 457 H HA -0.055 4.503 4.556 0.003 0.000 0.300 457 H C 2.146 177.430 175.328 -0.074 0.000 1.057 457 H CA 0.690 56.741 56.048 0.005 0.000 1.370 457 H CB -0.134 29.449 29.762 -0.298 0.000 1.417 457 H HN 0.163 nan 8.280 nan 0.000 0.527 458 L N 1.183 122.374 121.223 -0.053 0.000 2.012 458 L HA -0.195 4.147 4.340 0.004 0.000 0.210 458 L C 2.323 179.163 176.870 -0.050 0.000 1.073 458 L CA 1.643 56.367 54.840 -0.193 0.000 0.748 458 L CB -0.612 41.209 42.059 -0.396 0.000 0.891 458 L HN 0.256 nan 8.230 nan 0.000 0.431 459 M N -0.868 118.723 119.600 -0.015 0.000 2.374 459 M HA -0.169 4.313 4.480 0.004 0.000 0.264 459 M C 0.736 177.116 176.300 0.133 0.000 1.067 459 M CA 1.612 56.939 55.300 0.046 0.000 1.103 459 M CB -0.257 32.340 32.600 -0.006 0.000 1.402 459 M HN 0.393 nan 8.290 nan 0.000 0.444 460 N N -0.090 118.746 118.700 0.226 0.000 2.251 460 N HA 0.245 4.988 4.740 0.004 0.000 0.217 460 N C 0.409 176.115 175.510 0.326 0.000 1.124 460 N CA 0.673 53.896 53.050 0.287 0.000 0.843 460 N CB 0.798 39.531 38.487 0.409 0.000 1.024 460 N HN 0.538 nan 8.380 nan 0.000 0.501 461 G N -0.009 108.949 108.800 0.263 0.000 2.184 461 G HA2 -0.217 3.745 3.960 0.004 0.000 0.206 461 G HA3 -0.217 3.745 3.960 0.004 0.000 0.206 461 G C -0.164 174.871 174.900 0.224 0.000 0.995 461 G CA -0.572 44.684 45.100 0.260 0.000 0.651 461 G HN 0.220 nan 8.290 nan 0.000 0.511 462 L N 1.736 123.017 121.223 0.097 0.000 2.399 462 L HA 0.776 5.118 4.340 0.004 0.000 0.257 462 L C 0.490 177.233 176.870 -0.211 0.000 1.236 462 L CA 0.507 55.303 54.840 -0.074 0.000 1.144 462 L CB -0.478 41.345 42.059 -0.393 0.000 1.379 462 L HN 1.104 nan 8.230 nan 0.000 0.414 463 A N 4.229 126.987 122.820 -0.102 0.000 2.597 463 A HA 0.803 5.126 4.320 0.004 0.000 0.292 463 A C -1.213 176.345 177.584 -0.043 0.000 1.057 463 A CA -0.524 51.365 52.037 -0.247 0.000 0.674 463 A CB 1.117 19.727 19.000 -0.651 0.000 1.278 463 A HN 0.492 nan 8.150 nan 0.000 0.416 464 I N -2.043 118.503 120.570 -0.041 0.000 3.191 464 I HA 0.893 5.065 4.170 0.004 0.000 0.313 464 I C -1.281 174.888 176.117 0.088 0.000 1.193 464 I CA -1.343 59.993 61.300 0.059 0.000 0.968 464 I CB 2.075 40.030 38.000 -0.075 0.000 1.262 464 I HN 0.363 nan 8.210 nan 0.000 0.456 465 V N 2.385 122.345 119.914 0.077 0.000 2.604 465 V HA 0.467 4.589 4.120 0.004 0.000 0.305 465 V C -1.012 175.098 176.094 0.027 0.000 1.043 465 V CA -0.330 61.999 62.300 0.049 0.000 0.888 465 V CB 1.729 33.559 31.823 0.011 0.000 0.995 465 V HN 0.463 nan 8.190 nan 0.000 0.429 466 F N 2.807 122.925 119.950 0.279 0.000 2.385 466 F HA 0.638 