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 1a65_1_A DATA FIRST_RESID 1 DATA SEQUENCE QIVNSVDTMT LTNANVSPDG FTRAGILVNG VHGPLIRGGK NDNFELNVVN DATA SEQUENCE DLDNPTMLRP TSIHWHGLFQ RGTNWADGAD GVNQcPISPG HAFLYKFTPA DATA SEQUENCE GHAGTFWYHS HFGTQYcDGL RGPMVIYDDN DPHAALYDED DENTIITLAD DATA SEQUENCE WYHIPAPSIQ GAAQPDATLI 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 QTVV 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.048 176.000 0.081 0.000 1.003 1 Q CA 0.000 55.842 55.803 0.065 0.000 1.022 1 Q CB 0.000 28.777 28.738 0.065 0.000 1.108 2 I N 1.392 122.005 120.570 0.072 0.000 2.569 2 I HA 0.786 4.956 4.170 0.001 0.000 0.296 2 I C 0.119 176.279 176.117 0.072 0.000 1.028 2 I CA -1.272 60.077 61.300 0.081 0.000 1.082 2 I CB 1.789 39.830 38.000 0.069 0.000 1.264 2 I HN 0.769 nan 8.210 nan 0.000 0.429 3 V N 5.349 125.312 119.914 0.082 0.000 2.435 3 V HA 0.491 4.611 4.120 0.001 0.000 0.290 3 V C -0.323 175.798 176.094 0.044 0.000 1.030 3 V CA -0.314 62.020 62.300 0.058 0.000 0.881 3 V CB 1.448 33.302 31.823 0.052 0.000 0.983 3 V HN 0.849 nan 8.190 nan 0.000 0.445 4 N N 3.429 122.128 118.700 -0.002 0.000 2.413 4 N HA 0.329 5.069 4.740 0.001 0.000 0.266 4 N C 1.278 176.698 175.510 -0.151 0.000 1.238 4 N CA 0.018 53.031 53.050 -0.062 0.000 0.972 4 N CB 1.091 39.531 38.487 -0.078 0.000 1.210 4 N HN 0.885 nan 8.380 nan 0.000 0.547 5 S N -1.000 114.479 115.700 -0.368 0.000 2.447 5 S HA -0.075 4.396 4.470 0.001 0.000 0.233 5 S C 0.645 174.937 174.600 -0.514 0.000 1.006 5 S CA 0.170 57.872 58.200 -0.829 0.000 0.957 5 S CB -0.337 61.900 63.200 -1.606 0.000 0.773 5 S HN 0.443 nan 8.310 nan 0.000 0.507 6 V N 0.053 119.788 119.914 -0.298 0.000 2.407 6 V HA 0.787 4.908 4.120 0.001 0.000 0.291 6 V C -1.354 174.674 176.094 -0.110 0.000 1.018 6 V CA -0.495 61.689 62.300 -0.193 0.000 0.842 6 V CB 1.440 33.164 31.823 -0.166 0.000 0.996 6 V HN 0.241 nan 8.190 nan 0.000 0.426 7 D N 2.843 123.204 120.400 -0.064 0.000 2.769 7 D HA 0.421 5.062 4.640 0.001 0.000 0.309 7 D C -1.065 175.246 176.300 0.019 0.000 1.315 7 D CA -0.170 53.817 54.000 -0.020 0.000 0.780 7 D CB 2.364 43.155 40.800 -0.015 0.000 1.312 7 D HN 0.605 nan 8.370 nan 0.000 0.437 8 T N 1.146 115.722 114.554 0.037 0.000 2.823 8 T HA 0.581 4.931 4.350 0.001 0.000 0.279 8 T C -0.046 174.706 174.700 0.086 0.000 0.998 8 T CA -0.436 61.704 62.100 0.067 0.000 0.994 8 T CB 0.860 69.763 68.868 0.058 0.000 0.960 8 T HN 0.168 nan 8.240 nan 0.000 0.448 9 M N 3.040 122.713 119.600 0.121 0.000 2.027 9 M HA 0.265 4.746 4.480 0.001 0.000 0.329 9 M C -0.314 176.071 176.300 0.142 0.000 0.971 9 M CA -0.479 54.900 55.300 0.130 0.000 0.933 9 M CB 1.036 33.726 32.600 0.150 0.000 1.392 9 M HN 0.461 nan 8.290 nan 0.000 0.394 10 T N 3.871 118.498 114.554 0.121 0.000 2.743 10 T HA 0.446 4.796 4.350 0.001 0.000 0.293 10 T C -0.346 174.431 174.700 0.129 0.000 0.945 10 T CA -0.484 61.687 62.100 0.118 0.000 1.030 10 T CB 0.548 69.473 68.868 0.094 0.000 0.912 10 T HN 0.239 nan 8.240 nan 0.000 0.483 11 L N 4.988 126.293 121.223 0.137 0.000 2.257 11 L HA 0.505 4.846 4.340 0.001 0.000 0.290 11 L C 0.957 177.901 176.870 0.122 0.000 1.044 11 L CA 0.023 54.949 54.840 0.144 0.000 0.810 11 L CB 0.621 42.775 42.059 0.158 0.000 1.193 11 L HN 0.866 nan 8.230 nan 0.000 0.425 12 T N -0.044 114.580 114.554 0.117 0.000 2.865 12 T HA 0.619 4.970 4.350 0.001 0.000 0.294 12 T C -0.336 174.424 174.700 0.100 0.000 1.119 12 T CA -1.025 61.135 62.100 0.099 0.000 1.007 12 T CB 1.390 70.308 68.868 0.085 0.000 1.225 12 T HN 0.381 nan 8.240 nan 0.000 0.515 13 N N -0.337 118.416 118.700 0.088 0.000 2.405 13 N HA 0.762 5.503 4.740 0.001 0.000 0.299 13 N C -0.774 174.781 175.510 0.075 0.000 1.075 13 N CA -0.689 52.413 53.050 0.086 0.000 0.884 13 N CB 1.836 40.372 38.487 0.082 0.000 1.194 13 N HN 1.064 nan 8.380 nan 0.000 0.491 14 A N 1.319 124.183 122.820 0.075 0.000 2.564 14 A HA 0.493 4.813 4.320 0.001 0.000 0.291 14 A C -1.536 176.091 177.584 0.071 0.000 1.102 14 A CA -0.887 51.190 52.037 0.066 0.000 0.660 14 A CB 0.811 19.848 19.000 0.062 0.000 1.283 14 A HN 0.572 nan 8.150 nan 0.000 0.430 15 N N -0.396 118.342 118.700 0.064 0.000 2.529 15 N HA 0.534 5.274 4.740 0.001 0.000 0.278 15 N C -0.885 174.672 175.510 0.078 0.000 1.146 15 N CA -0.029 53.065 53.050 0.073 0.000 0.980 15 N CB 1.642 40.159 38.487 0.050 0.000 1.124 15 N HN 0.492 nan 8.380 nan 0.000 0.458 16 V N 0.267 120.249 119.914 0.113 0.000 2.962 16 V HA 0.600 4.720 4.120 0.001 0.000 0.313 16 V C -0.835 175.340 176.094 0.136 0.000 1.099 16 V CA -0.620 61.740 62.300 0.099 0.000 0.971 16 V CB 2.178 34.038 31.823 0.061 0.000 1.028 16 V HN 0.867 nan 8.190 nan 0.000 0.430 17 S N 2.829 118.587 115.700 0.096 0.000 2.440 17 S HA 0.359 4.829 4.470 0.001 0.000 0.142 17 S C -2.093 172.548 174.600 0.069 0.000 1.578 17 S CA -0.685 57.587 58.200 0.120 0.000 1.260 17 S CB 1.092 64.348 63.200 0.093 0.000 1.407 17 S HN 0.634 nan 8.310 nan 0.000 0.392 18 P HA 0.021 nan 4.420 nan 0.000 0.223 18 P C 0.270 177.563 177.300 -0.011 0.000 1.151 18 P CA 1.201 64.235 63.100 -0.109 0.000 0.787 18 P CB -0.065 31.401 31.700 -0.390 0.000 0.788 19 D N -2.580 117.899 120.400 0.131 0.000 2.563 19 D HA 0.211 4.852 4.640 0.001 0.000 0.237 19 D C 1.240 177.764 176.300 0.375 0.000 1.282 19 D CA -0.015 54.150 54.000 0.275 0.000 0.816 19 D CB -0.284 40.781 40.800 0.442 0.000 1.066 19 D HN 0.184 nan 8.370 nan 0.000 0.501 20 G N 0.272 109.234 108.800 0.270 0.000 2.176 20 G HA2 -0.274 3.687 3.960 0.001 0.000 0.253 20 G HA3 -0.274 3.687 3.960 0.001 0.000 0.253 20 G C -0.204 174.879 174.900 0.304 0.000 0.979 20 G CA 0.068 45.318 45.100 0.250 0.000 0.641 20 G HN 0.407 nan 8.290 nan 0.000 0.530 21 F N 3.174 123.223 119.950 0.165 0.000 2.385 21 F HA 0.622 5.149 4.527 -0.001 0.000 0.360 21 F C 0.499 176.306 175.800 0.012 0.000 1.122 21 F CA -0.300 57.662 58.000 -0.063 0.000 1.090 21 F CB 1.412 39.997 39.000 -0.692 0.000 1.150 21 F HN -0.015 nan 8.300 nan 0.000 0.472 22 T N 6.653 121.046 114.554 -0.269 0.000 2.771 22 T HA 0.584 4.935 4.350 0.001 0.000 0.291 22 T C -0.521 174.135 174.700 -0.073 0.000 0.954 22 T CA -0.514 61.535 62.100 -0.086 0.000 1.045 22 T CB 0.805 69.606 68.868 -0.111 0.000 0.917 22 T HN 0.728 nan 8.240 nan 0.000 0.484 23 R N 1.123 121.723 120.500 0.167 0.000 2.781 23 R HA 0.832 5.173 4.340 0.001 0.000 0.269 23 R C -1.234 175.182 176.300 0.194 0.000 1.025 23 R CA -1.073 55.152 56.100 0.209 0.000 0.914 23 R CB 0.589 31.099 30.300 0.349 0.000 1.236 23 R HN 0.551 nan 8.270 nan 0.000 0.465 24 A N 0.360 123.269 122.820 0.148 0.000 2.340 24 A HA 0.740 5.060 4.320 0.001 0.000 0.268 24 A C 0.144 177.824 177.584 0.160 0.000 1.100 24 A CA 0.282 52.396 52.037 0.127 0.000 0.803 24 A CB 0.325 19.380 19.000 0.091 0.000 1.043 24 A HN 0.968 nan 8.150 nan 0.000 0.488 25 G N -0.340 108.549 108.800 0.149 0.000 3.021 25 G HA2 0.596 4.557 3.960 0.001 0.000 0.290 25 G HA3 0.596 4.557 3.960 0.001 0.000 0.290 25 G C -1.200 173.768 174.900 0.114 0.000 1.291 25 G CA -0.670 44.530 45.100 0.167 0.000 0.834 25 G HN 0.679 nan 8.290 nan 0.000 0.564 26 I N 0.431 121.065 120.570 0.106 0.000 2.436 26 I HA 0.393 4.564 4.170 0.001 0.000 0.289 26 I C -1.137 175.049 176.117 0.115 0.000 1.010 26 I CA -0.564 60.811 61.300 0.126 0.000 1.098 26 I CB 1.946 40.048 38.000 0.171 0.000 1.266 26 I HN 0.054 nan 8.210 nan 0.000 0.434 27 L N 7.072 128.370 121.223 0.126 0.000 2.334 27 L HA 0.584 4.925 4.340 0.001 0.000 0.273 27 L C -0.381 176.593 176.870 0.173 0.000 1.013 27 L CA -0.783 54.143 54.840 0.143 0.000 0.816 27 L CB 2.082 44.210 42.059 0.114 0.000 1.278 27 L HN 0.195 nan 8.230 nan 0.000 0.431 28 V N 3.486 123.520 119.914 0.200 0.000 2.350 28 V HA 0.379 4.499 4.120 0.001 0.000 0.285 28 V C -0.213 175.977 176.094 0.159 0.000 1.014 28 V CA -0.791 61.627 62.300 0.198 0.000 0.831 28 V CB 1.099 33.077 31.823 0.259 0.000 1.000 28 V HN 0.825 nan 8.190 nan 0.000 0.433 29 N N 4.108 122.886 118.700 0.129 0.000 2.727 29 N HA -0.204 4.537 4.740 0.001 0.000 0.249 29 N C 1.167 176.737 175.510 0.099 0.000 1.048 29 N CA 1.559 54.672 53.050 0.104 0.000 0.714 29 N CB -1.120 37.425 38.487 0.097 0.000 0.959 29 N HN 1.511 nan 8.380 nan 0.000 0.544 30 G N -2.955 105.906 108.800 0.102 0.000 2.155 30 G HA2 -0.270 3.690 3.960 0.001 0.000 0.257 30 G HA3 -0.270 3.690 3.960 0.001 0.000 0.257 30 G C -0.083 174.879 174.900 0.103 0.000 0.983 30 G CA 0.469 45.624 45.100 0.092 0.000 0.676 30 G HN 0.614 nan 8.290 nan 0.000 0.528 31 V N -0.480 119.513 119.914 0.131 0.000 2.789 31 V HA 0.433 4.553 4.120 0.001 0.000 0.311 31 V C 0.194 176.418 176.094 0.218 0.000 1.073 31 V CA -1.012 61.378 62.300 0.150 0.000 0.921 31 V CB 2.081 33.985 31.823 0.135 0.000 1.009 31 V HN 0.423 nan 8.190 nan 0.000 0.426 32 H N 3.446 122.566 119.070 0.084 0.000 3.089 32 H HA 0.409 4.965 4.556 0.001 0.000 0.262 32 H C 1.010 176.399 175.328 0.100 0.000 1.160 32 H CA 0.504 56.602 56.048 0.085 0.000 1.482 32 H CB 0.182 29.954 29.762 0.018 0.000 1.511 32 H HN 1.110 nan 8.280 nan 0.000 0.483 33 G N 5.887 114.901 108.800 0.357 0.000 2.367 33 G HA2 -0.220 3.741 3.960 0.001 0.000 0.295 33 G HA3 -0.220 3.741 3.960 0.001 0.000 0.295 33 G C -2.454 172.577 174.900 0.220 0.000 1.019 33 G CA -0.314 44.936 45.100 0.251 0.000 1.224 33 G HN 0.592 nan 8.290 nan 0.000 0.510 34 P HA 0.368 nan 4.420 nan 0.000 0.272 34 P C 0.352 177.836 177.300 0.307 0.000 1.230 34 P CA -0.720 62.521 63.100 0.235 0.000 0.788 34 P CB 1.237 33.058 31.700 0.200 0.000 0.949 35 L N 2.624 123.977 121.223 0.217 0.000 2.380 35 L HA 0.290 4.631 4.340 0.001 0.000 0.273 35 L C -0.287 176.719 176.870 0.226 0.000 1.138 35 L CA -0.024 54.953 54.840 0.229 0.000 0.832 35 L CB -0.378 41.773 42.059 0.153 0.000 1.124 35 L HN 0.207 nan 8.230 nan 0.000 0.454 36 I N 5.874 126.605 120.570 0.268 0.000 2.354 36 I HA 0.518 4.689 4.170 0.001 0.000 0.292 36 I C -0.200 176.062 176.117 0.242 0.000 0.989 36 I CA -0.628 60.804 61.300 0.220 0.000 1.188 36 I CB 1.107 39.230 38.000 0.207 0.000 1.342 36 I HN 0.731 nan 8.210 nan 0.000 0.457 37 R N 4.444 125.080 120.500 0.226 0.000 2.740 37 R HA 0.954 5.294 4.340 0.001 0.000 0.273 37 R C -0.799 175.635 176.300 0.223 0.000 0.998 37 R CA -0.863 55.383 56.100 0.244 0.000 0.900 37 R CB 2.269 32.736 30.300 0.279 0.000 1.223 37 R HN 0.693 nan 8.270 nan 0.000 0.466 38 G N -0.208 108.756 108.800 0.273 0.000 2.561 38 G HA2 0.558 4.518 3.960 0.001 0.000 0.310 38 G HA3 0.558 4.518 3.960 0.001 0.000 0.310 38 G C -1.405 173.634 174.900 0.231 0.000 1.292 38 G CA -0.565 44.624 45.100 0.148 0.000 0.811 38 G HN 0.739 nan 8.290 nan 0.000 0.482 39 G N -1.151 107.732 108.800 0.138 0.000 2.471 39 G HA2 0.519 4.479 3.960 0.001 0.000 0.332 39 G HA3 0.519 4.479 3.960 0.001 0.000 0.332 39 G C 0.845 175.843 174.900 0.163 0.000 1.176 39 G CA 0.156 45.347 45.100 0.152 0.000 0.949 39 G HN 0.889 nan 8.290 nan 0.000 0.488 40 K N -0.946 119.537 120.400 0.139 0.000 2.280 40 K HA -0.047 4.274 4.320 0.001 0.000 0.202 40 K C 0.968 177.632 176.600 0.107 0.000 1.047 40 K CA 1.642 58.002 56.287 0.123 0.000 0.942 40 K CB -0.017 32.547 32.500 0.107 0.000 0.739 40 K HN 0.424 nan 8.250 nan 0.000 0.457 41 N N 0.653 119.405 118.700 0.087 0.000 2.205 41 N HA 0.041 4.782 4.740 0.001 0.000 0.201 41 N C -0.874 174.667 175.510 0.052 0.000 1.128 41 N CA -0.441 52.648 53.050 0.064 0.000 0.867 41 N CB 0.429 38.942 38.487 0.042 0.000 0.996 41 N HN 0.140 nan 8.380 nan 0.000 0.503 42 D N 1.123 121.558 120.400 0.060 0.000 2.400 42 D HA 0.020 4.660 4.640 0.001 0.000 0.238 42 D C -0.194 176.109 176.300 0.004 0.000 1.157 42 D CA 0.600 54.574 54.000 -0.044 0.000 0.889 42 D CB 0.416 41.065 40.800 -0.251 0.000 1.199 42 D HN 0.131 nan 8.370 nan 0.000 0.436 43 N N 0.611 119.249 118.700 -0.103 0.000 2.437 43 N HA 0.227 4.967 4.740 0.001 0.000 0.259 43 N C -0.813 174.570 175.510 -0.212 0.000 0.983 43 N CA -0.516 52.483 53.050 -0.084 0.000 0.937 43 N CB 0.601 39.041 38.487 -0.079 0.000 1.122 43 N HN 0.153 nan 8.380 nan 0.000 0.499 44 F N 1.356 120.994 119.950 -0.520 0.000 2.396 44 F HA 0.243 4.771 4.527 0.001 0.000 0.343 44 F C 0.756 176.183 175.800 -0.622 0.000 1.104 44 F CA -0.433 57.149 58.000 -0.698 0.000 1.161 44 F CB 0.968 39.179 39.000 -1.315 0.000 1.146 44 F HN 0.309 nan 8.300 nan 0.000 0.522 45 E N 4.754 124.790 120.200 -0.275 0.000 2.331 45 E HA 0.336 4.687 4.350 0.001 0.000 0.243 45 E C -1.227 175.306 176.600 -0.111 0.000 0.925 45 E CA -0.311 55.985 56.400 -0.174 0.000 0.760 45 E CB 1.342 30.971 29.700 -0.118 0.000 1.254 45 E HN 0.465 nan 8.360 nan 0.000 0.419 46 L N 3.173 124.360 121.223 -0.060 0.000 2.295 46 L HA 0.328 4.669 4.340 0.001 0.000 0.281 46 L C -0.128 176.856 176.870 0.190 0.000 1.018 46 L CA -0.829 54.047 54.840 0.060 0.000 0.841 46 L CB 0.771 42.855 42.059 0.042 0.000 1.218 46 L HN 0.315 nan 8.230 nan 0.000 0.424 47 N N 2.965 121.744 118.700 0.132 0.000 2.402 47 N HA 0.161 4.902 4.740 0.001 0.000 0.252 47 N C -0.846 174.794 175.510 0.217 0.000 1.118 47 N CA -0.176 52.960 53.050 0.143 0.000 0.945 47 N CB 1.064 39.598 38.487 0.078 0.000 1.147 47 N HN 0.206 nan 8.380 nan 0.000 0.495 48 V N 4.590 124.698 119.914 0.323 0.000 2.334 48 V HA 0.201 4.322 4.120 0.001 0.000 0.267 48 V C 0.004 176.260 176.094 0.269 0.000 1.040 48 V CA -0.749 61.755 62.300 0.340 0.000 0.866 48 V CB 1.009 33.139 31.823 0.513 0.000 1.019 48 V HN 0.339 nan 8.190 nan 0.000 0.468 49 V N 5.068 125.103 119.914 0.201 0.000 2.334 49 V HA 0.257 4.377 4.120 0.001 0.000 0.267 49 V C 0.571 176.757 176.094 0.153 0.000 1.040 49 V CA -0.543 61.853 62.300 0.160 0.000 0.866 49 V CB 1.142 33.036 31.823 0.119 0.000 1.019 49 V HN 0.829 nan 8.190 nan 0.000 0.468 50 N N 4.075 122.868 118.700 0.156 0.000 2.605 50 N HA 0.104 4.844 4.740 0.001 0.000 0.258 50 N C 0.146 175.720 175.510 0.107 0.000 1.156 50 N CA -0.132 53.002 53.050 0.140 0.000 1.008 50 N CB 0.641 39.216 38.487 0.146 0.000 1.354 50 N HN 0.508 nan 8.380 nan 0.000 0.509 51 D N 2.359 122.817 120.400 0.098 0.000 2.395 51 D HA 0.129 4.769 4.640 0.001 0.000 0.226 51 D C 0.233 176.581 176.300 0.080 0.000 1.146 51 D CA -0.052 53.993 54.000 0.076 0.000 0.830 51 D CB 0.212 41.053 40.800 0.068 0.000 0.958 51 D HN 0.467 nan 8.370 nan 0.000 0.501 52 L N 1.416 122.695 121.223 0.093 0.000 2.410 52 L HA 0.110 4.451 4.340 0.001 0.000 0.273 52 L C 1.033 177.952 176.870 0.081 0.000 1.152 52 L CA 0.125 55.021 54.840 0.094 0.000 0.855 52 L CB 0.680 42.805 42.059 0.109 0.000 1.129 52 L HN -0.069 nan 8.230 nan 0.000 0.463 53 D N 0.128 120.572 120.400 0.074 0.000 2.539 53 D HA 0.008 4.648 4.640 0.001 0.000 0.232 53 D C 0.251 176.589 176.300 0.063 0.000 1.256 53 D CA -0.371 53.667 54.000 0.064 0.000 0.810 53 D CB -0.192 40.639 40.800 0.052 0.000 1.090 53 D HN 0.413 nan 8.370 nan 0.000 0.519 54 N N 1.746 120.488 118.700 0.070 0.000 2.408 54 N HA 0.179 4.920 4.740 0.001 0.000 0.257 54 N C -1.676 173.875 175.510 0.069 0.000 1.064 54 N CA -1.423 51.667 53.050 0.066 0.000 0.952 54 N CB 1.533 40.062 38.487 0.069 0.000 1.093 54 N HN -0.203 nan 8.380 nan 0.000 0.490 55 P HA -0.032 nan 4.420 nan 0.000 0.245 55 P C 0.626 177.960 177.300 0.056 0.000 1.212 55 P CA 0.732 63.867 63.100 0.059 0.000 0.774 55 P CB 0.003 31.732 31.700 0.048 0.000 0.999 56 T N -3.438 111.148 114.554 0.053 0.000 3.148 56 T HA 0.186 4.537 4.350 0.001 0.000 0.253 56 T C 0.921 175.649 174.700 0.046 0.000 1.134 56 T CA -0.002 62.125 62.100 0.045 0.000 1.051 56 T CB -0.612 68.280 68.868 0.041 0.000 0.959 56 T HN 0.129 nan 8.240 nan 0.000 0.525 57 M N -0.064 119.575 119.600 0.065 0.000 2.575 57 M HA 0.609 5.090 4.480 0.001 0.000 0.284 57 M C -1.486 174.880 176.300 0.110 0.000 1.253 57 M CA -1.478 53.866 55.300 0.074 0.000 0.861 57 M CB 1.192 33.833 32.600 0.070 0.000 1.733 57 M HN -0.286 nan 8.290 nan 0.000 0.462 58 L N 2.454 123.760 121.223 0.139 0.000 2.593 58 L HA 0.068 4.409 4.340 0.001 0.000 0.287 58 L C 1.329 178.329 176.870 0.217 0.000 1.243 58 L CA 1.134 56.110 54.840 0.227 0.000 0.890 58 L CB -0.246 41.995 42.059 0.304 0.000 1.134 58 L HN 0.811 nan 8.230 nan 0.000 0.502 59 R N 1.949 122.574 120.500 0.208 0.000 2.164 59 R HA 0.175 4.515 4.340 0.001 0.000 0.198 59 R C -1.757 174.602 176.300 0.099 0.000 1.028 59 R CA -0.291 55.896 56.100 0.145 0.000 1.083 59 R CB -0.541 29.830 30.300 0.119 0.000 1.026 59 R HN 0.485 nan 8.270 nan 0.000 0.514 60 P HA 0.030 nan 4.420 nan 0.000 0.269 60 P C -0.382 176.735 177.300 -0.306 0.000 1.215 60 P CA 0.585 63.572 63.100 -0.188 0.000 0.780 60 P CB 1.070 32.557 31.700 -0.354 0.000 0.898 61 T N 0.238 114.637 114.554 -0.259 0.000 2.864 61 T HA 0.636 4.986 4.350 0.001 0.000 0.299 61 T C -1.529 173.127 174.700 -0.073 0.000 1.166 61 T CA -0.488 61.560 62.100 -0.086 0.000 1.007 61 T CB 0.824 69.742 68.868 0.084 0.000 1.219 61 T HN 0.237 nan 8.240 nan 0.000 0.506 62 S N 2.145 117.892 115.700 0.078 0.000 2.626 62 S HA 0.546 5.016 4.470 0.001 0.000 0.275 62 S C -1.522 173.134 174.600 0.093 0.000 1.175 62 S CA -0.716 57.565 58.200 0.135 0.000 0.982 62 S CB 0.326 63.602 63.200 0.126 0.000 1.093 62 S HN 0.555 nan 8.310 nan 0.000 0.472 63 I N 4.901 125.458 120.570 -0.022 0.000 2.331 63 I HA 0.355 4.525 4.170 0.001 0.000 0.292 63 I C 0.296 175.932 176.117 -0.801 0.000 0.998 63 I CA -0.438 60.562 61.300 -0.500 0.000 1.267 63 I CB 0.777 38.258 38.000 -0.865 0.000 1.386 63 I HN 0.761 nan 8.210 nan 0.000 0.476 64 H N 6.148 124.687 119.070 -0.886 0.000 2.458 64 H HA 0.411 4.968 4.556 0.001 0.000 0.330 64 H C -1.468 173.207 175.328 -1.088 0.000 1.111 64 H CA -0.600 54.944 56.048 -0.839 0.000 1.245 64 H CB 0.830 30.314 29.762 -0.462 0.000 1.456 64 H HN 0.418 nan 8.280 nan 0.000 0.488 65 W N 5.208 125.993 121.300 -0.860 0.000 2.296 65 W HA 0.209 4.870 4.660 0.001 0.000 0.333 65 W C -0.134 175.780 176.519 -1.009 0.000 0.931 65 W CA -0.932 55.928 57.345 -0.807 0.000 1.538 65 W CB -0.306 28.635 29.460 -0.865 0.000 1.417 65 W HN 0.678 nan 8.180 nan 0.000 0.380 66 H N 1.657 120.163 119.070 -0.939 0.000 2.975 66 H HA 0.362 4.919 4.556 0.001 0.000 0.303 66 H C 1.436 176.607 175.328 -0.262 0.000 1.023 66 H CA 1.705 57.304 56.048 -0.748 0.000 1.473 66 H CB 0.524 29.875 29.762 -0.684 0.000 1.498 66 H HN 0.784 nan 8.280 nan 0.000 0.549 67 G N 3.676 112.429 108.800 -0.077 0.000 2.232 67 G HA2 -0.261 3.699 3.960 0.001 0.000 0.226 67 G HA3 -0.261 3.699 3.960 0.001 0.000 0.226 67 G C -0.420 174.231 174.900 -0.414 0.000 0.996 67 G CA -0.040 45.106 45.100 0.077 0.000 0.626 67 G HN 0.570 nan 8.290 nan 0.000 0.509 68 L N 1.484 122.321 121.223 -0.644 0.000 2.367 68 L HA 0.621 4.962 4.340 0.001 0.000 0.275 68 L C 1.461 178.134 176.870 -0.328 0.000 1.129 68 L CA -0.227 54.198 54.840 -0.692 0.000 0.839 68 L CB 0.259 41.869 42.059 -0.748 0.000 1.133 68 L HN 0.037 nan 8.230 nan 0.000 0.453 69 F N 0.358 120.162 119.950 -0.244 0.000 2.456 69 F HA -0.006 4.522 4.527 0.001 0.000 0.298 69 F C 1.217 176.835 175.800 -0.303 0.000 1.104 69 F CA -0.123 57.675 58.000 -0.337 0.000 1.435 69 F CB -0.566 38.247 39.000 -0.311 0.000 1.078 69 F HN 0.495 nan 8.300 nan 0.000 0.546 70 Q N 0.527 120.311 119.800 -0.026 0.000 2.453 70 Q HA -0.280 4.060 4.340 0.001 0.000 0.294 70 Q C 0.356 176.449 176.000 0.154 0.000 1.295 70 Q CA 0.479 56.300 55.803 0.029 0.000 0.853 70 Q CB -1.646 27.163 28.738 0.117 0.000 1.193 70 Q HN 0.527 nan 8.270 nan 0.000 0.461 71 R N -0.067 120.499 120.500 0.110 0.000 2.370 71 R HA 0.249 4.590 4.340 0.001 0.000 0.309 71 R C 1.361 177.731 176.300 0.117 0.000 1.059 71 R CA 1.347 57.525 56.100 0.129 0.000 0.981 71 R CB -0.004 30.349 30.300 0.090 0.000 0.972 71 R HN 0.498 nan 8.270 nan 0.000 0.437 72 G N 2.708 111.591 108.800 0.138 0.000 2.205 72 G HA2 -0.308 3.652 3.960 0.001 0.000 0.261 72 G HA3 -0.308 3.652 3.960 0.001 0.000 0.261 72 G C 0.317 175.278 174.900 0.101 0.000 0.980 72 G CA 0.641 45.810 45.100 0.116 0.000 0.632 72 G HN 0.715 nan 8.290 nan 0.000 0.533 73 T N -2.289 112.268 114.554 0.005 0.000 3.633 73 T HA 0.378 4.729 4.350 0.001 0.000 0.278 73 T C 0.987 175.455 174.700 -0.387 0.000 0.991 73 T CA 0.597 62.510 62.100 -0.311 0.000 1.036 73 T CB 0.301 68.939 68.868 -0.383 0.000 1.148 73 T HN 0.197 nan 8.240 nan 0.000 0.501 74 N N 1.928 120.543 118.700 -0.142 0.000 2.258 74 N HA -0.125 4.616 4.740 0.001 0.000 0.187 74 N C 1.575 176.969 175.510 -0.193 0.000 1.012 74 N CA 1.810 54.744 53.050 -0.193 0.000 0.870 74 N CB -0.095 38.151 38.487 -0.402 0.000 0.977 74 N HN 0.874 nan 8.380 nan 0.000 0.434 75 W N -0.120 121.058 121.300 -0.202 0.000 2.611 75 W HA 0.204 4.865 4.660 0.001 0.000 0.251 75 W C 1.010 177.593 176.519 0.107 0.000 1.265 75 W CA 0.478 57.642 57.345 -0.301 0.000 1.295 75 W CB -0.613 28.312 29.460 -0.891 0.000 1.129 75 W HN 0.048 nan 8.180 nan 0.000 0.630 76 A N 0.574 123.183 122.820 -0.352 0.000 2.430 76 A HA 0.075 4.395 4.320 0.001 0.000 0.243 76 A C 1.335 179.097 177.584 0.298 0.000 1.254 76 A CA 0.552 52.622 52.037 0.055 0.000 0.914 76 A CB -0.548 18.178 19.000 -0.457 0.000 0.998 76 A HN 0.103 nan 8.150 nan 0.000 0.515 77 D N -0.184 120.340 120.400 0.207 0.000 2.224 77 D HA 0.087 4.727 4.640 0.001 0.000 0.205 77 D C 1.584 178.082 176.300 0.331 0.000 0.965 77 D CA 1.859 56.045 54.000 0.311 0.000 0.852 77 D CB -0.029 41.013 40.800 0.403 0.000 0.947 77 D HN 0.577 nan 8.370 nan 0.000 0.494 78 G N -0.834 108.144 108.800 0.295 0.000 2.157 78 G HA2 -0.200 3.761 3.960 0.001 0.000 0.248 78 G HA3 -0.200 3.761 3.960 0.001 0.000 0.248 78 G C 0.375 175.295 174.900 0.033 0.000 0.979 78 G CA 0.330 45.555 45.100 0.208 0.000 0.650 78 G HN 0.691 nan 8.290 nan 0.000 0.529 79 A N 1.662 124.399 122.820 -0.138 0.000 2.343 79 A HA 0.538 4.859 4.320 0.001 0.000 0.305 79 A C 0.662 178.153 177.584 -0.155 0.000 1.308 79 A CA 0.267 52.085 52.037 -0.366 0.000 0.949 79 A CB 0.144 18.746 19.000 -0.662 0.000 1.148 79 A HN 0.687 nan 8.150 nan 0.000 0.545 80 D N 2.078 122.484 120.400 0.011 0.000 2.443 80 D HA 0.288 4.928 4.640 0.001 0.000 0.239 80 D C 0.986 177.266 176.300 -0.033 0.000 1.136 80 D CA 0.734 54.743 54.000 0.014 0.000 0.879 80 D CB 0.901 41.772 40.800 0.118 0.000 1.195 80 D HN 1.176 nan 8.370 nan 0.000 0.443 81 G N 0.732 109.491 108.800 -0.067 0.000 2.225 81 G HA2 -0.291 3.670 3.960 0.001 0.000 0.254 81 G HA3 -0.291 3.670 3.960 0.001 0.000 0.254 81 G C 0.637 175.438 174.900 -0.166 0.000 0.988 81 G CA 0.386 45.442 45.100 -0.073 0.000 0.625 81 G HN 0.571 nan 8.290 nan 0.000 0.527 82 V N -0.545 119.220 119.914 -0.249 0.000 3.161 82 V HA 0.186 4.307 4.120 0.001 0.000 0.221 82 V C 1.828 177.831 176.094 -0.152 0.000 1.296 82 V CA 1.777 63.888 62.300 -0.315 0.000 1.306 82 V CB -0.012 31.427 31.823 -0.641 0.000 1.171 82 V HN 0.293 nan 8.190 nan 0.000 0.513 83 N N 0.377 119.024 118.700 -0.088 0.000 2.294 83 N HA 0.193 4.934 4.740 0.001 0.000 0.186 83 N C 0.315 176.043 175.510 0.364 0.000 1.107 83 N CA 0.044 53.144 53.050 0.084 0.000 0.884 83 N CB 0.554 39.064 38.487 0.038 0.000 1.030 83 N HN 0.727 nan 8.380 nan 0.000 0.482 84 Q N -1.302 118.604 119.800 0.176 0.000 2.687 84 Q HA 0.474 4.815 4.340 0.001 0.000 0.295 84 Q C -1.691 174.203 176.000 -0.176 0.000 0.920 84 Q CA -0.970 54.872 55.803 0.066 0.000 0.766 84 Q CB 0.889 29.688 28.738 0.103 0.000 1.467 84 Q HN -0.090 nan 8.270 nan 0.000 0.415 85 c N 1.550 119.929 118.600 -0.367 0.000 2.351 85 c HA 0.649 5.219 4.570 0.001 0.000 0.359 85 c C -2.163 171.620 174.090 -0.512 0.000 1.193 85 c CA -1.033 55.041 56.329 -0.426 0.000 2.270 85 c CB 0.589 42.842 42.510 -0.428 0.000 2.369 85 c HN 0.666 nan 8.230 nan 0.000 0.553 86 P HA 0.171 nan 4.420 nan 0.000 0.268 86 P C -0.787 176.216 177.300 -0.496 0.000 1.208 86 P CA 0.287 62.970 63.100 -0.696 0.000 0.777 86 P CB 0.202 31.221 31.700 -1.134 0.000 0.875 87 I N 0.980 121.378 120.570 -0.286 0.000 2.416 87 I HA 0.097 4.268 4.170 0.001 0.000 0.288 87 I C 0.700 176.781 176.117 -0.060 0.000 1.051 87 I CA 0.102 61.329 61.300 -0.122 0.000 1.375 87 I CB 0.400 38.428 38.000 0.046 0.000 1.407 87 I HN 0.230 nan 8.210 nan 0.000 0.516 88 S N 7.224 122.936 115.700 0.021 0.000 2.616 88 S HA 0.356 4.827 4.470 0.001 0.000 0.277 88 S C -2.326 172.406 174.600 0.219 0.000 1.234 88 S CA -1.203 57.070 58.200 0.122 0.000 1.028 88 S CB 0.909 64.179 63.200 0.117 0.000 0.988 88 S HN 0.390 nan 8.310 nan 0.000 0.522 89 P HA 0.134 nan 4.420 nan 0.000 0.262 89 P C 0.895 178.284 177.300 0.148 0.000 1.182 89 P CA 1.087 64.273 63.100 0.143 0.000 0.761 89 P CB -0.012 31.752 31.700 0.107 0.000 0.795 90 G N 1.030 109.858 108.800 0.046 0.000 2.176 90 G HA2 -0.176 3.785 3.960 0.001 0.000 0.253 90 G HA3 -0.176 3.785 3.960 0.001 0.000 0.253 90 G C 0.152 174.851 174.900 -0.335 0.000 0.979 90 G CA -0.254 44.768 45.100 -0.129 0.000 0.641 90 G HN 0.695 nan 8.290 nan 0.000 0.530 91 H N -0.112 118.998 119.070 0.067 0.000 2.797 91 H HA 0.788 5.345 4.556 0.001 0.000 0.362 91 H C 0.164 175.557 175.328 0.107 0.000 1.183 91 H CA 0.021 56.115 56.048 0.077 0.000 1.197 91 H CB 2.046 31.849 29.762 0.067 0.000 1.835 91 H HN 0.634 nan 8.280 nan 0.000 0.567 92 A N 1.189 124.164 122.820 0.259 0.000 2.413 92 A HA 0.626 4.947 4.320 0.001 0.000 0.307 92 A C -1.819 175.956 177.584 0.318 0.000 1.087 92 A CA -0.525 51.656 52.037 0.239 0.000 0.750 92 A CB 1.705 20.803 19.000 0.164 0.000 1.296 92 A HN 0.456 nan 8.150 nan 0.000 0.423 93 F N 1.055 121.082 119.950 0.129 0.000 2.574 93 F HA 0.582 5.110 4.527 0.001 0.000 0.313 93 F C -1.489 174.378 175.800 0.112 0.000 1.130 93 F CA -1.077 56.967 58.000 0.073 0.000 0.936 93 F CB 1.961 40.954 39.000 -0.012 0.000 1.219 93 F HN 0.487 nan 8.300 nan 0.000 0.445 94 L N 7.304 128.085 121.223 -0.738 0.000 2.255 94 L HA 0.463 4.803 4.340 0.001 0.000 0.289 94 L C -1.654 174.922 176.870 -0.490 0.000 1.046 94 L CA -0.247 54.352 54.840 -0.401 0.000 0.816 94 L CB 0.001 41.922 42.059 -0.230 0.000 1.197 94 L HN 0.515 nan 8.230 nan 0.000 0.427 95 Y N 4.589 124.872 120.300 -0.027 0.000 2.304 95 Y HA 0.490 5.041 4.550 0.001 0.000 0.328 95 Y C 0.223 176.137 175.900 0.023 0.000 1.123 95 Y CA -0.143 58.056 58.100 0.165 0.000 1.218 95 Y CB 1.080 39.786 38.460 0.411 0.000 1.207 95 Y HN 0.431 nan 8.280 nan 0.000 0.495 96 K N 5.193 125.717 120.400 0.207 0.000 2.541 96 K HA 0.537 4.857 4.320 0.001 0.000 0.250 96 K C -1.540 175.056 176.600 -0.006 0.000 0.950 96 K CA -0.563 55.736 56.287 0.022 0.000 0.805 96 K CB 1.666 34.271 32.500 0.175 0.000 1.166 96 K HN 0.603 nan 8.250 nan 0.000 0.430 97 F N -1.790 118.075 119.950 -0.142 0.000 2.877 97 F HA 0.630 5.158 4.527 0.001 0.000 0.319 97 F C -0.940 174.795 175.800 -0.108 0.000 1.174 97 F CA -1.002 56.877 58.000 -0.202 0.000 0.903 97 F CB 1.743 40.514 39.000 -0.382 0.000 1.357 97 F HN 0.260 nan 8.300 nan 0.000 0.472 98 T N -0.291 114.347 114.554 0.141 0.000 2.923 98 T HA 0.524 4.874 4.350 0.001 0.000 0.311 98 T C -2.591 172.146 174.700 0.062 0.000 1.183 98 T CA -1.585 60.572 62.100 0.096 0.000 1.020 98 T CB 1.867 70.776 68.868 0.069 0.000 1.165 98 T HN 0.461 nan 8.240 nan 0.000 0.482 99 P HA 0.204 nan 4.420 nan 0.000 0.226 99 P C 0.551 177.847 177.300 -0.006 0.000 1.153 99 P CA 1.029 64.082 63.100 -0.078 0.000 0.777 99 P CB -0.117 31.543 31.700 -0.066 0.000 0.794 100 A N -0.990 121.855 122.820 0.042 0.000 2.687 100 A HA 0.015 4.336 4.320 0.001 0.000 0.299 100 A C 1.421 179.047 177.584 0.070 0.000 1.497 100 A CA 1.170 53.240 52.037 0.056 0.000 0.751 100 A CB -2.249 16.785 19.000 0.057 0.000 1.048 100 A HN 0.581 nan 8.150 nan 0.000 0.464 101 G N -1.912 106.936 108.800 0.079 0.000 2.199 101 G HA2 -0.292 3.669 3.960 0.001 0.000 0.254 101 G HA3 -0.292 3.669 3.960 0.001 0.000 0.254 101 G C 0.044 175.026 174.900 0.136 0.000 0.982 101 G CA 1.084 46.239 45.100 0.093 0.000 0.632 101 G HN 2.135 nan 8.290 nan 0.000 0.529 102 H N 0.841 119.902 119.070 -0.016 0.000 2.820 102 H HA 0.651 5.208 4.556 0.001 0.000 0.278 102 H C 0.566 175.930 175.328 0.060 0.000 1.142 102 H CA -0.043 55.985 56.048 -0.034 0.000 1.346 102 H CB 0.372 29.977 29.762 -0.261 0.000 1.438 102 H HN 0.516 nan 8.280 nan 0.000 0.473 103 A N 3.751 126.683 122.820 0.186 0.000 2.269 103 A HA 0.777 5.098 4.320 0.001 0.000 0.319 103 A C 0.310 177.866 177.584 -0.048 0.000 1.110 103 A CA 0.210 52.291 52.037 0.074 0.000 0.847 103 A CB 1.237 20.283 19.000 0.076 0.000 1.161 103 A HN 0.952 nan 8.150 nan 0.000 0.497 104 G N -1.127 107.532 108.800 -0.236 0.000 2.341 104 G HA2 0.452 4.413 3.960 0.001 0.000 0.293 104 G HA3 0.452 4.413 3.960 0.001 0.000 0.293 104 G C -0.918 173.385 174.900 -0.996 0.000 1.298 104 G CA -0.191 44.525 45.100 -0.640 0.000 0.868 104 G HN 0.936 nan 8.290 nan 0.000 0.540 105 T N 1.077 115.015 114.554 -1.027 0.000 2.749 105 T HA 0.727 5.077 4.350 0.001 0.000 0.287 105 T C -0.817 173.340 174.700 -0.904 0.000 0.970 105 T CA 0.146 61.795 62.100 -0.750 0.000 0.980 105 T CB 0.651 69.259 68.868 -0.434 0.000 0.924 105 T HN 0.379 nan 8.240 nan 0.000 0.456 106 F N 1.193 121.114 119.950 -0.049 0.000 2.953 106 F HA 0.838 5.366 4.527 0.001 0.000 0.360 106 F C -0.877 175.070 175.800 0.245 0.000 1.249 106 F CA -1.094 56.945 58.000 0.065 0.000 1.063 106 F CB 1.277 40.258 39.000 -0.031 0.000 1.500 106 F HN 0.599 nan 8.300 nan 0.000 0.517 107 W N 0.292 121.689 121.300 0.161 0.000 3.153 107 W HA 0.530 5.191 4.660 0.002 0.000 0.316 107 W C -2.416 174.183 176.519 0.132 0.000 1.255 107 W CA -1.964 55.427 57.345 0.077 0.000 1.192 107 W CB -0.163 29.246 29.460 -0.085 0.000 1.400 107 W HN 0.581 nan 8.180 nan 0.000 0.568 108 Y N 0.609 120.933 120.300 0.039 0.000 2.446 108 Y HA 0.817 5.368 4.550 0.001 0.000 0.338 108 Y C -0.516 175.218 175.900 -0.276 0.000 1.055 108 Y CA -1.264 56.659 58.100 -0.294 0.000 1.101 108 Y CB 1.483 39.842 38.460 -0.169 0.000 1.221 108 Y HN 0.654 nan 8.280 nan 0.000 0.460 109 H N -1.177 117.600 119.070 -0.489 0.000 3.068 109 H HA 0.481 5.038 4.556 0.001 0.000 0.342 109 H C -1.139 174.057 175.328 -0.220 0.000 1.284 109 H CA -1.061 54.743 56.048 -0.408 0.000 1.181 109 H CB 0.959 30.239 29.762 -0.804 0.000 1.898 109 H HN 0.798 nan 8.280 nan 0.000 0.540 110 S N 0.318 116.080 115.700 0.104 0.000 2.560 110 S HA -0.049 4.422 4.470 0.001 0.000 0.284 110 S C 0.267 175.014 174.600 0.246 0.000 1.327 110 S CA -0.243 58.052 58.200 0.159 0.000 1.055 110 S CB 0.112 63.473 63.200 0.269 0.000 0.868 110 S HN 0.857 nan 8.310 nan 0.000 0.506 111 H N 3.310 122.466 119.070 0.143 0.000 2.594 111 H HA 0.217 4.774 4.556 0.001 0.000 0.279 111 H C -0.686 174.781 175.328 0.231 0.000 1.042 111 H CA -0.186 55.970 56.048 0.179 0.000 1.177 111 H CB 0.094 29.912 29.762 0.093 0.000 1.524 111 H HN 0.616 nan 8.280 nan 0.000 0.537 112 F N 1.493 121.547 119.950 0.174 0.000 2.375 112 F HA 0.395 4.923 4.527 0.001 0.000 0.362 112 F C 1.138 176.992 175.800 0.091 0.000 1.129 112 F CA 0.694 58.768 58.000 0.124 0.000 1.154 112 F CB -0.090 38.967 39.000 0.094 0.000 1.205 112 F HN 0.371 nan 8.300 nan 0.000 0.513 113 G N 4.457 113.016 108.800 -0.401 0.000 2.574 113 G HA2 -0.345 3.615 3.960 0.001 0.000 0.282 113 G HA3 -0.345 3.615 3.960 0.001 0.000 0.282 113 G C 0.627 175.407 174.900 -0.199 0.000 1.257 113 G CA 0.284 45.163 45.100 -0.367 0.000 0.956 113 G HN 1.252 nan 8.290 nan 0.000 0.560 114 T N -1.795 112.645 114.554 -0.190 0.000 3.244 114 T HA 0.384 4.734 4.350 0.001 0.000 0.254 114 T C 1.633 176.262 174.700 -0.118 0.000 1.024 114 T CA 1.174 63.133 62.100 -0.234 0.000 0.920 114 T CB 0.829 69.568 68.868 -0.215 0.000 1.042 114 T HN 0.738 nan 8.240 nan 0.000 0.572 115 Q N 0.716 120.533 119.800 0.028 0.000 2.170 115 Q HA -0.188 4.153 4.340 0.001 0.000 0.203 115 Q C 1.876 177.988 176.000 0.186 0.000 0.976 115 Q CA 1.684 57.569 55.803 0.137 0.000 0.858 115 Q CB -0.328 28.561 28.738 0.252 0.000 0.907 115 Q HN 0.941 nan 8.270 nan 0.000 0.433 116 Y N -1.476 118.893 120.300 0.115 0.000 2.293 116 Y HA -0.141 4.410 4.550 0.001 0.000 0.291 116 Y C 1.996 178.002 175.900 0.176 0.000 1.137 116 Y CA 0.875 59.073 58.100 0.163 0.000 1.202 116 Y CB -0.995 37.571 38.460 0.177 0.000 0.990 116 Y HN 0.129 nan 8.280 nan 0.000 0.537 117 c N 1.079 119.545 118.600 -0.223 0.000 2.419 117 c HA -0.141 4.429 4.570 0.001 0.000 0.283 117 c C 1.516 175.658 174.090 0.086 0.000 1.373 117 c CA 1.034 57.291 56.329 -0.120 0.000 1.781 117 c CB -0.941 41.413 42.510 -0.261 0.000 1.886 117 c HN 0.568 nan 8.230 nan 0.000 0.520 118 D N -0.308 120.155 120.400 0.106 0.000 2.358 118 D HA 0.242 4.882 4.640 0.001 0.000 0.224 118 D C 1.650 178.145 176.300 0.324 0.000 1.123 118 D CA 1.023 55.096 54.000 0.122 0.000 0.833 118 D CB 0.179 41.023 40.800 0.073 0.000 0.946 118 D HN 0.615 nan 8.370 nan 0.000 0.505 119 G N 0.977 110.047 108.800 0.451 0.000 2.184 119 G HA2 -0.238 3.722 3.960 0.001 0.000 0.206 119 G HA3 -0.238 3.722 3.960 0.001 0.000 0.206 119 G C 0.189 175.334 174.900 0.409 0.000 0.995 119 G CA -0.352 45.063 45.100 0.525 0.000 0.651 119 G HN 0.276 nan 8.290 nan 0.000 0.511 120 L N 2.783 124.217 121.223 0.352 0.000 2.387 120 L HA 0.723 5.064 4.340 0.001 0.000 0.267 120 L C 0.690 177.737 176.870 0.295 0.000 1.197 120 L CA -0.298 54.733 54.840 0.319 0.000 1.070 120 L CB -1.189 41.041 42.059 0.286 0.000 1.349 120 L HN 0.574 nan 8.230 nan 0.000 0.422 121 R N 1.930 122.541 120.500 0.186 0.000 2.753 121 R HA 0.860 5.201 4.340 0.001 0.000 0.272 121 R C -0.919 175.190 176.300 -0.319 0.000 1.034 121 R CA -0.762 55.316 56.100 -0.037 0.000 0.869 121 R CB 0.824 31.329 30.300 0.342 0.000 1.264 121 R HN 0.385 nan 8.270 nan 0.000 0.481 122 G N 0.624 109.025 108.800 -0.666 0.000 2.368 122 G HA2 0.497 4.457 3.960 0.001 0.000 0.293 122 G HA3 0.497 4.457 3.960 0.001 0.000 0.293 122 G C -3.268 171.547 174.900 -0.142 0.000 1.467 122 G CA -1.046 43.831 45.100 -0.373 0.000 0.804 122 G HN 0.427 nan 8.290 nan 0.000 0.535 123 P HA 0.446 nan 4.420 nan 0.000 0.278 123 P C -0.676 176.821 177.300 0.328 0.000 1.238 123 P CA -0.283 62.921 63.100 0.173 0.000 0.794 123 P CB 1.562 33.299 31.700 0.062 0.000 0.955 124 M N 2.829 122.607 119.600 0.297 0.000 2.149 124 M HA 0.324 4.805 4.480 0.001 0.000 0.273 124 M C -2.065 174.339 176.300 0.175 0.000 0.972 124 M CA -0.675 54.810 55.300 0.309 0.000 0.984 124 M CB 1.467 34.309 32.600 0.403 0.000 1.699 124 M HN -0.052 nan 8.290 nan 0.000 0.462 125 V N 6.113 126.066 119.914 0.065 0.000 2.409 125 V HA 0.514 4.635 4.120 0.001 0.000 0.291 125 V C -0.423 175.549 176.094 -0.203 0.000 1.020 125 V CA -0.701 61.487 62.300 -0.187 0.000 0.848 125 V CB 1.779 33.366 31.823 -0.393 0.000 0.990 125 V HN 0.658 nan 8.190 nan 0.000 0.430 126 I N 5.507 125.973 120.570 -0.173 0.000 2.337 126 I HA 0.370 4.541 4.170 0.001 0.000 0.285 126 I C -0.243 175.780 176.117 -0.156 0.000 1.041 126 I CA -0.932 60.347 61.300 -0.035 0.000 1.199 126 I CB 0.495 38.587 38.000 0.154 0.000 1.370 126 I HN 0.480 nan 8.210 nan 0.000 0.470 127 Y N 3.508 123.855 120.300 0.079 0.000 2.346 127 Y HA 0.187 4.737 4.550 0.001 0.000 0.330 127 Y C 0.921 176.857 175.900 0.061 0.000 1.178 127 Y CA 0.015 58.148 58.100 0.056 0.000 1.331 127 Y CB 0.518 39.007 38.460 0.048 0.000 1.253 127 Y HN 0.419 nan 8.280 nan 0.000 0.529 128 D N 2.128 122.662 120.400 0.224 0.000 2.349 128 D HA 0.083 4.724 4.640 0.001 0.000 0.232 128 D C 0.062 176.439 176.300 0.129 0.000 1.071 128 D CA -0.609 53.479 54.000 0.146 0.000 0.832 128 D CB 0.897 41.768 40.800 0.117 0.000 1.086 128 D HN 0.651 nan 8.370 nan 0.000 0.504 129 D N 2.021 122.479 120.400 0.097 0.000 2.371 129 D HA -0.091 4.549 4.640 0.001 0.000 0.221 129 D C -0.004 176.325 176.300 0.048 0.000 0.986 129 D CA 0.485 54.523 54.000 0.064 0.000 0.899 129 D CB -0.373 40.454 40.800 0.045 0.000 0.902 129 D HN 0.286 nan 8.370 nan 0.000 0.530 130 N N 0.151 118.882 118.700 0.050 0.000 2.338 130 N HA 0.031 4.772 4.740 0.001 0.000 0.251 130 N C -0.734 174.798 175.510 0.037 0.000 1.199 130 N CA -0.423 52.648 53.050 0.035 0.000 0.879 130 N CB 0.654 39.159 38.487 0.030 0.000 1.159 130 N HN 0.049 nan 8.380 nan 0.000 0.514 131 D N 1.734 122.170 120.400 0.060 0.000 2.520 131 D HA -0.036 4.605 4.640 0.001 0.000 0.243 131 D C -1.293 175.024 176.300 0.029 0.000 1.160 131 D CA -0.883 53.159 54.000 0.071 0.000 0.877 131 D CB 1.161 42.052 40.800 0.151 0.000 1.150 131 D HN 0.127 nan 8.370 nan 0.000 0.494 132 P HA -0.129 nan 4.420 nan 0.000 0.220 132 P C 0.501 177.766 177.300 -0.059 0.000 1.144 132 P CA 1.100 64.148 63.100 -0.086 0.000 0.800 132 P CB 0.199 31.778 31.700 -0.202 0.000 0.772 133 H N -2.249 116.854 119.070 0.054 0.000 2.542 133 H HA 0.429 4.986 4.556 0.001 0.000 0.283 133 H C 1.631 176.872 175.328 -0.145 0.000 1.059 133 H CA -0.157 55.919 56.048 0.046 0.000 1.162 133 H CB -0.204 29.675 29.762 0.195 0.000 1.539 133 H HN -0.006 nan 8.280 nan 0.000 0.543 134 A N 0.706 123.469 122.820 -0.095 0.000 2.019 134 A HA -0.083 4.238 4.320 0.001 0.000 0.219 134 A C 2.449 179.765 177.584 -0.447 0.000 1.164 134 A CA 1.397 53.190 52.037 -0.406 0.000 0.644 134 A CB -0.394 18.502 19.000 -0.173 0.000 0.805 134 A HN 0.371 nan 8.150 nan 0.000 0.449 135 A N -1.211 121.478 122.820 -0.218 0.000 2.168 135 A HA 0.170 4.490 4.320 0.001 0.000 0.215 135 A C 1.708 179.181 177.584 -0.185 0.000 1.152 135 A CA 1.058 52.993 52.037 -0.169 0.000 0.716 135 A CB -0.287 18.671 19.000 -0.070 0.000 0.794 135 A HN 0.367 nan 8.150 nan 0.000 0.465 136 L N -1.276 119.813 121.223 -0.223 0.000 2.492 136 L HA 0.163 4.504 4.340 0.001 0.000 0.223 136 L C 0.275 177.133 176.870 -0.019 0.000 1.132 136 L CA 0.829 55.621 54.840 -0.080 0.000 0.850 136 L CB -0.906 41.164 42.059 0.018 0.000 0.966 136 L HN 0.648 nan 8.230 nan 0.000 0.454 137 Y N -5.636 114.645 120.300 -0.030 0.000 2.625 137 Y HA 0.487 5.037 4.550 0.001 0.000 0.338 137 Y C 0.483 176.323 175.900 -0.099 0.000 1.123 137 Y CA -1.392 56.665 58.100 -0.070 0.000 1.046 137 Y CB 0.283 38.704 38.460 -0.066 0.000 1.299 137 Y HN -0.211 nan 8.280 nan 0.000 0.464 138 D N -0.120 120.288 120.400 0.012 0.000 2.323 138 D HA 0.052 4.693 4.640 0.001 0.000 0.218 138 D C -0.363 175.910 176.300 -0.044 0.000 0.973 138 D CA 0.966 54.917 54.000 -0.082 0.000 0.890 138 D CB 0.667 41.351 40.800 -0.194 0.000 1.011 138 D HN 0.559 nan 8.370 nan 0.000 0.499 139 E N 0.874 121.022 120.200 -0.086 0.000 2.266 139 E HA 0.417 4.767 4.350 0.001 0.000 0.268 139 E C -1.277 175.337 176.600 0.024 0.000 0.879 139 E CA -0.422 55.939 56.400 -0.066 0.000 0.762 139 E CB 2.686 32.280 29.700 -0.177 0.000 1.199 139 E HN -0.132 nan 8.360 nan 0.000 0.422 140 D N 2.066 122.493 120.400 0.044 0.000 2.319 140 D HA 0.254 4.895 4.640 0.001 0.000 0.237 140 D C -1.562 174.763 176.300 0.041 0.000 1.353 140 D CA -0.305 53.708 54.000 0.021 0.000 0.992 140 D CB 0.423 41.245 40.800 0.036 0.000 1.368 140 D HN 0.419 nan 8.370 nan 0.000 0.564 141 D N 0.761 121.195 120.400 0.057 0.000 3.057 141 D HA 0.145 4.786 4.640 0.001 0.000 0.328 141 D C 1.165 177.519 176.300 0.090 0.000 1.317 141 D CA -0.540 53.486 54.000 0.043 0.000 0.973 141 D CB 0.084 40.877 40.800 -0.011 0.000 1.424 141 D HN 0.106 nan 8.370 nan 0.000 0.569 142 E N 0.277 120.520 120.200 0.072 0.000 2.265 142 E HA -0.203 4.148 4.350 0.001 0.000 0.196 142 E C 0.256 176.871 176.600 0.024 0.000 0.996 142 E CA 1.167 57.607 56.400 0.067 0.000 0.832 142 E CB -0.729 29.007 29.700 0.061 0.000 0.756 142 E HN 0.519 nan 8.360 nan 0.000 0.491 143 N N 0.620 119.326 118.700 0.011 0.000 2.398 143 N HA -0.025 4.715 4.740 0.001 0.000 0.188 143 N C 0.606 176.088 175.510 -0.046 0.000 1.122 143 N CA 1.003 54.042 53.050 -0.018 0.000 0.866 143 N CB 0.456 38.935 38.487 -0.013 0.000 0.970 143 N HN 0.312 nan 8.380 nan 0.000 0.462 144 T N -2.155 112.378 114.554 -0.036 0.000 3.215 144 T HA 0.353 4.704 4.350 0.001 0.000 0.271 144 T C 0.205 174.827 174.700 -0.131 0.000 1.012 144 T CA -0.328 61.719 62.100 -0.089 0.000 0.899 144 T CB -0.315 68.518 68.868 -0.059 0.000 1.089 144 T HN -0.039 nan 8.240 nan 0.000 0.552 145 I N 1.710 122.222 120.570 -0.097 0.000 2.353 145 I HA 0.488 4.658 4.170 0.001 0.000 0.293 145 I C -0.399 175.644 176.117 -0.124 0.000 0.992 145 I CA -1.182 60.049 61.300 -0.116 0.000 1.268 145 I CB 1.628 39.586 38.000 -0.070 0.000 1.387 145 I HN 0.177 nan 8.210 nan 0.000 0.478 146 I N 5.577 126.052 120.570 -0.159 0.000 2.448 146 I HA 0.229 4.400 4.170 0.001 0.000 0.281 146 I C -0.008 175.980 176.117 -0.215 0.000 1.027 146 I CA -0.430 60.777 61.300 -0.155 0.000 1.111 146 I CB 1.749 39.678 38.000 -0.117 0.000 1.236 146 I HN 0.543 nan 8.210 nan 0.000 0.452 147 T N 4.909 119.338 114.554 -0.208 0.000 2.867 147 T HA 0.735 5.085 4.350 0.001 0.000 0.282 147 T C -0.461 174.040 174.700 -0.331 0.000 1.000 147 T CA -0.726 61.215 62.100 -0.265 0.000 1.042 147 T CB 1.495 70.232 68.868 -0.218 0.000 0.973 147 T HN 0.313 nan 8.240 nan 0.000 0.465 148 L N 2.210 123.165 121.223 -0.448 0.000 2.322 148 L HA 0.790 5.130 4.340 0.001 0.000 0.281 148 L C 0.024 176.571 176.870 -0.539 0.000 1.014 148 L CA -1.101 53.302 54.840 -0.729 0.000 0.815 148 L CB 1.589 42.959 42.059 -1.148 0.000 1.247 148 L HN 1.005 nan 8.230 nan 0.000 0.421 149 A N 1.921 124.526 122.820 -0.358 0.000 2.486 149 A HA 0.638 4.959 4.320 0.001 0.000 0.300 149 A C -1.554 176.245 177.584 0.357 0.000 1.048 149 A CA -0.800 51.304 52.037 0.112 0.000 0.696 149 A CB 1.479 20.532 19.000 0.088 