5.167 4.527 0.004 0.000 0.360 466 F C 0.695 176.623 175.800 0.213 0.000 1.122 466 F CA -0.782 57.397 58.000 0.298 0.000 1.090 466 F CB 1.476 40.687 39.000 0.350 0.000 1.150 466 F HN 0.530 nan 8.300 nan 0.000 0.472 467 A N 3.909 126.946 122.820 0.361 0.000 2.650 467 A HA 0.281 4.603 4.320 0.004 0.000 0.320 467 A C 0.147 177.875 177.584 0.239 0.000 1.466 467 A CA -0.469 51.688 52.037 0.200 0.000 1.099 467 A CB -0.390 18.689 19.000 0.131 0.000 1.136 467 A HN 0.748 nan 8.150 nan 0.000 0.532 468 E N 2.789 123.152 120.200 0.271 0.000 2.229 468 E HA 0.235 4.587 4.350 0.004 0.000 0.283 468 E C -0.588 176.136 176.600 0.208 0.000 1.030 468 E CA -0.383 56.196 56.400 0.298 0.000 0.836 468 E CB 0.426 30.427 29.700 0.501 0.000 1.068 468 E HN 0.625 nan 8.360 nan 0.000 0.401 469 D N 4.665 125.161 120.400 0.160 0.000 2.803 469 D HA -0.235 4.408 4.640 0.004 0.000 0.233 469 D C 0.579 176.935 176.300 0.093 0.000 1.182 469 D CA 0.814 54.884 54.000 0.117 0.000 0.726 469 D CB -0.648 40.230 40.800 0.129 0.000 0.987 469 D HN 0.704 nan 8.370 nan 0.000 0.412 470 M N 0.407 120.055 119.600 0.080 0.000 2.108 470 M HA -0.215 4.268 4.480 0.004 0.000 0.261 470 M C 2.418 178.745 176.300 0.046 0.000 1.066 470 M CA 2.103 57.437 55.300 0.056 0.000 1.107 470 M CB -0.294 32.338 32.600 0.053 0.000 1.356 470 M HN 0.405 nan 8.290 nan 0.000 0.406 471 A N 0.348 123.196 122.820 0.047 0.000 2.024 471 A HA -0.140 4.182 4.320 0.004 0.000 0.220 471 A C 1.677 179.284 177.584 0.039 0.000 1.164 471 A CA 1.606 53.666 52.037 0.038 0.000 0.643 471 A CB -0.602 18.419 19.000 0.036 0.000 0.806 471 A HN 0.569 nan 8.150 nan 0.000 0.451 472 N N -1.250 117.479 118.700 0.048 0.000 2.203 472 N HA 0.020 4.762 4.740 0.004 0.000 0.207 472 N C 0.745 176.285 175.510 0.050 0.000 1.130 472 N CA 0.554 53.634 53.050 0.049 0.000 0.861 472 N CB 0.345 38.867 38.487 0.058 0.000 1.005 472 N HN 0.371 nan 8.380 nan 0.000 0.507 473 T N 0.440 115.019 114.554 0.042 0.000 2.777 473 T HA -0.041 4.311 4.350 0.004 0.000 0.266 473 T C 2.205 176.915 174.700 0.016 0.000 1.040 473 T CA 0.835 62.951 62.100 0.027 0.000 1.141 473 T CB 0.098 68.970 68.868 0.007 0.000 0.868 473 T HN -0.051 nan 8.240 nan 0.000 0.444 474 V N 1.819 121.743 119.914 0.016 0.000 2.358 474 V HA -0.161 3.961 4.120 0.004 0.000 0.246 474 V C 2.383 178.487 176.094 0.016 0.000 1.047 474 V CA 1.968 64.275 62.300 0.011 0.000 1.035 474 V CB -0.571 31.260 31.823 0.014 0.000 0.658 474 V HN 0.483 nan 8.190 nan 0.000 0.452 475 D N 0.278 120.693 120.400 0.025 0.000 2.144 475 D HA -0.124 4.518 4.640 0.004 0.000 0.199 475 D C 2.063 178.387 176.300 0.040 0.000 0.984 475 D CA 1.460 55.478 54.000 0.030 0.000 0.834 475 D CB -0.093 40.727 40.800 0.033 0.000 0.955 475 D HN 0.374 nan 8.370 nan 0.000 0.465 476 A N -0.461 122.388 122.820 0.049 0.000 1.968 476 A HA -0.021 4.302 4.320 0.004 0.000 0.217 476 A C 0.892 178.523 177.584 0.080 0.000 1.169 476 A CA 0.585 52.663 52.037 0.068 0.000 0.638 476 A CB -0.120 18.929 19.000 0.082 0.000 0.812 476 A HN 0.206 nan 8.150 nan 0.000 0.446 477 N N 1.422 120.161 118.700 0.065 0.000 2.392 477 N HA 0.266 5.009 4.740 0.004 0.000 0.283 477 N C -1.552 173.989 175.510 0.052 0.000 1.003 477 N CA -0.293 52.816 53.050 0.098 0.000 0.892 477 N CB 1.159 39.677 38.487 0.052 0.000 1.193 477 N HN 0.219 nan 8.380 nan 0.000 0.487 478 N N 2.368 121.121 118.700 0.087 0.000 2.841 478 N HA 0.281 5.023 4.740 0.004 0.000 0.257 478 N C -2.696 172.622 175.510 -0.319 0.000 1.396 478 N CA -0.886 52.125 53.050 -0.066 0.000 0.823 478 N CB 1.450 39.933 38.487 -0.007 0.000 1.162 478 N HN 0.240 nan 8.380 nan 0.000 0.503 479 P HA 0.168 nan 4.420 nan 0.000 0.269 479 P C -2.175 174.688 177.300 -0.728 0.000 1.209 479 P CA -0.619 61.651 63.100 -1.384 0.000 0.776 479 P CB 0.017 30.990 31.700 -1.211 0.000 0.876 480 P HA -0.021 nan 4.420 nan 0.000 0.272 480 P C 0.942 178.181 177.300 -0.101 0.000 1.240 480 P CA -0.220 62.684 63.100 -0.327 0.000 0.791 480 P CB 0.777 32.292 31.700 -0.307 0.000 0.978 481 V N 1.135 121.026 119.914 -0.038 0.000 2.469 481 V HA -0.250 3.873 4.120 0.004 0.000 0.251 481 V C 1.996 178.129 176.094 0.064 0.000 1.064 481 V CA 2.172 64.482 62.300 0.018 0.000 1.066 481 V CB -1.095 30.730 31.823 0.004 0.000 0.667 481 V HN 0.480 nan 8.190 nan 0.000 0.461 482 E N -0.846 119.415 120.200 0.101 0.000 2.268 482 E HA -0.218 4.134 4.350 0.004 0.000 0.195 482 E C 1.497 178.240 176.600 0.239 0.000 0.995 482 E CA 1.473 57.979 56.400 0.177 0.000 0.836 482 E CB -0.392 29.451 29.700 0.239 0.000 0.763 482 E HN 0.912 nan 8.360 nan 0.000 0.491 483 W N 1.240 122.586 121.300 0.077 0.000 2.354 483 W HA -0.155 4.507 4.660 0.004 0.000 0.315 483 W C 2.251 178.680 176.519 -0.150 0.000 1.206 483 W CA 2.121 59.418 57.345 -0.080 0.000 1.290 483 W CB -0.443 28.963 29.460 -0.089 0.000 1.152 483 W HN 0.034 nan 8.180 nan 0.000 0.489 484 A N 0.091 122.799 122.820 -0.188 0.000 2.015 484 A HA -0.210 4.112 4.320 0.004 0.000 0.219 484 A C 1.837 179.216 177.584 -0.341 0.000 1.163 484 A CA 1.681 53.441 52.037 -0.462 0.000 0.646 484 A CB -0.772 18.142 19.000 -0.142 0.000 0.806 484 A HN 0.583 nan 8.150 nan 0.000 0.448 485 Q N -0.280 119.405 