0.000 1.278 149 A HN 0.700 nan 8.150 nan 0.000 0.405 150 D N 1.210 121.906 120.400 0.492 0.000 2.256 150 D HA 0.346 4.987 4.640 0.001 0.000 0.250 150 D C -0.500 175.898 176.300 0.163 0.000 1.093 150 D CA -0.217 53.952 54.000 0.283 0.000 0.882 150 D CB 1.163 42.035 40.800 0.121 0.000 1.185 150 D HN 0.604 nan 8.370 nan 0.000 0.437 151 W N 2.774 123.876 121.300 -0.329 0.000 2.883 151 W HA 0.399 5.059 4.660 0.000 0.000 0.335 151 W C -1.943 174.187 176.519 -0.647 0.000 1.083 151 W CA -0.917 56.252 57.345 -0.292 0.000 1.233 151 W CB 1.637 31.068 29.460 -0.048 0.000 1.412 151 W HN 0.314 nan 8.180 nan 0.000 0.490 152 Y N 2.753 122.600 120.300 -0.756 0.000 2.429 152 Y HA 0.229 4.781 4.550 0.002 0.000 0.342 152 Y C 1.146 176.640 175.900 -0.677 0.000 1.004 152 Y CA -0.656 57.077 58.100 -0.611 0.000 1.075 152 Y CB 1.601 39.815 38.460 -0.410 0.000 1.214 152 Y HN 0.452 nan 8.280 nan 0.000 0.455 153 H N 2.074 120.902 119.070 -0.405 0.000 2.555 153 H HA 0.077 4.633 4.556 0.000 0.000 0.269 153 H C 0.020 175.198 175.328 -0.249 0.000 0.988 153 H CA 0.166 55.916 56.048 -0.497 0.000 1.178 153 H CB 0.441 29.570 29.762 -1.054 0.000 1.373 153 H HN 0.340 nan 8.280 nan 0.000 0.588 154 I N -1.952 118.572 120.570 -0.078 0.000 2.689 154 I HA 0.440 4.611 4.170 0.001 0.000 0.299 154 I C -3.038 173.028 176.117 -0.085 0.000 1.059 154 I CA -3.497 57.780 61.300 -0.039 0.000 1.055 154 I CB 1.695 39.680 38.000 -0.024 0.000 1.243 154 I HN -0.287 nan 8.210 nan 0.000 0.425 155 P HA 0.033 nan 4.420 nan 0.000 0.264 155 P C 0.722 177.964 177.300 -0.096 0.000 1.173 155 P CA 0.473 63.535 63.100 -0.065 0.000 0.761 155 P CB 0.404 32.096 31.700 -0.014 0.000 0.794 156 A N 6.065 128.818 122.820 -0.112 0.000 1.883 156 A HA -0.149 4.172 4.320 0.001 0.000 0.217 156 A C -0.397 177.141 177.584 -0.077 0.000 1.186 156 A CA 1.849 53.807 52.037 -0.132 0.000 0.624 156 A CB -2.422 16.505 19.000 -0.122 0.000 0.822 156 A HN 0.480 nan 8.150 nan 0.000 0.444 157 P HA -0.063 nan 4.420 nan 0.000 0.219 157 P C 1.204 178.482 177.300 -0.036 0.000 1.146 157 P CA 1.577 64.662 63.100 -0.025 0.000 0.808 157 P CB -0.086 31.612 31.700 -0.002 0.000 0.779 158 S N -1.112 114.560 115.700 -0.047 0.000 2.593 158 S HA 0.115 4.585 4.470 0.001 0.000 0.217 158 S C 0.898 175.450 174.600 -0.080 0.000 0.966 158 S CA -0.114 58.057 58.200 -0.049 0.000 0.914 158 S CB -0.689 62.491 63.200 -0.034 0.000 0.776 158 S HN 0.119 nan 8.310 nan 0.000 0.523 159 I N 2.787 123.284 120.570 -0.122 0.000 2.683 159 I HA -0.002 4.168 4.170 0.001 0.000 0.286 159 I C 0.542 176.573 176.117 -0.145 0.000 1.175 159 I CA 0.251 61.446 61.300 -0.174 0.000 1.429 159 I CB 0.438 38.255 38.000 -0.305 0.000 1.371 159 I HN 0.221 nan 8.210 nan 0.000 0.569 160 Q N 6.892 126.616 119.800 -0.127 0.000 2.322 160 Q HA 0.566 4.907 4.340 0.001 0.000 0.265 160 Q C -0.132 175.800 176.000 -0.114 0.000 0.985 160 Q CA -0.104 55.640 55.803 -0.100 0.000 0.849 160 Q CB 1.811 30.509 28.738 -0.068 0.000 1.274 160 Q HN 0.908 nan 8.270 nan 0.000 0.449 161 G N 2.148 110.882 108.800 -0.110 0.000 2.660 161 G HA2 -0.092 3.869 3.960 0.001 0.000 0.215 161 G HA3 -0.092 3.869 3.960 0.001 0.000 0.215 161 G C -0.655 174.147 174.900 -0.164 0.000 1.345 161 G CA -0.486 44.549 45.100 -0.108 0.000 0.877 161 G HN 1.133 nan 8.290 nan 0.000 0.549 162 A N -0.085 122.648 122.820 -0.146 0.000 2.492 162 A HA 0.767 5.088 4.320 0.001 0.000 0.254 162 A C 1.087 178.523 177.584 -0.248 0.000 1.091 162 A CA 1.329 53.255 52.037 -0.185 0.000 0.768 162 A CB 0.036 18.968 19.000 -0.113 0.000 1.028 162 A HN 2.523 nan 8.150 nan 0.000 0.498 163 A N 3.413 125.978 122.820 -0.424 0.000 2.477 163 A HA 0.508 4.829 4.320 0.001 0.000 0.246 163 A C 0.151 177.649 177.584 -0.144 0.000 1.078 163 A CA 0.058 51.830 52.037 -0.441 0.000 0.770 163 A CB 0.137 18.536 19.000 -1.003 0.000 1.011 163 A HN 0.792 nan 8.150 nan 0.000 0.494 164 Q N 2.411 122.212 119.800 0.002 0.000 2.275 164 Q HA 0.348 4.689 4.340 0.001 0.000 0.266 164 Q C -2.827 173.205 176.000 0.053 0.000 1.002 164 Q CA -1.839 53.974 55.803 0.017 0.000 0.761 164 Q CB 2.305 31.012 28.738 -0.052 0.000 1.255 164 Q HN 0.543 nan 8.270 nan 0.000 0.446 165 P HA 0.044 nan 4.420 nan 0.000 0.268 165 P C 0.004 177.110 177.300 -0.323 0.000 1.205 165 P CA 0.107 62.937 63.100 -0.450 0.000 0.771 165 P CB 1.245 32.717 31.700 -0.381 0.000 0.858 166 D N 0.859 120.986 120.400 -0.455 0.000 2.194 166 D HA 0.083 4.723 4.640 0.001 0.000 0.204 166 D C 0.710 176.895 176.300 -0.192 0.000 0.964 166 D CA 1.142 54.880 54.000 -0.436 0.000 0.846 166 D CB 0.503 40.657 40.800 -1.077 0.000 0.962 166 D HN 0.471 nan 8.370 nan 0.000 0.490 167 A N -0.282 122.464 122.820 -0.124 0.000 2.594 167 A HA 0.539 4.859 4.320 0.001 0.000 0.291 167 A C -0.868 176.780 177.584 0.107 0.000 1.105 167 A CA -0.543 51.531 52.037 0.062 0.000 0.694 167 A CB 1.694 20.807 19.000 0.189 0.000 1.291 167 A HN -0.115 nan 8.150 nan 0.000 0.410 168 T N 1.714 116.350 114.554 0.138 0.000 2.749 168 T HA 0.517 4.867 4.350 0.001 0.000 0.287 168 T C -0.786 173.934 174.700 0.032 0.000 0.970 168 T CA -0.121 62.075 62.100 0.160 0.000 0.980 168 T CB 0.299 69.267 68.868 0.166 0.000 0.924 168 T HN 0.327 nan 8.240 nan 0.000 0.456 169 L N 4.495 125.706 121.223 -0.021 0.000 2.275 169 L HA 0.531 4.872 4.340 0.001 0.000 0.288 169 L C -0.086 176.671 176.870 -0.188 0.000 1.046 169 L CA -0.410 54.371 54.840 -0.098 0.000 0.805 169 L CB 0.848 42.834 42.059 -0.122 0.000 1.193 169 L HN 0.626 nan 8.230 nan 0.000 0.426 170 I N 4.581 125.061 120.570 -0.151 0.000 2.355 170 I HA 0.287 4.458 4.170 0.001 0.000 0.288 170 I C 0.023 176.061 176.117 -0.131 0.000 0.999 170 I CA -0.638 60.568 61.300 -0.157 0.000 1.163 170 I CB 0.855 38.804 38.000 -0.086 0.000 1.316 170 I HN 0.566 nan 8.210 nan 0.000 0.454 171 N N 5.267 123.874 118.700 -0.154 0.000 2.727 171 N HA -0.200 4.541 4.740 0.001 0.000 0.249 171 N C 0.915 176.331 175.510 -0.157 0.000 1.048 171 N CA 1.333 54.301 53.050 -0.136 0.000 0.714 171 N CB -0.973 37.458 38.487 -0.093 0.000 0.959 171 N HN 1.147 nan 8.380 nan 0.000 0.544 172 G N -1.674 106.994 108.800 -0.220 0.000 2.184 172 G HA2 -0.354 3.607 3.960 0.001 0.000 0.264 172 G HA3 -0.354 3.607 3.960 0.001 0.000 0.264 172 G C -0.039 174.730 174.900 -0.217 0.000 0.975 172 G CA 1.028 45.951 45.100 -0.296 0.000 0.642 172 G HN 0.582 nan 8.290 nan 0.000 0.536 173 K N -0.573 119.744 120.400 -0.138 0.000 2.469 173 K HA 0.721 5.042 4.320 0.001 0.000 0.254 173 K C 0.160 176.737 176.600 -0.040 0.000 0.939 173 K CA -0.368 55.872 56.287 -0.078 0.000 0.812 173 K CB 2.430 34.906 32.500 -0.040 0.000 1.301 173 K HN 0.836 nan 8.250 nan 0.000 0.433 174 G N 1.088 109.892 108.800 0.007 0.000 2.340 174 G HA2 0.423 4.384 3.960 0.001 0.000 0.299 174 G HA3 0.423 4.384 3.960 0.001 0.000 0.299 174 G C -1.728 173.229 174.900 0.096 0.000 1.291 174 G CA -0.836 44.291 45.100 0.044 0.000 0.841 174 G HN 0.418 nan 8.290 nan 0.000 0.500 175 R N -1.127 119.439 120.500 0.109 0.000 2.837 175 R HA 0.631 4.971 4.340 0.001 0.000 0.271 175 R C -1.289 175.126 176.300 0.191 0.000 0.993 175 R CA -0.861 55.315 56.100 0.127 0.000 0.931 175 R CB 2.126 32.443 30.300 0.029 0.000 1.206 175 R HN 0.724 nan 8.270 nan 0.000 0.474 176 Y N -1.749 118.615 120.300 0.106 0.000 2.528 176 Y HA 0.586 5.139 4.550 0.006 0.000 0.335 176 Y C -0.190 175.741 175.900 0.051 0.000 1.093 176 Y CA -1.564 56.582 58.100 0.077 0.000 1.134 176 Y CB 0.516 39.060 38.460 0.139 0.000 1.253 176 Y HN 0.134 nan 8.280 nan 0.000 0.478 177 V N 3.007 122.984 119.914 0.105 0.000 2.509 177 V HA 0.282 4.403 4.120 0.001 0.000 0.297 177 V C 1.194 177.277 176.094 -0.017 0.000 1.014 177 V CA 1.463 63.766 62.300 0.005 0.000 1.127 177 V CB -0.062 31.771 31.823 0.018 0.000 0.925 177 V HN 1.356 nan 8.190 nan 0.000 0.480 178 G N 3.541 112.282 108.800 -0.098 0.000 2.176 178 G HA2 -0.159 3.801 3.960 0.001 0.000 0.253 178 G HA3 -0.159 3.801 3.960 0.001 0.000 0.253 178 G C 0.539 175.282 174.900 -0.261 0.000 0.979 178 G CA 0.053 45.100 45.100 -0.089 0.000 0.641 178 G HN 1.320 nan 8.290 nan 0.000 0.530 179 G N 0.159 108.543 108.800 -0.692 0.000 2.543 179 G HA2 0.696 4.657 3.960 0.001 0.000 0.290 179 G HA3 0.696 4.657 3.960 0.001 0.000 0.290 179 G C -1.461 173.190 174.900 -0.414 0.000 1.310 179 G CA -0.365 44.087 45.100 -1.080 0.000 1.025 179 G HN 0.294 nan 8.290 nan 0.000 0.502 180 P HA 0.303 nan 4.420 nan 0.000 0.272 180 P C -0.234 177.029 177.300 -0.063 0.000 1.240 180 P CA -0.240 62.813 63.100 -0.079 0.000 0.791 180 P CB 0.764 32.467 31.700 0.004 0.000 0.978 181 A N 1.080 123.887 122.820 -0.022 0.000 3.051 181 A HA 0.457 4.777 4.320 0.001 0.000 0.257 181 A C 0.857 178.455 177.584 0.024 0.000 1.785 181 A CA -0.229 51.809 52.037 0.002 0.000 1.420 181 A CB -1.576 17.432 19.000 0.013 0.000 1.063 181 A HN 0.647 nan 8.150 nan 0.000 0.630 182 A N 0.717 123.558 122.820 0.034 0.000 2.483 182 A HA 0.294 4.615 4.320 0.001 0.000 0.238 182 A C 0.606 178.219 177.584 0.048 0.000 1.070 182 A CA -0.175 51.893 52.037 0.052 0.000 0.770 182 A CB 0.001 19.052 19.000 0.084 0.000 1.008 182 A HN 0.779 nan 8.150 nan 0.000 0.497 183 E N 1.061 121.285 120.200 0.040 0.000 2.558 183 E HA 0.128 4.479 4.350 0.001 0.000 0.255 183 E C -0.701 175.921 176.600 0.037 0.000 0.968 183 E CA 0.145 56.565 56.400 0.034 0.000 0.939 183 E CB 0.085 29.798 29.700 0.022 0.000 0.921 183 E HN 0.499 nan 8.360 nan 0.000 0.477 184 L N 3.074 124.325 121.223 0.047 0.000 2.379 184 L HA 0.232 4.572 4.340 0.001 0.000 0.269 184 L C 0.553 177.440 176.870 0.028 0.000 1.084 184 L CA -0.761 54.113 54.840 0.057 0.000 0.802 184 L CB 1.592 43.718 42.059 0.111 0.000 1.175 184 L HN 0.474 nan 8.230 nan 0.000 0.448 185 S N 1.761 117.472 115.700 0.019 0.000 2.565 185 S HA 0.473 4.943 4.470 0.001 0.000 0.276 185 S C -0.198 174.401 174.600 -0.001 0.000 1.326 185 S CA -0.305 57.892 58.200 -0.005 0.000 1.045 185 S CB 0.411 63.597 63.200 -0.022 0.000 0.918 185 S HN 0.272 nan 8.310 nan 0.000 0.505 186 I N 2.680 123.238 120.570 -0.020 0.000 2.406 186 I HA 0.371 4.541 4.170 0.001 0.000 0.290 186 I C -0.843 175.242 176.117 -0.053 0.000 0.999 186 I CA -0.764 60.516 61.300 -0.034 0.000 1.124 186 I CB 1.831 39.809 38.000 -0.037 0.000 1.289 186 I HN 0.208 nan 8.210 nan 0.000 0.441 187 V N 5.667 125.539 119.914 -0.070 0.000 2.347 187 V HA 0.280 4.401 4.120 0.001 0.000 0.280 187 V C -0.180 175.817 176.094 -0.161 0.000 1.021 187 V CA -0.651 61.580 62.300 -0.114 0.000 0.847 187 V CB 1.220 32.971 31.823 -0.119 0.000 0.990 187 V HN 0.689 nan 8.190 nan 0.000 0.444 188 N N 3.142 121.739 118.700 -0.170 0.000 2.455 188 N HA 0.643 5.383 4.740 0.001 0.000 0.280 188 N C -0.469 174.843 175.510 -0.330 0.000 1.055 188 N CA -0.392 52.547 53.050 -0.185 0.000 0.961 188 N CB 1.965 40.389 38.487 -0.106 0.000 1.121 188 N HN 0.618 nan 8.380 nan 0.000 0.476 189 V N -1.292 118.386 119.914 -0.394 0.000 3.141 189 V HA 0.627 4.748 4.120 0.001 0.000 0.312 189 V C -0.698 175.241 176.094 -0.258 0.000 1.157 189 V CA -0.952 61.022 62.300 -0.543 0.000 1.041 189 V CB 2.178 33.482 31.823 -0.864 0.000 1.071 189 V HN 0.543 nan 8.190 nan 0.000 0.441 190 E N 0.617 120.803 120.200 -0.024 0.000 2.210 190 E HA 0.358 4.708 4.350 0.001 0.000 0.266 190 E C -1.067 175.575 176.600 0.070 0.000 0.883 190 E CA -0.661 55.762 56.400 0.039 0.000 0.761 190 E CB 2.346 32.107 29.700 0.102 0.000 1.156 190 E HN 0.787 nan 8.360 nan 0.000 0.412 191 Q N 0.880 120.781 119.800 0.167 0.000 2.315 191 Q HA 0.071 4.412 4.340 0.001 0.000 0.289 191 Q C 0.811 176.908 176.000 0.160 0.000 1.044 191 Q CA 1.557 57.526 55.803 0.278 0.000 0.920 191 Q CB 0.272 29.206 28.738 0.326 0.000 1.214 191 Q HN 0.877 nan 8.270 nan 0.000 0.392 192 G N 3.084 111.972 108.800 0.147 0.000 2.241 192 G HA2 -0.257 3.703 3.960 0.001 0.000 0.244 192 G HA3 -0.257 3.703 3.960 0.001 0.000 0.244 192 G C -0.112 174.818 174.900 0.049 0.000 0.998 192 G CA 0.257 45.408 45.100 0.085 0.000 0.621 192 G HN 0.550 nan 8.290 nan 0.000 0.519 193 K N 0.541 120.969 120.400 0.047 0.000 2.087 193 K HA 0.598 4.919 4.320 0.001 0.000 0.255 193 K C -0.080 176.474 176.600 -0.077 0.000 0.988 193 K CA -0.445 55.792 56.287 -0.084 0.000 0.915 193 K CB 1.015 33.383 32.500 -0.220 0.000 1.043 193 K HN 0.158 nan 8.250 nan 0.000 0.457 194 K N 1.871 122.146 120.400 -0.207 0.000 2.270 194 K HA 0.350 4.670 4.320 0.001 0.000 0.255 194 K C -1.332 175.119 176.600 -0.249 0.000 0.936 194 K CA -0.685 55.562 56.287 -0.067 0.000 0.809 194 K CB 1.208 33.725 32.500 0.029 0.000 1.131 194 K HN 0.359 nan 8.250 nan 0.000 0.427 195 Y N 0.551 120.854 120.300 0.007 0.000 2.409 195 Y HA 0.314 4.865 4.550 0.002 0.000 0.343 195 Y C 0.048 175.814 175.900 -0.223 0.000 0.973 195 Y CA -1.024 57.027 58.100 -0.082 0.000 1.064 195 Y CB 1.791 40.173 38.460 -0.129 0.000 1.207 195 Y HN 0.417 nan 8.280 nan 0.000 0.452 196 R N 4.248 124.566 120.500 -0.302 0.000 2.308 196 R HA 0.323 4.664 4.340 0.001 0.000 0.325 196 R C -0.982 175.058 176.300 -0.433 0.000 1.161 196 R CA -0.372 55.375 56.100 -0.589 0.000 1.022 196 R CB 0.075 29.653 30.300 -1.203 0.000 1.091 196 R HN 0.585 nan 8.270 nan 0.000 0.497 197 M N 3.935 123.178 119.600 -0.594 0.000 2.185 197 M HA 0.247 4.727 4.480 0.001 0.000 0.357 197 M C 0.013 175.911 176.300 -0.670 0.000 1.260 197 M CA 0.065 54.935 55.300 -0.716 0.000 1.124 197 M CB 1.247 33.138 32.600 -1.183 0.000 1.600 197 M HN 0.413 nan 8.290 nan 0.000 0.467 198 R N 2.692 122.945 120.500 -0.412 0.000 2.275 198 R HA 0.508 4.849 4.340 0.001 0.000 0.326 198 R C -1.030 175.112 176.300 -0.263 0.000 0.973 198 R CA -0.786 55.130 56.100 -0.306 0.000 0.854 198 R CB 1.220 31.373 30.300 -0.245 0.000 1.156 198 R HN 0.451 nan 8.270 nan 0.000 0.487 199 L N 5.515 126.608 121.223 -0.217 0.000 2.265 199 L HA 0.507 4.848 4.340 0.001 0.000 0.289 199 L C -1.037 175.688 176.870 -0.243 0.000 1.033 199 L CA -0.165 54.535 54.840 -0.233 0.000 0.814 199 L CB 0.895 42.830 42.059 -0.207 0.000 1.203 199 L HN 0.524 nan 8.230 nan 0.000 0.423 200 I N 3.730 124.117 120.570 -0.305 0.000 2.465 200 I HA 0.376 4.546 4.170 0.001 0.000 0.291 200 I C -0.180 175.668 176.117 -0.448 0.000 1.014 200 I CA -0.570 60.501 61.300 -0.380 0.000 1.093 200 I CB 2.091 39.869 38.000 -0.370 0.000 1.267 200 I HN 0.604 nan 8.210 nan 0.000 0.431 201 S N 6.487 121.885 115.700 -0.504 0.000 2.438 201 S HA 0.487 4.957 4.470 0.001 0.000 0.293 201 S C 0.289 174.373 174.600 -0.860 0.000 1.141 201 S CA -0.570 57.379 58.200 -0.419 0.000 1.080 201 S CB 0.570 63.694 63.200 -0.126 0.000 0.978 201 S HN 0.635 nan 8.310 nan 0.000 0.479 202 L N 3.876 124.732 121.223 -0.612 0.000 2.741 202 L HA 0.276 4.617 4.340 0.001 0.000 0.237 202 L C 1.177 178.004 176.870 -0.072 0.000 1.178 202 L CA -0.284 54.131 54.840 -0.708 0.000 0.973 202 L CB 0.026 41.945 42.059 -0.233 0.000 1.255 202 L HN 0.635 nan 8.230 nan 0.000 0.498 203 S N -1.069 114.657 115.700 0.044 0.000 2.562 203 S HA 0.005 4.476 4.470 0.001 0.000 0.281 203 S C 1.121 175.885 174.600 0.272 0.000 1.333 203 S CA -0.519 57.812 58.200 0.218 0.000 1.052 203 S CB 1.099 64.350 63.200 0.085 0.000 0.884 203 S HN 0.346 nan 8.310 nan 0.000 0.506 204 c N 3.066 121.741 118.600 0.124 0.000 2.673 204 c HA 0.261 4.832 4.570 0.001 0.000 0.264 204 c C 1.493 175.532 174.090 -0.086 0.000 1.304 204 c CA 0.354 56.596 56.329 -0.146 0.000 1.727 204 c CB -0.954 41.312 42.510 -0.408 0.000 1.932 204 c HN 1.021 nan 8.230 nan 0.000 0.563 205 D N -1.286 119.105 120.400 -0.015 0.000 2.348 205 D HA 0.056 4.697 4.640 0.001 0.000 0.115 205 D C -2.434 173.778 176.300 -0.147 0.000 1.491 205 D CA 0.356 54.330 54.000 -0.042 0.000 1.321 205 D CB -0.833 40.047 40.800 0.134 0.000 2.433 205 D HN 0.044 nan 8.370 nan 0.000 0.244 206 P HA 0.175 nan 4.420 nan 0.000 0.269 206 P C -0.404 176.457 177.300 -0.731 0.000 1.209 206 P CA 0.080 62.879 63.100 -0.501 0.000 0.776 206 P CB 0.264 31.553 31.700 -0.685 0.000 0.876 207 N N 1.383 119.718 118.700 -0.609 0.000 2.477 207 N HA 0.318 5.059 4.740 0.001 0.000 0.284 207 N C -0.926 174.222 175.510 -0.603 0.000 1.182 207 N CA -0.617 52.096 53.050 -0.561 0.000 0.949 207 N CB 1.579 39.704 38.487 -0.603 0.000 1.204 207 N HN 0.423 nan 8.380 nan 0.000 0.526 208 W N -0.279 120.894 121.300 -0.212 0.000 2.936 208 W HA 0.261 4.921 4.660 -0.000 0.000 0.338 208 W C -0.440 176.017 176.519 -0.104 0.000 1.121 208 W CA -0.453 56.826 57.345 -0.111 0.000 1.209 208 W CB 2.041 31.479 29.460 -0.036 0.000 1.420 208 W HN 0.328 nan 8.180 nan 0.000 0.516 209 Q N 2.437 122.349 119.800 0.188 0.000 2.303 209 Q HA 0.284 4.625 4.340 0.001 0.000 0.257 209 Q C -1.114 174.998 176.000 0.188 0.000 0.941 209 Q CA -0.463 55.410 55.803 0.116 0.000 0.931 209 Q CB 1.904 30.684 28.738 0.070 0.000 1.215 209 Q HN 0.353 nan 8.270 nan 0.000 0.437 210 F N 1.984 121.922 119.950 -0.019 0.000 2.495 210 F HA 0.544 5.072 4.527 0.002 0.000 0.327 210 F C -0.524 175.208 175.800 -0.114 0.000 1.103 210 F CA -0.340 57.627 58.000 -0.055 0.000 0.949 210 F CB 1.419 40.365 39.000 -0.089 0.000 1.142 210 F HN 0.524 nan 8.300 nan 0.000 0.457 211 S N 5.403 120.564 115.700 -0.899 0.000 2.587 211 S HA 0.704 5.174 4.470 0.001 0.000 0.269 211 S C -1.525 172.640 174.600 -0.725 0.000 1.154 211 S CA -0.956 56.850 58.200 -0.657 0.000 0.824 211 S CB 1.362 64.375 63.200 -0.311 0.000 1.118 211 S HN 0.612 nan 8.310 nan 0.000 0.462 212 I N 1.669 121.975 120.570 -0.440 0.000 2.418 212 I HA 0.336 4.506 4.170 0.001 0.000 0.287 212 I C -1.011 175.062 176.117 -0.073 0.000 1.008 212 I CA -0.689 60.450 61.300 -0.267 0.000 1.104 212 I CB 1.726 39.588 38.000 -0.231 0.000 1.264 212 I HN 0.612 nan 8.210 nan 0.000 0.438 213 D N 4.898 125.315 120.400 0.028 0.000 2.533 213 D HA 0.159 4.800 4.640 0.001 0.000 0.236 213 D C 1.242 177.677 176.300 0.226 0.000 1.137 213 D CA 1.386 55.463 54.000 0.129 0.000 0.867 213 D CB 0.838 41.768 40.800 0.217 0.000 1.170 213 D HN 0.914 nan 8.370 nan 0.000 0.474 214 G N 1.588 110.444 108.800 0.094 0.000 2.189 214 G HA2 -0.278 3.682 3.960 0.001 0.000 0.267 214 G HA3 -0.278 3.682 3.960 0.001 0.000 0.267 214 G C 0.092 174.827 174.900 -0.275 0.000 0.975 214 G CA 0.634 45.699 45.100 -0.059 0.000 0.644 214 G HN 0.673 nan 8.290 nan 0.000 0.537 215 H N -0.230 118.752 119.070 -0.146 0.000 2.747 215 H HA 0.666 5.222 4.556 0.000 0.000 0.371 215 H C 0.014 175.274 175.328 -0.115 0.000 1.161 215 H CA -0.693 55.278 56.048 -0.129 0.000 1.167 215 H CB 1.280 30.965 29.762 -0.127 0.000 1.732 215 H HN 0.333 nan 8.280 nan 0.000 0.544 216 E N 1.245 121.457 120.200 0.021 0.000 2.250 216 E HA 0.436 4.786 4.350 0.001 0.000 0.265 216 E C -0.687 175.886 176.600 -0.045 0.000 1.033 216 E CA -0.792 55.585 56.400 -0.039 0.000 0.888 216 E CB 1.576 31.251 29.700 -0.042 0.000 1.151 216 E HN 0.310 nan 8.360 nan 0.000 0.412 217 L N 1.465 122.613 121.223 -0.125 0.000 2.342 217 L HA 0.318 4.659 4.340 0.001 0.000 0.276 217 L C -0.549 176.293 176.870 -0.048 0.000 0.997 217 L CA -0.562 54.161 54.840 -0.194 0.000 0.838 217 L CB 1.645 43.402 42.059 -0.503 0.000 1.224 217 L HN 0.379 nan 8.230 nan 0.000 0.416 218 T N 4.367 118.987 114.554 0.109 0.000 2.910 218 T HA 0.449 4.800 4.350 0.001 0.000 0.323 218 T C 0.383 175.167 174.700 0.140 0.000 1.091 218 T CA -0.252 61.895 62.100 0.078 0.000 0.960 218 T CB 0.075 68.984 68.868 0.070 0.000 1.024 218 T HN 0.275 nan 8.240 nan 0.000 0.509 219 I N 4.624 125.266 120.570 0.120 0.000 2.598 219 I HA 0.122 4.292 4.170 0.001 0.000 0.284 219 I C 1.345 177.552 176.117 0.151 0.000 1.140 219 I CA 0.311 61.719 61.300 0.181 0.000 1.420 219 I CB 0.539 38.651 38.000 0.186 0.000 1.387 219 I HN 0.689 nan 8.210 nan 0.000 0.553 220 I N 1.819 122.465 120.570 0.126 0.000 4.338 220 I HA 0.456 4.627 4.170 0.001 0.000 0.329 220 I C 0.304 176.545 176.117 0.206 0.000 1.378 220 I CA -0.055 61.290 61.300 0.074 0.000 1.170 220 I CB 0.454 38.347 38.000 -0.178 0.000 1.206 220 I HN 0.518 nan 8.210 nan 0.000 0.432 221 E N 1.263 121.563 120.200 0.167 0.000 2.372 221 E HA 0.556 4.907 4.350 0.001 0.000 0.279 221 E C -1.837 174.805 176.600 0.070 0.000 0.946 221 E CA -0.733 55.734 56.400 0.112 0.000 0.769 221 E CB 3.799 33.518 29.700 0.032 0.000 1.230 221 E HN -0.019 nan 8.360 nan 0.000 0.442 222 V N 3.451 123.357 119.914 -0.014 0.000 2.612 222 V HA 0.300 4.421 4.120 0.001 0.000 0.301 222 V C -1.477 174.517 176.094 -0.166 0.000 1.059 222 V CA -0.321 61.875 62.300 -0.174 0.000 0.886 222 V CB 1.512 33.269 31.823 -0.110 0.000 1.007 222 V HN 0.893 nan 8.190 nan 0.000 0.426 223 D N 4.991 125.243 120.400 -0.247 0.000 2.697 223 D HA -0.147 4.493 4.640 0.001 0.000 0.235 223 D C 1.181 177.463 176.300 -0.030 0.000 1.167 223 D CA 2.049 55.977 54.000 -0.120 0.000 0.656 223 D CB -1.248 39.519 40.800 -0.055 0.000 1.025 223 D HN 1.847 nan 8.370 nan 0.000 0.419 224 G N -0.705 107.983 108.800 -0.187 0.000 2.168 224 G HA2 -0.324 3.636 3.960 0.001 0.000 0.257 224 G HA3 -0.324 3.636 3.960 0.001 0.000 0.257 224 G C -0.133 174.851 174.900 0.139 0.000 0.997 224 G CA 0.493 45.483 45.100 -0.184 0.000 0.708 224 G HN 0.433 nan 8.290 nan 0.000 0.520 225 E N -0.146 120.099 120.200 0.076 0.000 2.224 225 E HA 0.496 4.847 4.350 0.001 0.000 0.265 225 E C 0.566 177.213 176.600 0.078 0.000 0.878 225 E CA -0.726 55.735 56.400 0.101 0.000 0.759 225 E CB 1.585 31.334 29.700 0.081 0.000 1.164 225 E HN 0.312 nan 8.360 nan 0.000 0.414 226 L N 1.974 123.251 121.223 0.091 0.000 2.439 226 L HA 0.296 4.637 4.340 0.001 0.000 0.269 226 L C 1.032 177.995 176.870 0.156 0.000 1.179 226 L CA 0.065 54.981 54.840 0.127 0.000 0.828 226 L CB 0.353 42.439 42.059 0.044 0.000 1.106 226 L HN 0.585 nan 8.230 nan 0.000 0.467 227 T N -1.737 112.966 114.554 0.249 0.000 2.907 227 T HA 0.393 4.744 4.350 0.001 0.000 0.290 227 T C -0.365 174.517 174.700 0.303 0.000 1.066 227 T CA -1.077 61.158 62.100 0.225 0.000 1.012 227 T CB 1.466 70.445 68.868 0.186 0.000 1.184 227 T HN 0.495 nan 8.240 nan 0.000 0.522 228 E N 1.909 122.255 120.200 0.244 0.000 2.413 228 E HA 0.219 4.569 4.350 0.001 0.000 0.263 228 E C -2.349 174.378 176.600 0.213 0.000 1.015 228 E CA -1.566 54.977 56.400 0.239 0.000 0.916 228 E CB 0.151 29.978 29.700 0.212 0.000 0.947 228 E HN 0.402 nan 8.360 nan 0.000 0.440 229 P HA -0.047 nan 4.420 nan 0.000 0.263 229 P C -1.087 176.321 177.300 0.180 0.000 1.195 229 P CA 0.717 63.876 63.100 0.099 0.000 0.762 229 P CB 0.274 31.992 31.700 0.031 0.000 0.799 230 H N 1.308 120.413 119.070 0.058 0.000 3.013 230 H HA 0.387 4.944 4.556 0.001 0.000 0.326 230 H C -0.933 174.413 175.328 0.029 0.000 0.973 230 H CA -0.321 55.757 56.048 0.051 0.000 1.369 230 H CB 0.785 30.579 29.762 0.053 0.000 1.598 230 H HN 0.126 nan 8.280 nan 0.000 0.518 231 T N 4.911 119.224 114.554 -0.401 0.000 2.845 231 T HA 0.546 4.897 4.350 0.001 0.000 0.288 231 T C -0.556 173.918 174.700 -0.377 0.000 0.980 231 T CA -0.467 61.462 62.100 -0.286 0.000 1.071 231 T CB 1.093 69.876 68.868 -0.143 0.000 0.941 231 T HN 0.357 nan 8.240 nan 0.000 0.487 232 V N 1.582 121.346 119.914 -0.249 0.000 3.206 232 V HA 0.325 4.445 4.120 0.001 0.000 0.305 232 V C -0.385 175.615 176.094 -0.156 0.000 1.257 232 V CA -0.659 61.522 62.300 -0.199 0.000 1.057 232 V CB 2.741 34.450 31.823 -0.190 0.000 1.075 232 V HN 0.893 nan 8.190 nan 0.000 0.443 233 D N 0.887 121.211 120.400 -0.126 0.000 2.338 233 D HA 0.164 4.805 4.640 0.001 0.000 0.208 233 D C 0.597 176.813 176.300 -0.140 0.000 0.997 233 D CA 0.471 54.396 54.000 -0.124 0.000 0.880 233 D CB 0.909 41.653 40.800 -0.093 0.000 0.980 233 D HN 0.320 nan 8.370 nan 0.000 0.509 234 R N 0.719 121.148 120.500 -0.118 0.000 2.668 234 R HA 0.403 4.744 4.340 0.001 0.000 0.272 234 R C -1.746 174.502 176.300 -0.086 0.000 1.019 234 R CA -0.619 55.420 56.100 -0.102 0.000 0.894 234 R CB 1.793 32.047 30.300 -0.077 0.000 1.228 234 R HN -0.048 nan 8.270 nan 0.000 0.460 235 L N 0.434 121.617 121.223 -0.066 0.000 2.393 235 L HA 0.573 4.914 4.340 0.001 0.000 0.260 235 L C -1.595 175.248 176.870 -0.045 0.000 1.002 235 L CA -0.893 53.887 54.840 -0.099 0.000 0.818 235 L CB 2.189 44.090 42.059 -0.265 0.000 1.369 235 L HN 0.789 nan 8.230 nan 0.000 0.412 236 Q N 2.272 122.035 119.800 -0.062 0.000 2.314 236 Q HA 0.568 4.909 4.340 0.001 0.000 0.259 236 Q C -1.452 174.435 176.000 -0.190 0.000 0.951 236 Q CA -0.453 55.266 55.803 -0.139 0.000 0.909 236 Q CB 2.205 30.846 28.738 -0.162 0.000 1.236 236 Q HN 0.763 nan 8.270 nan 0.000 0.444 237 I N 4.348 124.801 120.570 -0.195 0.000 2.406 237 I HA 0.411 4.582 4.170 0.001 0.000 0.290 237 I C -1.383 174.593 176.117 -0.235 0.000 0.999 237 I CA -0.775 60.492 61.300 -0.055 0.000 1.124 237 I CB 0.729 38.795 38.000 0.109 0.000 1.289 237 I HN 0.604 nan 8.210 nan 0.000 0.441 238 F N 3.316 123.315 119.950 0.081 0.000 2.408 238 F HA 0.360 4.889 4.527 0.002 0.000 0.325 238 F C 0.950 176.715 175.800 -0.058 0.000 1.082 238 F CA -0.605 57.398 58.000 0.004 0.000 1.032 238 F CB 0.982 39.995 39.000 0.022 0.000 1.259 238 F HN 0.454 nan 8.300 nan 0.000 0.503 239 T N -0.735 113.880 114.554 0.103 0.000 2.656 239 T HA 0.235 4.585 4.350 0.001 0.000 0.258 239 T C 1.103 175.642 174.700 -0.268 0.000 1.020 239 T CA 0.316 62.373 62.100 -0.071 0.000 1.191 239 T CB -0.402 68.460 68.868 -0.010 0.000 1.004 239 T HN 1.408 nan 8.240 nan 0.000 0.498 240 G N 2.540 111.051 108.800 -0.481 0.000 2.175 240 G HA2 -0.278 3.683 3.960 0.001 0.000 0.265 240 G HA3 -0.278 3.683 3.960 0.001 0.000 0.265 240 G C 0.020 174.652 174.900 -0.446 0.000 0.979 240 G CA 0.550 45.269 45.100 -0.634 0.000 0.663 240 G HN 0.988 nan 8.290 nan 0.000 0.533 241 Q N -0.671 118.970 119.800 -0.266 0.000 2.368 241 Q HA 0.671 5.012 4.340 0.001 0.000 0.237 241 Q C 0.364 176.177 176.000 -0.310 0.000 0.987 241 Q CA -0.070 55.614 55.803 -0.198 0.000 0.896 241 Q CB 0.583 29.286 28.738 -0.058 0.000 1.241 241 Q HN 0.379 nan 8.270 nan 0.000 0.485 242 R N 0.618 120.893 120.500 -0.374 0.000 2.744 242 R HA 0.523 4.864 4.340 0.001 0.000 0.279 242 R C -1.655 174.368 176.300 -0.462 0.000 0.977 242 R CA -0.539 55.356 56.100 -0.342 0.000 0.906 242 R CB 1.300 31.422 30.300 -0.295 0.000 1.197 242 R HN 0.484 nan 8.270 nan 0.000 0.463 243 Y N -0.604 119.624 120.300 -0.119 0.000 2.442 243 Y HA 0.497 5.048 4.550 0.001 0.000 0.344 243 Y C -0.199 175.659 175.900 -0.071 0.000 0.976 243 Y CA -0.620 57.453 58.100 -0.044 0.000 1.040 243 Y CB 2.764 41.242 38.460 0.030 0.000 1.228 243 Y HN 0.452 nan 8.280 nan 0.000 0.451 244 S N 3.913 119.658 115.700 0.076 0.000 2.489 244 S HA 0.713 5.183 4.470 0.001 0.000 0.291 244 S C -1.200 173.434 174.600 0.056 0.000 1.151 244 S CA -0.619 57.540 58.200 -0.068 0.000 1.082 244 S CB 0.189 63.313 63.200 -0.126 0.000 1.019 244 S HN 0.463 nan 8.310 nan 0.000 0.492 245 F N 0.328 120.257 119.950 -0.035 0.000 2.578 245 F HA 0.759 5.286 4.527 0.001 0.000 0.311 245 F C -0.940 174.841 175.800 -0.031 0.000 1.094 245 F CA -1.363 56.627 58.000 -0.018 0.000 0.923 245 F CB 0.426 39.423 39.000 -0.005 0.000 1.230 245 F HN 0.181 nan 8.300 nan 0.000 0.450 246 V N 3.961 123.972 119.914 0.161 0.000 2.488 246 V HA 0.262 4.382 4.120 0.001 0.000 0.277 246 V C -0.317 175.937 176.094 0.267 0.000 1.046 246 V CA -0.373 61.992 62.300 0.109 0.000 0.986 246 V CB 1.135 33.033 31.823 0.126 0.000 0.989 246 V HN 0.762 nan 8.190 nan 0.000 0.475 247 L N 4.854 126.214 121.223 0.228 0.000 2.265 247 L HA 0.520 4.861 4.340 0.001 0.000 0.289 247 L C -0.179 176.838 176.870 0.245 0.000 1.033 247 L CA 0.048 55.057 54.840 0.282 0.000 0.814 247 L CB 1.295 43.492 42.059 0.230 0.000 