119.800 -0.193 0.000 2.291 485 Q HA -0.054 4.289 4.340 0.004 0.000 0.206 485 Q C 1.788 177.667 176.000 -0.202 0.000 0.976 485 Q CA 0.919 56.635 55.803 -0.144 0.000 0.875 485 Q CB -0.395 28.310 28.738 -0.055 0.000 0.927 485 Q HN 0.699 nan 8.270 nan 0.000 0.450 486 L N -0.361 120.673 121.223 -0.315 0.000 2.042 486 L HA -0.283 4.059 4.340 0.004 0.000 0.210 486 L C 2.450 179.155 176.870 -0.275 0.000 1.076 486 L CA 1.025 55.656 54.840 -0.348 0.000 0.749 486 L CB -0.636 41.101 42.059 -0.538 0.000 0.893 486 L HN 0.381 nan 8.230 nan 0.000 0.432 487 c N 0.175 118.590 118.600 -0.309 0.000 2.440 487 c HA -0.127 4.445 4.570 0.004 0.000 0.278 487 c C 2.709 176.743 174.090 -0.094 0.000 1.295 487 c CA 0.962 57.180 56.329 -0.185 0.000 1.738 487 c CB -1.020 41.346 42.510 -0.242 0.000 1.987 487 c HN 0.644 nan 8.230 nan 0.000 0.492 488 E N 1.292 121.416 120.200 -0.126 0.000 2.072 488 E HA -0.147 4.205 4.350 0.004 0.000 0.191 488 E C 1.856 178.407 176.600 -0.083 0.000 0.985 488 E CA 1.294 57.640 56.400 -0.089 0.000 0.801 488 E CB -0.458 29.192 29.700 -0.083 0.000 0.750 488 E HN 0.609 nan 8.360 nan 0.000 0.452 489 I N 0.298 120.801 120.570 -0.112 0.000 2.226 489 I HA -0.251 3.921 4.170 0.004 0.000 0.245 489 I C 2.574 178.626 176.117 -0.107 0.000 1.100 489 I CA 1.292 62.502 61.300 -0.150 0.000 1.374 489 I CB -0.367 37.451 38.000 -0.304 0.000 1.057 489 I HN 0.096 nan 8.210 nan 0.000 0.413 490 Y N 2.003 122.177 120.300 -0.211 0.000 2.145 490 Y HA -0.284 4.268 4.550 0.004 0.000 0.286 490 Y C 2.160 177.993 175.900 -0.110 0.000 1.145 490 Y CA 1.685 59.684 58.100 -0.168 0.000 1.148 490 Y CB -0.364 37.987 38.460 -0.181 0.000 0.981 490 Y HN 0.196 nan 8.280 nan 0.000 0.507 491 D N -0.243 120.092 120.400 -0.109 0.000 2.264 491 D HA -0.129 4.513 4.640 0.004 0.000 0.208 491 D C 1.226 177.433 176.300 -0.156 0.000 0.966 491 D CA 1.274 55.178 54.000 -0.161 0.000 0.864 491 D CB -0.196 40.565 40.800 -0.065 0.000 0.933 491 D HN 0.445 nan 8.370 nan 0.000 0.499 492 D N -0.258 120.066 120.400 -0.126 0.000 2.348 492 D HA 0.001 4.643 4.640 0.004 0.000 0.211 492 D C 0.464 176.706 176.300 -0.097 0.000 0.998 492 D CA -0.167 53.778 54.000 -0.092 0.000 0.873 492 D CB 0.160 40.924 40.800 -0.061 0.000 0.925 492 D HN 0.064 nan 8.370 nan 0.000 0.524 493 L N 2.697 123.833 121.223 -0.146 0.000 2.559 493 L HA 0.084 4.426 4.340 0.004 0.000 0.282 493 L C -1.688 175.126 176.870 -0.095 0.000 1.232 493 L CA -0.955 53.814 54.840 -0.118 0.000 0.885 493 L CB -0.508 41.438 42.059 -0.189 0.000 1.131 493 L HN -0.044 nan 8.230 nan 0.000 0.498 494 P HA 0.232 