1.203 247 L HN 0.626 nan 8.230 nan 0.000 0.423 248 D N 4.886 125.420 120.400 0.223 0.000 2.411 248 D HA 0.278 4.918 4.640 0.001 0.000 0.225 248 D C -0.166 176.276 176.300 0.235 0.000 1.156 248 D CA -0.200 53.912 54.000 0.187 0.000 0.874 248 D CB 1.443 42.318 40.800 0.125 0.000 1.034 248 D HN 0.645 nan 8.370 nan 0.000 0.502 249 A N 4.427 127.391 122.820 0.240 0.000 3.026 249 A HA 0.063 4.384 4.320 0.001 0.000 0.272 249 A C 0.804 178.582 177.584 0.323 0.000 1.782 249 A CA -0.532 51.666 52.037 0.268 0.000 1.451 249 A CB -0.664 18.349 19.000 0.021 0.000 1.081 249 A HN 0.554 nan 8.150 nan 0.000 0.611 250 N N 0.174 119.015 118.700 0.235 0.000 2.238 250 N HA 0.050 4.790 4.740 0.001 0.000 0.222 250 N C -0.152 175.369 175.510 0.018 0.000 1.133 250 N CA -0.107 53.011 53.050 0.114 0.000 0.854 250 N CB 0.282 38.796 38.487 0.044 0.000 1.041 250 N HN 0.458 nan 8.380 nan 0.000 0.510 251 Q N 0.365 120.155 119.800 -0.017 0.000 2.333 251 Q HA 0.546 4.886 4.340 0.001 0.000 0.266 251 Q C -2.566 173.285 176.000 -0.249 0.000 1.053 251 Q CA -1.886 53.790 55.803 -0.211 0.000 0.890 251 Q CB 0.464 28.916 28.738 -0.477 0.000 1.337 251 Q HN 0.077 nan 8.270 nan 0.000 0.474 252 P HA -0.066 nan 4.420 nan 0.000 0.265 252 P C -0.304 176.803 177.300 -0.321 0.000 1.187 252 P CA -0.122 62.882 63.100 -0.160 0.000 0.766 252 P CB 0.281 31.929 31.700 -0.087 0.000 0.820 253 V N 1.475 121.260 119.914 -0.215 0.000 2.540 253 V HA 0.307 4.427 4.120 0.001 0.000 0.297 253 V C -0.117 175.878 176.094 -0.165 0.000 1.024 253 V CA 0.833 63.017 62.300 -0.194 0.000 1.105 253 V CB 0.003 31.857 31.823 0.052 0.000 0.938 253 V HN 0.538 nan 8.190 nan 0.000 0.482 254 D N 3.133 123.455 120.400 -0.131 0.000 2.804 254 D HA 0.274 4.914 4.640 0.001 0.000 0.309 254 D C -1.540 174.671 176.300 -0.149 0.000 1.311 254 D CA -0.593 53.283 54.000 -0.207 0.000 0.765 254 D CB 1.393 41.910 40.800 -0.471 0.000 1.293 254 D HN 0.679 nan 8.370 nan 0.000 0.434 255 N N 0.615 119.097 118.700 -0.364 0.000 2.421 255 N HA 0.398 5.139 4.740 0.001 0.000 0.285 255 N C -1.073 174.097 175.510 -0.566 0.000 1.027 255 N CA -0.055 52.811 53.050 -0.308 0.000 0.918 255 N CB 1.115 39.404 38.487 -0.331 0.000 1.152 255 N HN 0.243 nan 8.380 nan 0.000 0.485 256 Y N -0.121 120.079 120.300 -0.166 0.000 2.462 256 Y HA 0.317 4.869 4.550 0.004 0.000 0.346 256 Y C -0.317 175.487 175.900 -0.159 0.000 0.976 256 Y CA -0.917 57.104 58.100 -0.132 0.000 1.044 256 Y CB 1.204 39.689 38.460 0.042 0.000 1.230 256 Y HN 0.426 nan 8.280 nan 0.000 0.455 257 W N 3.903 125.227 121.300 0.040 0.000 2.238 257 W HA 0.522 5.177 4.660 -0.007 0.000 0.321 257 W C -0.533 175.921 176.519 -0.107 0.000 1.293 257 W CA -0.186 57.122 57.345 -0.061 0.000 1.204 257 W CB 0.554 29.928 29.460 -0.143 0.000 1.167 257 W HN 0.249 nan 8.180 nan 0.000 0.553 258 I N 4.135 124.819 120.570 0.190 0.000 2.354 258 I HA 0.355 4.526 4.170 0.001 0.000 0.292 258 I C 0.048 176.117 176.117 -0.081 0.000 0.989 258 I CA -0.891 60.386 61.300 -0.039 0.000 1.188 258 I CB 0.978 38.981 38.000 0.005 0.000 1.342 258 I HN 0.280 nan 8.210 nan 0.000 0.457 259 R N 5.161 125.493 120.500 -0.279 0.000 2.437 259 R HA 0.775 5.116 4.340 0.001 0.000 0.310 259 R C -0.910 175.339 176.300 -0.085 0.000 0.955 259 R CA -0.752 55.237 56.100 -0.184 0.000 0.851 259 R CB 2.074 32.145 30.300 -0.381 0.000 1.161 259 R HN 0.684 nan 8.270 nan 0.000 0.446 260 A N 3.291 126.193 122.820 0.137 0.000 2.466 260 A HA 0.196 4.517 4.320 0.001 0.000 0.291 260 A C -0.836 176.940 177.584 0.320 0.000 1.234 260 A CA -0.554 51.579 52.037 0.161 0.000 0.752 260 A CB 1.094 20.032 19.000 -0.105 0.000 1.153 260 A HN 0.688 nan 8.150 nan 0.000 0.458 261 Q N 4.008 124.018 119.800 0.350 0.000 2.322 261 Q HA 0.391 4.731 4.340 0.001 0.000 0.256 261 Q C -2.427 173.692 176.000 0.199 0.000 0.960 261 Q CA -2.139 53.774 55.803 0.184 0.000 0.934 261 Q CB 1.633 30.436 28.738 0.110 0.000 1.200 261 Q HN 0.488 nan 8.270 nan 0.000 0.435 262 P HA 0.036 nan 4.420 nan 0.000 0.276 262 P C -0.480 176.697 177.300 -0.206 0.000 1.244 262 P CA -0.195 62.772 63.100 -0.221 0.000 0.801 262 P CB 0.724 32.299 31.700 -0.208 0.000 1.006 263 N N 1.116 119.654 118.700 -0.272 0.000 2.463 263 N HA -0.048 4.692 4.740 0.001 0.000 0.181 263 N C 0.364 175.785 175.510 -0.149 0.000 1.078 263 N CA 0.641 53.585 53.050 -0.177 0.000 0.902 263 N CB -0.044 38.350 38.487 -0.156 0.000 0.970 263 N HN 0.520 nan 8.380 nan 0.000 0.451 264 K N -2.378 117.921 120.400 -0.167 0.000 2.571 264 K HA 0.690 5.010 4.320 0.001 0.000 0.289 264 K C -0.862 175.665 176.600 -0.122 0.000 1.028 264 K CA -0.756 55.457 56.287 -0.124 0.000 0.895 264 K CB 1.689 34.128 32.500 -0.102 0.000 1.534 264 K HN 0.008 nan 8.250 nan 0.000 0.421 265 G N 0.429 109.170 108.800 -0.099 0.000 2.347 265 G HA2 0.171 4.132 3.960 0.001 0.000 0.303 265 G HA3 0.171 4.132 3.960 0.001 0.000 0.303 265 G C -1.639 173.211 174.900 -0.084 0.000 1.481 265 G CA -1.111 43.930 45.100 -0.098 0.000 0.914 265 G HN 0.443 nan 8.290 nan 0.000 0.638 266 R N 0.187 120.635 120.500 -0.087 0.000 2.594 266 R HA 0.242 4.582 4.340 0.001 0.000 0.272 266 R C 0.666 176.939 176.300 -0.046 0.000 1.074 266 R CA 0.292 56.351 56.100 -0.069 0.000 1.105 266 R CB 0.030 30.278 30.300 -0.086 0.000 1.008 266 R HN 0.790 nan 8.270 nan 0.000 0.472 267 N N 0.503 119.183 118.700 -0.033 0.000 2.727 267 N HA -0.249 4.492 4.740 0.001 0.000 0.249 267 N C 0.532 176.022 175.510 -0.034 0.000 1.048 267 N CA 0.437 53.475 53.050 -0.020 0.000 0.714 267 N CB -0.721 37.772 38.487 0.010 0.000 0.959 267 N HN 1.049 nan 8.380 nan 0.000 0.544 268 G N -1.094 107.676 108.800 -0.050 0.000 2.179 268 G HA2 -0.360 3.600 3.960 0.001 0.000 0.260 268 G HA3 -0.360 3.600 3.960 0.001 0.000 0.260 268 G C 0.783 175.628 174.900 -0.092 0.000 0.977 268 G CA 0.291 45.351 45.100 -0.066 0.000 0.641 268 G HN 0.388 nan 8.290 nan 0.000 0.533 269 L N 0.212 121.383 121.223 -0.087 0.000 2.051 269 L HA -0.159 4.182 4.340 0.001 0.000 0.214 269 L C 3.046 179.823 176.870 -0.155 0.000 1.076 269 L CA 3.069 57.844 54.840 -0.107 0.000 0.758 269 L CB -0.839 41.174 42.059 -0.077 0.000 0.890 269 L HN 0.616 nan 8.230 nan 0.000 0.433 270 A N -0.970 121.767 122.820 -0.137 0.000 2.070 270 A HA -0.075 4.246 4.320 0.001 0.000 0.220 270 A C 1.928 179.401 177.584 -0.185 0.000 1.159 270 A CA 1.472 53.418 52.037 -0.152 0.000 0.656 270 A CB -0.682 18.246 19.000 -0.120 0.000 0.800 270 A HN 0.555 nan 8.150 nan 0.000 0.453 271 G N -2.324 106.368 108.800 -0.179 0.000 3.453 271 G HA2 0.408 4.369 3.960 0.001 0.000 0.263 271 G HA3 0.408 4.369 3.960 0.001 0.000 0.263 271 G C 0.217 174.980 174.900 -0.228 0.000 1.060 271 G CA 0.818 45.814 45.100 -0.172 0.000 0.793 271 G HN 0.430 nan 8.290 nan 0.000 0.532 272 T N -1.440 112.907 114.554 -0.345 0.000 2.864 272 T HA 0.556 4.906 4.350 0.001 0.000 0.299 272 T C -0.971 173.356 174.700 -0.623 0.000 1.166 272 T CA -0.501 61.395 62.100 -0.340 0.000 1.007 272 T CB 1.277 70.039 68.868 -0.176 0.000 1.219 272 T HN -0.083 nan 8.240 nan 0.000 0.506 273 F N 1.222 121.083 119.950 -0.149 0.000 2.729 273 F HA 0.540 5.066 4.527 -0.002 0.000 0.315 273 F C 1.334 176.981 175.800 -0.254 0.000 1.102 273 F CA -0.522 57.337 58.000 -0.235 0.000 1.204 273 F CB 0.198 38.995 39.000 -0.339 0.000 1.052 273 F HN 0.657 nan 8.300 nan 0.000 0.551 274 A N 0.639 123.427 122.820 -0.054 0.000 2.567 274 A HA 0.185 4.505 4.320 0.001 0.000 0.240 274 A C 0.977 178.520 177.584 -0.068 0.000 1.053 274 A CA 0.545 52.548 52.037 -0.057 0.000 0.755 274 A CB -0.433 18.539 19.000 -0.046 0.000 0.978 274 A HN 0.637 nan 8.150 nan 0.000 0.507 275 N N -0.110 118.557 118.700 -0.056 0.000 2.878 275 N HA -0.175 4.565 4.740 0.001 0.000 0.247 275 N C 0.760 176.245 175.510 -0.042 0.000 1.021 275 N CA 2.488 55.519 53.050 -0.032 0.000 0.873 275 N CB -1.346 37.117 38.487 -0.039 0.000 1.128 275 N HN 2.197 nan 8.380 nan 0.000 0.571 276 G N -1.682 107.030 108.800 -0.146 0.000 2.137 276 G HA2 -0.227 3.733 3.960 0.001 0.000 0.237 276 G HA3 -0.227 3.733 3.960 0.001 0.000 0.237 276 G C 0.199 175.051 174.900 -0.080 0.000 1.002 276 G CA 0.544 45.531 45.100 -0.188 0.000 0.702 276 G HN 1.284 nan 8.290 nan 0.000 0.515 277 V N -2.830 117.042 119.914 -0.070 0.000 3.051 277 V HA 0.598 4.719 4.120 0.001 0.000 0.306 277 V C 1.134 177.219 176.094 -0.015 0.000 1.083 277 V CA 0.625 62.906 62.300 -0.032 0.000 1.104 277 V CB 0.626 32.419 31.823 -0.051 0.000 1.027 277 V HN 0.733 nan 8.190 nan 0.000 0.483 278 N N 0.661 119.370 118.700 0.016 0.000 2.714 278 N HA -0.164 4.576 4.740 0.001 0.000 0.250 278 N C -0.163 175.423 175.510 0.126 0.000 1.117 278 N CA 0.909 53.994 53.050 0.058 0.000 0.719 278 N CB -0.869 37.600 38.487 -0.030 0.000 1.081 278 N HN 0.875 nan 8.380 nan 0.000 0.557 279 S N -1.074 114.668 115.700 0.069 0.000 2.595 279 S HA 0.929 5.400 4.470 0.001 0.000 0.281 279 S C -0.519 174.164 174.600 0.139 0.000 1.117 279 S CA -0.162 58.087 58.200 0.082 0.000 0.873 279 S CB 2.498 65.661 63.200 -0.060 0.000 1.108 279 S HN 0.409 nan 8.310 nan 0.000 0.477 280 A N 1.032 123.973 122.820 0.201 0.000 2.552 280 A HA 0.900 5.221 4.320 0.001 0.000 0.288 280 A C -1.756 175.957 177.584 0.214 0.000 1.193 280 A CA -0.676 51.465 52.037 0.173 0.000 0.713 280 A CB 0.836 19.883 19.000 0.078 0.000 1.305 280 A HN 0.692 nan 8.150 nan 0.000 0.424 281 I N 0.608 121.230 120.570 0.087 0.000 2.406 281 I HA 0.359 4.530 4.170 0.001 0.000 0.290 281 I C -1.064 175.039 176.117 -0.023 0.000 0.999 281 I CA -0.586 60.709 61.300 -0.008 0.000 1.124 281 I CB 1.781 39.730 38.000 -0.085 0.000 1.289 281 I HN 0.528 nan 8.210 nan 0.000 0.441 282 L N 7.614 128.831 121.223 -0.009 0.000 2.255 282 L HA 0.454 4.795 4.340 0.001 0.000 0.289 282 L C -0.192 176.717 176.870 0.066 0.000 1.046 282 L CA 0.055 54.887 54.840 -0.013 0.000 0.816 282 L CB 0.420 42.453 42.059 -0.043 0.000 1.197 282 L HN 0.555 nan 8.230 nan 0.000 0.427 283 R N 4.072 124.574 120.500 0.003 0.000 2.360 283 R HA 0.332 4.673 4.340 0.001 0.000 0.318 283 R C -1.397 174.942 176.300 0.064 0.000 0.950 283 R CA -0.644 55.493 56.100 0.062 0.000 0.837 283 R CB 0.713 31.008 30.300 -0.010 0.000 1.165 283 R HN 0.523 nan 8.270 nan 0.000 0.458 284 Y N 2.329 122.648 120.300 0.031 0.000 2.442 284 Y HA 0.151 4.702 4.550 0.001 0.000 0.330 284 Y C 0.828 176.738 175.900 0.017 0.000 1.129 284 Y CA 0.261 58.386 58.100 0.041 0.000 1.365 284 Y CB 1.101 39.623 38.460 0.104 0.000 1.233 284 Y HN 0.674 nan 8.280 nan 0.000 0.529 285 A N 2.907 125.788 122.820 0.101 0.000 2.566 285 A HA 0.384 4.705 4.320 0.001 0.000 0.245 285 A C 1.391 179.033 177.584 0.096 0.000 1.056 285 A CA 0.941 53.019 52.037 0.070 0.000 0.757 285 A CB -0.963 18.066 19.000 0.048 0.000 0.979 285 A HN 1.464 nan 8.150 nan 0.000 0.508 286 G N 0.911 109.748 108.800 0.061 0.000 2.238 286 G HA2 0.200 4.161 3.960 0.001 0.000 0.217 286 G HA3 0.200 4.161 3.960 0.001 0.000 0.217 286 G C 0.551 175.471 174.900 0.034 0.000 0.996 286 G CA 0.255 45.384 45.100 0.048 0.000 0.632 286 G HN 2.141 nan 8.290 nan 0.000 0.503 287 A N 0.609 123.457 122.820 0.046 0.000 2.340 287 A HA 0.901 5.221 4.320 0.001 0.000 0.268 287 A C 0.994 178.567 177.584 -0.018 0.000 1.100 287 A CA 0.997 53.037 52.037 0.005 0.000 0.803 287 A CB 0.581 19.590 19.000 0.014 0.000 1.043 287 A HN 2.081 nan 8.150 nan 0.000 0.488 288 A N 1.643 124.438 122.820 -0.041 0.000 2.448 288 A HA 0.326 4.647 4.320 0.001 0.000 0.239 288 A C 0.281 177.833 177.584 -0.052 0.000 1.080 288 A CA -0.231 51.780 52.037 -0.043 0.000 0.779 288 A CB -0.312 18.657 19.000 -0.052 0.000 1.026 288 A HN 0.820 nan 8.150 nan 0.000 0.499 289 N N 0.498 119.172 118.700 -0.043 0.000 2.549 289 N HA 0.482 5.223 4.740 0.001 0.000 0.267 289 N C -0.315 175.159 175.510 -0.059 0.000 1.182 289 N CA 1.100 54.122 53.050 -0.047 0.000 1.019 289 N CB 0.284 38.752 38.487 -0.032 0.000 1.380 289 N HN 0.871 nan 8.380 nan 0.000 0.505 290 A N 1.228 123.995 122.820 -0.088 0.000 2.599 290 A HA 0.477 4.798 4.320 0.001 0.000 0.290 290 A C -1.353 176.127 177.584 -0.175 0.000 1.101 290 A CA -0.918 51.056 52.037 -0.105 0.000 0.674 290 A CB 1.025 19.964 19.000 -0.100 0.000 1.277 290 A HN 0.291 nan 8.150 nan 0.000 0.419 291 D N 1.586 121.875 120.400 -0.185 0.000 2.341 291 D HA 0.494 5.135 4.640 0.001 0.000 0.245 291 D C -2.240 173.763 176.300 -0.495 0.000 1.106 291 D CA -0.612 53.181 54.000 -0.345 0.000 0.905 291 D CB 0.498 41.202 40.800 -0.160 0.000 1.202 291 D HN 0.209 nan 8.370 nan 0.000 0.426 292 P HA 0.120 nan 4.420 nan 0.000 0.272 292 P C 0.321 177.270 177.300 -0.585 0.000 1.240 292 P CA -0.094 62.474 63.100 -0.887 0.000 0.791 292 P CB 0.434 31.280 31.700 -1.422 0.000 0.978 293 T N -4.564 109.797 114.554 -0.321 0.000 3.393 293 T HA 0.196 4.547 4.350 0.001 0.000 0.298 293 T C 0.421 175.112 174.700 -0.015 0.000 1.004 293 T CA -0.391 61.676 62.100 -0.056 0.000 0.956 293 T CB -1.087 67.739 68.868 -0.070 0.000 1.182 293 T HN 0.447 nan 8.240 nan 0.000 0.497 294 T N 0.592 115.118 114.554 -0.047 0.000 2.770 294 T HA 0.674 5.025 4.350 0.001 0.000 0.281 294 T C 0.200 174.987 174.700 0.145 0.000 0.981 294 T CA -0.346 61.766 62.100 0.019 0.000 0.955 294 T CB 1.284 70.149 68.868 -0.005 0.000 1.060 294 T HN 0.575 nan 8.240 nan 0.000 0.531 295 S N -0.705 115.042 115.700 0.077 0.000 2.548 295 S HA 0.736 5.207 4.470 0.001 0.000 0.286 295 S C -0.115 174.483 174.600 -0.004 0.000 1.098 295 S CA -0.806 57.412 58.200 0.030 0.000 0.930 295 S CB 1.240 64.445 63.200 0.008 0.000 1.070 295 S HN 1.253 nan 8.310 nan 0.000 0.480 296 A N 2.302 125.077 122.820 -0.076 0.000 2.448 296 A HA 0.335 4.655 4.320 0.001 0.000 0.239 296 A C 0.626 178.177 177.584 -0.055 0.000 1.080 296 A CA -0.329 51.651 52.037 -0.095 0.000 0.779 296 A CB -0.304 18.595 19.000 -0.168 0.000 1.026 296 A HN 0.894 nan 8.150 nan 0.000 0.499 297 N N 1.195 119.861 118.700 -0.056 0.000 2.468 297 N HA 0.103 4.844 4.740 0.001 0.000 0.265 297 N C -1.342 174.145 175.510 -0.038 0.000 1.199 297 N CA -1.505 51.519 53.050 -0.043 0.000 0.928 297 N CB 0.931 39.388 38.487 -0.050 0.000 1.059 297 N HN 0.325 nan 8.380 nan 0.000 0.467 298 P HA -0.032 nan 4.420 nan 0.000 0.217 298 P C -0.720 176.569 177.300 -0.018 0.000 1.151 298 P CA 1.147 64.235 63.100 -0.020 0.000 0.828 298 P CB 0.306 31.997 31.700 -0.015 0.000 0.788 299 N N 0.643 119.331 118.700 -0.021 0.000 2.841 299 N HA 0.225 4.966 4.740 0.001 0.000 0.257 299 N C -2.674 172.822 175.510 -0.024 0.000 1.396 299 N CA -1.266 51.773 53.050 -0.018 0.000 0.823 299 N CB 0.745 39.224 38.487 -0.014 0.000 1.162 299 N HN 0.173 nan 8.380 nan 0.000 0.503 300 P HA 0.128 nan 4.420 nan 0.000 0.275 300 P C -0.639 176.641 177.300 -0.034 0.000 1.227 300 P CA -0.344 62.732 63.100 -0.040 0.000 0.781 300 P CB 0.940 32.611 31.700 -0.049 0.000 0.906 301 A N 2.835 125.630 122.820 -0.042 0.000 2.395 301 A HA 0.162 4.483 4.320 0.001 0.000 0.286 301 A C 0.506 178.068 177.584 -0.036 0.000 1.193 301 A CA -0.092 51.925 52.037 -0.033 0.000 0.852 301 A CB -0.471 18.503 19.000 -0.044 0.000 1.118 301 A HN 0.522 nan 8.150 nan 0.000 0.524 302 Q N 1.934 121.725 119.800 -0.015 0.000 2.288 302 Q HA 0.429 4.770 4.340 0.001 0.000 0.254 302 Q C -0.399 175.606 176.000 0.008 0.000 0.932 302 Q CA -0.435 55.362 55.803 -0.011 0.000 0.902 302 Q CB 0.953 29.693 28.738 0.004 0.000 1.203 302 Q HN 0.730 nan 8.270 nan 0.000 0.415 303 L N 4.124 125.343 121.223 -0.007 0.000 2.499 303 L HA 0.230 4.570 4.340 0.001 0.000 0.273 303 L C -0.930 175.974 176.870 0.056 0.000 1.195 303 L CA 0.701 55.558 54.840 0.030 0.000 0.882 303 L CB 0.228 42.262 42.059 -0.042 0.000 1.133 303 L HN 0.743 nan 8.230 nan 0.000 0.483 304 N N 3.312 122.057 118.700 0.075 0.000 2.442 304 N HA 0.132 4.873 4.740 0.001 0.000 0.274 304 N C 0.452 175.978 175.510 0.027 0.000 1.002 304 N CA -0.267 52.814 53.050 0.052 0.000 0.910 304 N CB 1.040 39.550 38.487 0.039 0.000 1.244 304 N HN 0.826 nan 8.380 nan 0.000 0.492 305 E N 3.223 123.455 120.200 0.054 0.000 2.171 305 E HA -0.226 4.125 4.350 0.001 0.000 0.197 305 E C 1.005 177.582 176.600 -0.038 0.000 0.997 305 E CA 1.437 57.866 56.400 0.049 0.000 0.810 305 E CB 0.047 29.810 29.700 0.104 0.000 0.738 305 E HN 0.701 nan 8.360 nan 0.000 0.467 306 A N 0.706 123.494 122.820 -0.054 0.000 2.216 306 A HA -0.129 4.191 4.320 0.001 0.000 0.214 306 A C 1.336 178.800 177.584 -0.200 0.000 1.160 306 A CA 1.248 53.228 52.037 -0.096 0.000 0.725 306 A CB -0.077 18.888 19.000 -0.059 0.000 0.784 306 A HN 0.246 nan 8.150 nan 0.000 0.472 307 D N -0.415 119.831 120.400 -0.257 0.000 2.333 307 D HA 0.112 4.752 4.640 0.001 0.000 0.208 307 D C 0.474 176.294 176.300 -0.799 0.000 0.984 307 D CA 0.231 53.956 54.000 -0.459 0.000 0.873 307 D CB -0.010 40.522 40.800 -0.447 0.000 0.935 307 D HN 0.389 nan 8.370 nan 0.000 0.521 308 L N 1.006 121.909 121.223 -0.533 0.000 2.380 308 L HA 0.193 4.534 4.340 0.001 0.000 0.273 308 L C -0.181 176.375 176.870 -0.523 0.000 1.138 308 L CA 0.175 54.776 54.840 -0.399 0.000 0.832 308 L CB 0.433 42.440 42.059 -0.086 0.000 1.124 308 L HN -0.059 nan 8.230 nan 0.000 0.454 309 H N 1.220 120.293 119.070 0.005 0.000 2.679 309 H HA 0.503 5.059 4.556 0.001 0.000 0.360 309 H C -0.174 175.190 175.328 0.060 0.000 1.105 309 H CA -0.761 55.303 56.048 0.028 0.000 1.196 309 H CB 1.616 31.391 29.762 0.022 0.000 1.636 309 H HN 0.746 nan 8.280 nan 0.000 0.531 310 A N 2.440 125.368 122.820 0.180 0.000 2.511 310 A HA 0.084 4.404 4.320 0.001 0.000 0.242 310 A C 0.937 178.596 177.584 0.125 0.000 1.069 310 A CA -0.191 51.924 52.037 0.129 0.000 0.763 310 A CB 0.201 19.263 19.000 0.104 0.000 1.001 310 A HN 0.761 nan 8.150 nan 0.000 0.498 311 L N 3.128 124.416 121.223 0.108 0.000 2.102 311 L HA 0.232 4.572 4.340 0.001 0.000 0.202 311 L C 0.541 177.441 176.870 0.051 0.000 1.076 311 L CA 1.267 56.157 54.840 0.085 0.000 0.761 311 L CB -0.045 42.050 42.059 0.059 0.000 0.921 311 L HN 0.635 nan 8.230 nan 0.000 0.444 312 I N 1.123 121.719 120.570 0.043 0.000 2.377 312 I HA 0.217 4.388 4.170 0.001 0.000 0.293 312 I C -0.484 175.659 176.117 0.043 0.000 0.987 312 I CA -0.484 60.836 61.300 0.034 0.000 1.185 312 I CB 0.917 38.932 38.000 0.025 0.000 1.341 312 I HN 0.193 nan 8.210 nan 0.000 0.455 313 D N 6.372 126.796 120.400 0.039 0.000 2.803 313 D HA -0.142 4.499 4.640 0.001 0.000 0.233 313 D C -1.515 174.816 176.300 0.052 0.000 1.182 313 D CA 0.188 54.213 54.000 0.041 0.000 0.726 313 D CB -0.518 40.305 40.800 0.038 0.000 0.987 313 D HN 0.455 nan 8.370 nan 0.000 0.412 314 P HA -0.089 nan 4.420 nan 0.000 0.218 314 P C 0.548 177.896 177.300 0.081 0.000 1.149 314 P CA 0.984 64.127 63.100 0.072 0.000 0.817 314 P CB 0.280 32.021 31.700 0.069 0.000 0.785 315 A N 0.525 123.390 122.820 0.075 0.000 2.477 315 A HA 0.437 4.757 4.320 0.001 0.000 0.246 315 A C 0.665 178.314 177.584 0.108 0.000 1.078 315 A CA -0.015 52.078 52.037 0.094 0.000 0.770 315 A CB -0.312 18.735 19.000 0.077 0.000 1.011 315 A HN 0.292 nan 8.150 nan 0.000 0.494 316 A N 4.213 127.124 122.820 0.153 0.000 2.462 316 A HA 0.547 4.868 4.320 0.001 0.000 0.243 316 A C -1.877 175.789 177.584 0.137 0.000 1.076 316 A CA -1.047 51.094 52.037 0.172 0.000 0.773 316 A CB -0.533 18.638 19.000 0.285 0.000 1.010 316 A HN 0.718 nan 8.150 nan 0.000 0.493 317 P HA 0.435 nan 4.420 nan 0.000 0.272 317 P C 0.581 177.895 177.300 0.022 0.000 1.223 317 P CA 1.328 64.453 63.100 0.042 0.000 0.784 317 P CB 0.522 32.230 31.700 0.014 0.000 0.923 318 G N 1.399 110.187 108.800 -0.020 0.000 2.728 318 G HA2 -0.175 3.786 3.960 0.001 0.000 0.294 318 G HA3 -0.175 3.786 3.960 0.001 0.000 0.294 318 G C -0.585 174.251 174.900 -0.105 0.000 1.342 318 G CA -0.665 44.398 45.100 -0.062 0.000 0.866 318 G HN 0.545 nan 8.290 nan 0.000 0.534 319 I N 2.506 122.985 120.570 -0.152 0.000 2.618 319 I HA 0.213 4.383 4.170 0.001 0.000 0.284 319 I C -1.052 174.815 176.117 -0.418 0.000 1.146 319 I CA -1.223 59.946 61.300 -0.218 0.000 1.425 319 I CB 1.182 39.070 38.000 -0.186 0.000 1.383 319 I HN 0.322 nan 8.210 nan 0.000 0.562 320 P HA 0.078 nan 4.420 nan 0.000 0.228 320 P C -0.760 175.782 177.300 -1.263 0.000 1.748 320 P CA 0.042 62.488 63.100 -1.090 0.000 0.909 320 P CB -0.273 31.156 31.700 -0.452 0.000 1.882 321 T N 1.367 115.293 114.554 -1.047 0.000 3.071 321 T HA 0.352 4.702 4.350 0.001 0.000 0.311 321 T C -2.932 171.551 174.700 -0.363 0.000 1.042 321 T CA -1.695 60.076 62.100 -0.548 0.000 1.028 321 T CB 1.725 70.409 68.868 -0.306 0.000 1.068 321 T HN -0.091 nan 8.240 nan 0.000 0.451 322 P HA 0.202 nan 4.420 nan 0.000 0.264 322 P C 1.112 178.327 177.300 -0.140 0.000 1.183 322 P CA 0.994 63.974 63.100 -0.200 0.000 0.763 322 P CB 0.195 31.559 31.700 -0.559 0.000 0.807 323 G N 2.335 111.087 108.800 -0.080 0.000 2.168 323 G HA2 -0.249 3.712 3.960 0.001 0.000 0.263 323 G HA3 -0.249 3.712 3.960 0.001 0.000 0.263 323 G C 0.673 175.514 174.900 -0.098 0.000 0.977 323 G CA 0.239 45.291 45.100 -0.081 0.000 0.659 323 G HN 0.811 nan 8.290 nan 0.000 0.533 324 A N -0.738 122.008 122.820 -0.122 0.000 2.610 324 A HA 0.846 5.166 4.320 0.001 0.000 0.286 324 A C 1.256 178.766 177.584 -0.123 0.000 1.306 324 A CA 1.346 53.305 52.037 -0.130 0.000 0.942 324 A CB -0.120 18.781 19.000 -0.164 0.000 1.112 324 A HN 1.926 nan 8.150 nan 0.000 0.527 325 A N -0.385 122.368 122.820 -0.111 0.000 2.280 325 A HA 0.429 4.750 4.320 0.001 0.000 0.268 325 A C 0.814 178.328 177.584 -0.116 0.000 1.111 325 A CA 0.008 51.975 52.037 -0.117 0.000 0.814 325 A CB 0.289 19.212 19.000 -0.129 0.000 1.093 325 A HN 0.314 nan 8.150 nan 0.000 0.498 326 D N -0.831 119.495 120.400 -0.123 0.000 2.097 326 D HA -0.031 4.610 4.640 0.001 0.000 0.197 326 D C 0.247 176.481 176.300 -0.111 0.000 0.984 326 D CA 1.599 55.535 54.000 -0.107 0.000 0.826 326 D CB -0.145 40.592 40.800 -0.105 0.000 0.973 326 D HN 0.178 nan 8.370 nan 0.000 0.460 327 V N 2.166 121.992 119.914 -0.147 0.000 2.409 327 V HA 0.266 4.386 4.120 0.001 0.000 0.291 327 V C -0.360 175.630 176.094 -0.173 0.000 1.020 327 V CA -0.817 61.394 62.300 -0.148 0.000 0.848 327 V CB 1.798 33.519 31.823 -0.169 0.000 0.990 327 V HN 0.020 nan 8.190 nan 0.000 0.430 328 N N 5.925 124.539 118.700 -0.143 0.000 2.518 328 N HA 0.574 5.314 4.740 0.001 0.000 0.254 328 N C -1.177 174.225 175.510 -0.181 0.000 0.979 328 N CA -0.289 52.672 53.050 -0.149 0.000 0.930 328 N CB 2.390 40.809 38.487 -0.113 0.000 1.152 328 N HN 0.514 nan 8.380 nan 0.000 0.505 329 L N 1.389 122.466 121.223 -0.244 0.000 2.346 329 L HA 0.571 4.912 4.340 0.001 0.000 0.276 329 L C 0.342 176.947 176.870 -0.442 0.000 1.006 329 L CA -0.778 53.815 54.840 -0.412 0.000 0.817 329 L CB 2.340 44.059 42.059 -0.567 0.000 1.272 329 L HN 0.224 nan 8.230 nan 0.000 0.421 330 R N 2.196 122.395 120.500 -0.502 0.000 2.439 330 R HA 0.581 4.921 4.340 0.001 0.000 0.310 330 R C -1.721 174.327 176.300 -0.420 0.000 0.955 330 R CA -0.489 55.411 56.100 -0.334 0.000 0.853 330 R CB 1.156 31.359 30.300 -0.162 0.000 1.171 330 R HN 0.336 nan 8.270 nan 0.000 0.449 331 F N 1.909 121.833 119.950 -0.044 0.000 2.450 331 F HA 0.311 4.838 4.527 0.001 0.000 0.332 331 F C 0.184 175.964 175.800 -0.032 0.000 1.093 331 F CA -0.625 57.348 58.000 -0.045 0.000 1.003 331 F CB 2.030 41.000 39.000 -0.050 0.000 1.151 331 F HN 0.412 nan 8.300 nan 0.000 0.474 332 Q N 3.412 123.340 119.800 0.213 0.000 2.372 332 Q HA 0.491 4.832 4.340 0.001 0.000 0.259 332 Q C -1.454 174.616 176.000 0.117 0.000 0.993 332 Q CA -0.158 55.720 55.803 0.124 0.000 0.854 332 Q CB 0.806 29.607 28.738 0.104 0.000 1.231 332 Q HN 0.646 nan 8.270 nan 0.000 0.462 333 L N 2.730 124.000 121.223 0.077 0.000 2.395 333 L HA 0.802 5.143 4.340 0.001 0.000 0.269 333 L C 0.643 177.585 176.870 0.120 0.000 1.133 333 L CA -0.402 54.484 54.840 0.076 0.000 0.812 333 L CB 1.174 43.236 42.059 0.005 0.000 1.125 333 L HN 0.787 nan 8.230 nan 0.000 0.452 334 G N 1.379 110.282 108.800 0.171 0.000 2.695 334 G HA2 0.604 4.564 3.960 0.001 0.000 0.290 334 G HA3 0.604 4.564 3.960 0.001 0.000 0.290 334 G C -2.138 172.935 174.900 0.288 0.000 1.410 334 G CA -0.299 44.913 45.100 0.186 0.000 0.844 334 G HN 0.309 nan 8.290 nan 0.000 0.478 335 F N 1.209 121.177 119.950 0.030 0.000 2.828 335 F HA 0.705 5.233 4.527 0.001 0.000 0.355 335 F C -0.494 175.249 175.800 -0.094 0.000 1.200 335 F CA -0.662 57.276 58.000 -0.102 0.000 1.062 335 F CB 1.775 40.662 39.000 -0.187 0.000 1.351 335 F HN 0.395 nan 8.300 nan 0.000 0.504 336 S N 2.798 118.170 115.700 -0.548 0.000 2.575 336 S HA 0.594 5.064 4.470 0.001 0.000 0.278 336 S C 0.072 174.393 174.600 -0.465 0.000 1.139 336 S CA -0.211 57.745 58.200 -0.407 0.000 0.954 336 S CB 1.684 64.786 63.200 -0.163 0.000 1.054 336 S HN 1.347 nan 8.310 nan 0.000 0.483 337 G N 1.720 110.292 108.800 -0.380 0.000 2.272 337 G HA2 0.013 3.973 3.960 0.001 0.000 0.280 337 G HA3 0.013 3.973 3.960 0.001 0.000 0.280 337 G C 1.042 175.727 174.900 -0.358 0.000 1.067 337 G CA 0.540 45.471 45.100 -0.282 0.000 0.902 337 G HN 2.027 nan 8.290 nan 0.000 0.500 338 G N -1.031 107.433 108.800 -0.560 0.000 2.179 338 G HA2 -0.122 3.838 3.960 0.001 0.000 0.257 338 G HA3 -0.122 3.838 3.960 0.001 0.000 0.257 338 G C 0.360 174.936 174.900 -0.541 0.000 1.010 338 G CA 1.460 46.271 45.100 -0.483 0.000 0.736 338 G HN 2.014 nan 8.290 nan 0.000 0.513 339 R N -1.479 118.542 120.500 -0.799 0.000 2.651 339 R HA 0.692 5.032 4.340 0.001 0.000 0.278 339 R C -0.917 175.124 176.300 -0.432 0.000 1.010 339 R CA -1.210 54.646 56.100 -0.407 0.000 0.896 339 R CB 1.033 31.238 30.300 -0.158 0.000 1.211 339 R HN 0.005 nan 8.270 nan 0.000 0.456 340 F N 1.339 121.326 119.950 0.062 0.000 2.418 340 F HA 0.334 4.862 4.527 0.001 0.000 0.341 340 F C 1.147 176.981 175.800 0.056 0.000 1.120 340 F CA 0.511 58.600 58.000 0.149 0.000 1.232 340 F CB 1.596 40.685 39.000 0.148 0.000 1.175 340 F HN 0.669 nan 8.300 nan 0.000 0.569 341 T N 0.706 115.411 114.554 0.253 0.000 2.901 341 T HA 0.747 5.097 4.350 0.001 0.000 0.293 341 T C -1.097 173.699 174.700 0.161 0.000 1.084 341 T CA -0.819 61.378 62.100 0.162 0.000 1.008 341 T CB 1.943 70.867 68.868 0.094 0.000 1.170 341 T HN 0.586 nan 8.240 nan 0.000 0.509 342 I N 0.973 121.628 120.570 0.141 0.000 2.468 342 I HA 0.537 4.707 4.170 0.001 0.000 0.285 342 I C -0.886 175.338 176.117 0.178 0.000 1.039 342 I CA -0.292 61.085 61.300 0.129 0.000 1.074 342 I CB 0.974 39.002 38.000 0.047 0.000 1.228 342 I HN 0.869 nan 8.210 nan 0.000 0.436 343 N N 5.469 124.285 118.700 0.194 0.000 2.725 343 N HA -0.181 4.560 4.740 0.001 0.000 0.251 343 N C 0.865 176.471 175.510 0.160 0.000 1.031 343 N CA 1.503 54.677 53.050 0.206 0.000 0.720 343 N CB -1.085 37.591 38.487 0.316 0.000 0.930 343 N HN 1.289 nan 8.380 nan 0.000 0.543 344 G N -2.899 105.973 108.800 0.119 0.000 2.212 344 G HA2 -0.339 3.622 3.960 0.001 0.000 0.266 344 G HA3 -0.339 3.622 3.960 0.001 0.000 0.266 344 G C 0.238 175.184 174.900 0.078 0.000 0.978 344 G CA 0.797 45.948 45.100 0.084 0.000 0.632 344 G HN 0.577 nan 8.290 nan 0.000 0.537 345 T N 0.817 115.433 114.554 0.104 0.000 2.823 345 T HA 0.729 5.079 4.350 0.001 0.000 0.279 345 T C 0.208 174.972 174.700 0.106 0.000 0.998 345 T CA 0.367 62.520 62.100 0.088 0.000 0.994 345 T CB 1.922 70.846 68.868 0.093 0.000 0.960 345 T HN 1.292 nan 8.240 nan 0.000 0.448 346 A N 2.646 125.513 122.820 0.079 0.000 2.301 346 A HA 0.565 4.885 4.320 0.001 0.000 0.298 346 A C -0.683 176.971 177.584 0.116 0.000 1.185 346 A CA -0.589 51.510 52.037 0.102 0.000 0.830 346 A CB 0.067 19.097 19.000 0.050 0.000 1.112 346 A HN 0.861 nan 8.150 