nan 4.420 nan 0.000 0.274 494 P C -2.202 175.076 177.300 -0.037 0.000 1.237 494 P CA -1.466 61.612 63.100 -0.037 0.000 0.793 494 P CB -0.030 31.660 31.700 -0.015 0.000 0.977 495 P HA -0.189 nan 4.420 nan 0.000 0.216 495 P C 1.336 178.632 177.300 -0.006 0.000 1.150 495 P CA 1.531 64.618 63.100 -0.022 0.000 0.843 495 P CB -0.155 31.535 31.700 -0.016 0.000 0.787 496 E N -0.019 120.182 120.200 0.000 0.000 2.268 496 E HA -0.085 4.268 4.350 0.004 0.000 0.195 496 E C 1.701 178.314 176.600 0.021 0.000 0.995 496 E CA 1.274 57.681 56.400 0.012 0.000 0.836 496 E CB -0.907 28.800 29.700 0.012 0.000 0.763 496 E HN 0.177 nan 8.360 nan 0.000 0.491 497 A N 1.564 124.394 122.820 0.016 0.000 2.119 497 A HA -0.031 4.291 4.320 0.004 0.000 0.216 497 A C 2.096 179.705 177.584 0.042 0.000 1.152 497 A CA 1.499 53.554 52.037 0.030 0.000 0.708 497 A CB -0.315 18.698 19.000 0.021 0.000 0.805 497 A HN 0.414 nan 8.150 nan 0.000 0.460 498 T N -2.635 111.939 114.554 0.032 0.000 3.043 498 T HA 0.226 4.578 4.350 0.004 0.000 0.272 498 T C 0.611 175.351 174.700 0.066 0.000 0.990 498 T CA 0.457 62.596 62.100 0.064 0.000 0.897 498 T CB -0.638 68.258 68.868 0.047 0.000 1.111 498 T HN 0.386 nan 8.240 nan 0.000 0.529 499 S N 1.624 117.350 115.700 0.044 0.000 2.568 499 S HA 0.529 5.001 4.470 0.004 0.000 0.282 499 S C -0.109 174.521 174.600 0.050 0.000 1.338 499 S CA -0.644 57.579 58.200 0.039 0.000 1.045 499 S CB 0.148 63.364 63.200 0.026 0.000 0.873 499 S HN 0.445 nan 8.310 nan 0.000 0.516 500 I N 1.478 122.074 120.570 0.043 0.000 2.389 500 I HA 0.289 4.461 4.170 0.004 0.000 0.288 500 I C 0.070 176.206 176.117 0.031 0.000 0.999 500 I CA -0.388 60.938 61.300 0.043 0.000 1.129 500 I CB 1.785 39.809 38.000 0.040 0.000 1.288 500 I HN 0.682 nan 8.210 nan 0.000 0.444 501 Q N 4.597 124.416 119.800 0.032 0.000 2.377 501 Q HA 0.268 4.610 4.340 0.004 0.000 0.249 501 Q C -0.526 175.487 176.000 0.022 0.000 1.005 501 Q CA -0.237 55.582 55.803 0.026 0.000 0.912 501 Q CB 0.930 29.686 28.738 0.029 0.000 1.223 501 Q HN 0.600 nan 8.270 nan 0.000 0.459 502 T N 2.312 116.875 114.554 0.016 0.000 2.913 502 T HA 0.382 4.734 4.350 0.004 0.000 0.297 502 T C -0.724 173.984 174.700 0.013 0.000 1.029 502 T CA -0.251 61.855 62.100 0.010 0.000 1.104 502 T CB 1.142 70.012 68.868 0.003 0.000 0.964 502 T HN 0.447 nan 8.240 nan 0.000 0.532 503 V N 0.000 119.921 119.914 0.012 0.000 2.409 503 V HA 0.000 4.122 4.120 0.004 0.000 0.244 503 V CA 0.000 62.311 62.300 0.018 0.000 1.235 503 V CB 0.000 31.839 31.823 0.026 0.000 1.184 503 V HN 0.000 nan 8.190 nan 0.000 0.556