nan 0.000 0.508 347 Y N 1.754 122.092 120.300 0.063 0.000 2.442 347 Y HA 0.378 4.929 4.550 0.001 0.000 0.330 347 Y C 0.191 176.123 175.900 0.053 0.000 1.129 347 Y CA 0.726 58.865 58.100 0.065 0.000 1.365 347 Y CB 0.510 39.023 38.460 0.088 0.000 1.233 347 Y HN 0.727 nan 8.280 nan 0.000 0.529 348 E N 3.108 122.878 120.200 -0.718 0.000 2.275 348 E HA 0.209 4.559 4.350 0.001 0.000 0.270 348 E C -1.316 174.792 176.600 -0.820 0.000 0.882 348 E CA -0.909 55.170 56.400 -0.534 0.000 0.758 348 E CB 1.789 31.344 29.700 -0.242 0.000 1.195 348 E HN 0.567 nan 8.360 nan 0.000 0.419 349 S N 3.850 119.251 115.700 -0.497 0.000 2.498 349 S HA 0.180 4.651 4.470 0.001 0.000 0.281 349 S C -1.780 172.725 174.600 -0.158 0.000 1.265 349 S CA -1.186 56.863 58.200 -0.252 0.000 1.071 349 S CB 0.169 63.384 63.200 0.025 0.000 0.894 349 S HN 0.281 nan 8.310 nan 0.000 0.491 350 P HA 0.166 nan 4.420 nan 0.000 0.272 350 P C 0.520 177.795 177.300 -0.040 0.000 1.240 350 P CA -0.456 62.593 63.100 -0.084 0.000 0.791 350 P CB 0.724 32.381 31.700 -0.072 0.000 0.978 351 S N -0.449 115.233 115.700 -0.030 0.000 2.470 351 S HA 0.055 4.526 4.470 0.001 0.000 0.225 351 S C 0.835 175.422 174.600 -0.022 0.000 1.006 351 S CA 0.060 58.255 58.200 -0.007 0.000 0.934 351 S CB -0.287 62.909 63.200 -0.008 0.000 0.778 351 S HN 0.285 nan 8.310 nan 0.000 0.517 352 V N 4.449 124.340 119.914 -0.038 0.000 2.384 352 V HA 0.426 4.546 4.120 0.001 0.000 0.287 352 V C -2.580 173.483 176.094 -0.050 0.000 1.020 352 V CA -2.404 59.865 62.300 -0.052 0.000 0.850 352 V CB 1.366 33.162 31.823 -0.045 0.000 0.987 352 V HN 0.143 nan 8.190 nan 0.000 0.436 353 P HA 0.082 nan 4.420 nan 0.000 0.265 353 P C 1.114 178.405 177.300 -0.014 0.000 1.193 353 P CA 0.197 63.267 63.100 -0.050 0.000 0.765 353 P CB 0.487 32.157 31.700 -0.049 0.000 0.823 354 T N 2.671 117.203 114.554 -0.038 0.000 2.653 354 T HA -0.219 4.131 4.350 0.001 0.000 0.268 354 T C 1.716 176.423 174.700 0.011 0.000 1.035 354 T CA 1.068 63.151 62.100 -0.029 0.000 1.154 354 T CB -0.657 68.165 68.868 -0.076 0.000 0.862 354 T HN 0.353 nan 8.240 nan 0.000 0.441 355 L N 0.155 121.408 121.223 0.050 0.000 2.046 355 L HA -0.064 4.276 4.340 0.001 0.000 0.208 355 L C 2.449 179.458 176.870 0.232 0.000 1.077 355 L CA 1.447 56.348 54.840 0.101 0.000 0.747 355 L CB -0.450 41.683 42.059 0.124 0.000 0.896 355 L HN 0.262 nan 8.230 nan 0.000 0.432 356 L N -0.015 121.402 121.223 0.324 0.000 2.093 356 L HA -0.226 4.114 4.340 0.001 0.000 0.208 356 L C 2.517 179.448 176.870 0.101 0.000 1.085 356 L CA 1.624 56.611 54.840 0.245 0.000 0.755 356 L CB -0.535 41.534 42.059 0.017 0.000 0.904 356 L HN 0.298 nan 8.230 nan 0.000 0.435 357 Q N -0.661 119.171 119.800 0.053 0.000 2.084 357 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 357 Q C 2.247 178.266 176.000 0.032 0.000 0.978 357 Q CA 2.090 57.909 55.803 0.026 0.000 0.844 357 Q CB -0.249 28.492 28.738 0.006 0.000 0.898 357 Q HN 0.549 nan 8.270 nan 0.000 0.426 358 I N 0.235 120.827 120.570 0.036 0.000 2.252 358 I HA -0.254 3.917 4.170 0.001 0.000 0.245 358 I C 2.170 178.309 176.117 0.036 0.000 1.102 358 I CA 0.824 62.140 61.300 0.027 0.000 1.385 358 I CB -0.198 37.809 38.000 0.012 0.000 1.064 358 I HN 0.278 nan 8.210 nan 0.000 0.414 359 M N -0.400 119.237 119.600 0.061 0.000 2.374 359 M HA -0.098 4.383 4.480 0.001 0.000 0.264 359 M C 2.092 178.424 176.300 0.053 0.000 1.067 359 M CA 1.295 56.633 55.300 0.063 0.000 1.103 359 M CB -1.088 31.580 32.600 0.113 0.000 1.402 359 M HN 0.089 nan 8.290 nan 0.000 0.444 360 S N -0.447 115.282 115.700 0.048 0.000 2.593 360 S HA 0.308 4.778 4.470 0.001 0.000 0.217 360 S C 1.469 176.081 174.600 0.019 0.000 0.966 360 S CA 0.706 58.924 58.200 0.030 0.000 0.914 360 S CB 0.226 63.439 63.200 0.022 0.000 0.776 360 S HN 0.744 nan 8.310 nan 0.000 0.523 361 G N 0.728 109.540 108.800 0.020 0.000 2.318 361 G HA2 -0.063 3.898 3.960 0.001 0.000 0.172 361 G HA3 -0.063 3.898 3.960 0.001 0.000 0.172 361 G C 0.173 175.080 174.900 0.013 0.000 1.002 361 G CA -0.330 44.779 45.100 0.014 0.000 0.697 361 G HN 0.694 nan 8.290 nan 0.000 0.483 362 A N 0.119 122.947 122.820 0.014 0.000 2.511 362 A HA 0.598 4.919 4.320 0.001 0.000 0.242 362 A C 0.988 178.581 177.584 0.015 0.000 1.069 362 A CA 1.429 53.473 52.037 0.012 0.000 0.763 362 A CB 0.366 19.372 19.000 0.010 0.000 1.001 362 A HN 0.473 nan 8.150 nan 0.000 0.498 363 Q N 0.200 120.009 119.800 0.015 0.000 2.316 363 Q HA 0.174 4.514 4.340 0.001 0.000 0.235 363 Q C 0.333 176.347 176.000 0.023 0.000 0.863 363 Q CA 0.660 56.474 55.803 0.018 0.000 0.939 363 Q CB 0.558 29.306 28.738 0.016 0.000 1.108 363 Q HN 0.970 nan 8.270 nan 0.000 0.522 364 S N -2.493 113.220 115.700 0.021 0.000 2.625 364 S HA 0.631 5.101 4.470 0.001 0.000 0.271 364 S C 0.402 175.016 174.600 0.022 0.000 1.161 364 S CA -0.314 57.902 58.200 0.026 0.000 0.820 364 S CB 0.917 64.131 63.200 0.023 0.000 1.137 364 S HN 0.009 nan 8.310 nan 0.000 0.470 365 A N 1.524 124.361 122.820 0.028 0.000 1.940 365 A HA -0.105 4.215 4.320 0.001 0.000 0.219 365 A C 1.748 179.326 177.584 -0.009 0.000 1.176 365 A CA 1.970 54.014 52.037 0.013 0.000 0.631 365 A CB -1.705 17.304 19.000 0.016 0.000 0.814 365 A HN 0.911 nan 8.150 nan 0.000 0.446 366 N N -0.124 118.574 118.700 -0.004 0.000 2.258 366 N HA -0.151 4.590 4.740 0.001 0.000 0.187 366 N C 0.351 175.855 175.510 -0.010 0.000 1.012 366 N CA 1.173 54.217 53.050 -0.010 0.000 0.870 366 N CB -0.140 38.346 38.487 -0.002 0.000 0.977 366 N HN 0.449 nan 8.380 nan 0.000 0.434 367 D N 0.243 120.640 120.400 -0.005 0.000 2.350 367 D HA 0.111 4.752 4.640 0.001 0.000 0.213 367 D C 0.217 176.512 176.300 -0.009 0.000 1.031 367 D CA 0.303 54.300 54.000 -0.005 0.000 0.861 367 D CB 0.404 41.204 40.800 0.000 0.000 0.926 367 D HN 0.214 nan 8.370 nan 0.000 0.520 368 L N 0.872 122.088 121.223 -0.012 0.000 2.343 368 L HA 0.392 4.732 4.340 0.001 0.000 0.275 368 L C 0.065 176.920 176.870 -0.025 0.000 1.056 368 L CA -0.637 54.195 54.840 -0.014 0.000 0.804 368 L CB 1.649 43.704 42.059 -0.007 0.000 1.203 368 L HN -0.308 nan 8.230 nan 0.000 0.440 369 L N 3.510 124.716 121.223 -0.027 0.000 2.331 369 L HA 0.565 4.905 4.340 0.001 0.000 0.275 369 L C -2.258 174.588 176.870 -0.039 0.000 1.022 369 L CA -1.893 52.924 54.840 -0.039 0.000 0.812 369 L CB 1.887 43.921 42.059 -0.042 0.000 1.257 369 L HN 0.352 nan 8.230 nan 0.000 0.435 370 P HA 0.222 nan 4.420 nan 0.000 0.288 370 P C -0.791 176.478 177.300 -0.051 0.000 1.267 370 P CA -0.510 62.547 63.100 -0.072 0.000 0.815 370 P CB 1.339 32.958 31.700 -0.136 0.000 0.989 371 A N 2.332 125.122 122.820 -0.049 0.000 2.540 371 A HA 0.400 4.720 4.320 0.001 0.000 0.239 371 A C 1.510 179.068 177.584 -0.043 0.000 1.061 371 A CA 0.956 52.965 52.037 -0.047 0.000 0.758 371 A CB -1.452 17.526 19.000 -0.037 0.000 0.991 371 A HN 0.917 nan 8.150 nan 0.000 0.502 372 G N 1.151 109.912 108.800 -0.066 0.000 2.199 372 G HA2 -0.232 3.729 3.960 0.001 0.000 0.254 372 G HA3 -0.232 3.729 3.960 0.001 0.000 0.254 372 G C 0.843 175.727 174.900 -0.028 0.000 0.982 372 G CA 0.713 45.785 45.100 -0.047 0.000 0.632 372 G HN 1.271 nan 8.290 nan 0.000 0.529 373 S N -0.835 114.851 115.700 -0.023 0.000 2.559 373 S HA 0.481 4.952 4.470 0.001 0.000 0.226 373 S C 0.347 174.964 174.600 0.028 0.000 1.000 373 S CA 0.435 58.692 58.200 0.094 0.000 0.948 373 S CB 1.308 64.637 63.200 0.215 0.000 0.870 373 S HN 0.488 nan 8.310 nan 0.000 0.497 374 V N 2.531 122.336 119.914 -0.182 0.000 2.409 374 V HA 0.489 4.610 4.120 0.001 0.000 0.291 374 V C -1.422 174.493 176.094 -0.298 0.000 1.020 374 V CA -0.610 61.622 62.300 -0.114 0.000 0.848 374 V CB 0.945 32.743 31.823 -0.042 0.000 0.990 374 V HN 0.308 nan 8.190 nan 0.000 0.430 375 Y N 2.158 122.550 120.300 0.153 0.000 2.350 375 Y HA 0.475 5.026 4.550 0.001 0.000 0.338 375 Y C 0.289 176.398 175.900 0.348 0.000 0.961 375 Y CA -0.746 57.520 58.100 0.278 0.000 1.100 375 Y CB 1.704 40.423 38.460 0.431 0.000 1.179 375 Y HN 0.660 nan 8.280 nan 0.000 0.454 376 E N 2.617 123.029 120.200 0.354 0.000 2.331 376 E HA 0.469 4.820 4.350 0.001 0.000 0.272 376 E C -1.644 175.114 176.600 0.264 0.000 1.036 376 E CA -0.479 56.079 56.400 0.263 0.000 0.864 376 E CB 0.648 30.442 29.700 0.157 0.000 1.035 376 E HN 0.432 nan 8.360 nan 0.000 0.408 377 L N 6.135 127.483 121.223 0.208 0.000 2.386 377 L HA 0.499 4.839 4.340 0.001 0.000 0.271 377 L C -2.300 174.622 176.870 0.086 0.000 0.993 377 L CA -2.397 52.511 54.840 0.115 0.000 0.819 377 L CB 1.517 43.620 42.059 0.073 0.000 1.294 377 L HN 0.583 nan 8.230 nan 0.000 0.414 378 P HA 0.229 nan 4.420 nan 0.000 0.274 378 P C -0.791 176.530 177.300 0.034 0.000 1.256 378 P CA -0.736 62.384 63.100 0.033 0.000 0.795 378 P CB 0.767 32.472 31.700 0.008 0.000 1.038 379 R N 1.033 121.555 120.500 0.037 0.000 2.441 379 R HA 0.132 4.473 4.340 0.001 0.000 0.284 379 R C 0.092 176.405 176.300 0.021 0.000 1.070 379 R CA -0.082 56.045 56.100 0.045 0.000 1.047 379 R CB -0.783 29.545 30.300 0.045 0.000 1.016 379 R HN 0.499 nan 8.270 nan 0.000 0.477 380 N N 2.283 121.000 118.700 0.028 0.000 2.688 380 N HA -0.224 4.517 4.740 0.001 0.000 0.258 380 N C -1.236 174.260 175.510 -0.023 0.000 1.016 380 N CA 0.683 53.739 53.050 0.009 0.000 0.747 380 N CB -0.293 38.202 38.487 0.013 0.000 0.895 380 N HN 0.631 nan 8.380 nan 0.000 0.543 381 Q N -0.417 119.350 119.800 -0.056 0.000 2.458 381 Q HA 0.509 4.849 4.340 0.001 0.000 0.282 381 Q C -0.426 175.479 176.000 -0.158 0.000 1.106 381 Q CA -0.888 54.859 55.803 -0.093 0.000 0.814 381 Q CB 2.257 30.936 28.738 -0.098 0.000 1.425 381 Q HN 0.010 nan 8.270 nan 0.000 0.437 382 V N 1.755 121.570 119.914 -0.165 0.000 2.408 382 V HA 0.210 4.330 4.120 0.001 0.000 0.267 382 V C 0.068 175.972 176.094 -0.317 0.000 1.047 382 V CA -0.411 61.758 62.300 -0.217 0.000 0.937 382 V CB 0.969 32.708 31.823 -0.141 0.000 0.999 382 V HN 0.536 nan 8.190 nan 0.000 0.472 383 V N 4.235 123.820 119.914 -0.550 0.000 2.547 383 V HA 0.676 4.796 4.120 0.001 0.000 0.299 383 V C -0.371 175.421 176.094 -0.502 0.000 1.040 383 V CA -0.414 61.513 62.300 -0.622 0.000 0.913 383 V CB 1.760 33.059 31.823 -0.874 0.000 0.992 383 V HN 0.992 nan 8.190 nan 0.000 0.449 384 E N 5.294 125.311 120.200 -0.306 0.000 2.155 384 E HA 0.529 4.879 4.350 0.001 0.000 0.264 384 E C -1.471 175.033 176.600 -0.161 0.000 0.886 384 E CA -0.689 55.609 56.400 -0.171 0.000 0.752 384 E CB 1.560 31.214 29.700 -0.076 0.000 1.133 384 E HN 0.869 nan 8.360 nan 0.000 0.414 385 L N 4.317 125.470 121.223 -0.117 0.000 2.295 385 L HA 0.520 4.860 4.340 0.001 0.000 0.285 385 L C -0.707 176.146 176.870 -0.028 0.000 1.035 385 L CA -1.130 53.666 54.840 -0.073 0.000 0.806 385 L CB 1.721 43.773 42.059 -0.012 0.000 1.214 385 L HN 0.352 nan 8.230 nan 0.000 0.426 386 V N 4.101 123.995 119.914 -0.034 0.000 2.409 386 V HA 0.362 4.483 4.120 0.001 0.000 0.291 386 V C -0.124 175.979 176.094 0.015 0.000 1.020 386 V CA -0.549 61.750 62.300 -0.003 0.000 0.848 386 V CB 2.074 33.893 31.823 -0.006 0.000 0.990 386 V HN 0.463 nan 8.190 nan 0.000 0.430 387 V N 6.695 126.613 119.914 0.008 0.000 2.315 387 V HA 0.308 4.428 4.120 0.001 0.000 0.265 387 V C -2.480 173.583 176.094 -0.052 0.000 1.019 387 V CA -1.707 60.578 62.300 -0.025 0.000 0.824 387 V CB 1.247 32.994 31.823 -0.127 0.000 1.072 387 V HN 0.717 nan 8.190 nan 0.000 0.448 388 P HA 0.226 nan 4.420 nan 0.000 0.264 388 P C 0.163 177.461 177.300 -0.004 0.000 1.193 388 P CA 0.512 63.610 63.100 -0.005 0.000 0.763 388 P CB 0.762 32.469 31.700 0.013 0.000 0.810 389 A N 2.733 125.558 122.820 0.008 0.000 2.280 389 A HA 0.674 4.994 4.320 0.001 0.000 0.268 389 A C 1.291 178.906 177.584 0.051 0.000 1.111 389 A CA 0.538 52.598 52.037 0.038 0.000 0.814 389 A CB -0.176 18.850 19.000 0.044 0.000 1.093 389 A HN 0.698 nan 8.150 nan 0.000 0.498 390 G N -1.785 107.063 108.800 0.080 0.000 3.768 390 G HA2 0.059 4.019 3.960 0.001 0.000 0.214 390 G HA3 0.059 4.019 3.960 0.001 0.000 0.214 390 G C 0.291 175.254 174.900 0.105 0.000 1.058 390 G CA 0.289 45.435 45.100 0.076 0.000 0.890 390 G HN 1.480 nan 8.290 nan 0.000 0.393 391 V N 4.070 124.063 119.914 0.132 0.000 2.763 391 V HA 0.458 4.579 4.120 0.001 0.000 0.306 391 V C 1.314 177.555 176.094 0.246 0.000 1.059 391 V CA 0.088 62.495 62.300 0.178 0.000 1.138 391 V CB 0.475 32.403 31.823 0.176 0.000 0.940 391 V HN 0.868 nan 8.190 nan 0.000 0.489 392 L N 5.121 126.444 121.223 0.166 0.000 2.479 392 L HA 0.635 4.975 4.340 0.001 0.000 0.270 392 L C 1.274 178.249 176.870 0.176 0.000 1.236 392 L CA 0.827 55.713 54.840 0.077 0.000 0.823 392 L CB -0.591 41.400 42.059 -0.114 0.000 1.098 392 L HN 1.081 nan 8.230 nan 0.000 0.500 393 G N -0.446 108.376 108.800 0.037 0.000 2.159 393 G HA2 -0.119 3.842 3.960 0.001 0.000 0.256 393 G HA3 -0.119 3.842 3.960 0.001 0.000 0.256 393 G C 0.437 175.208 174.900 -0.214 0.000 0.977 393 G CA 0.034 45.142 45.100 0.012 0.000 0.652 393 G HN 1.259 nan 8.290 nan 0.000 0.531 394 G N -0.027 108.601 108.800 -0.287 0.000 2.563 394 G HA2 0.683 4.644 3.960 0.001 0.000 0.283 394 G HA3 0.683 4.644 3.960 0.001 0.000 0.283 394 G C -1.577 173.226 174.900 -0.161 0.000 1.309 394 G CA -0.342 44.479 45.100 -0.465 0.000 1.022 394 G HN 0.327 nan 8.290 nan 0.000 0.501 395 P HA 0.243 nan 4.420 nan 0.000 0.280 395 P C -0.896 176.298 177.300 -0.176 0.000 1.244 395 P CA -0.239 62.799 63.100 -0.104 0.000 0.784 395 P CB 0.723 32.399 31.700 -0.041 0.000 0.913 396 H N 3.533 122.629 119.070 0.044 0.000 2.604 396 H HA 0.259 4.816 4.556 0.001 0.000 0.306 396 H C -2.107 173.265 175.328 0.074 0.000 1.075 396 H CA -1.726 54.380 56.048 0.097 0.000 1.357 396 H CB 0.869 30.746 29.762 0.191 0.000 1.426 396 H HN 0.261 nan 8.280 nan 0.000 0.470 397 P HA 0.174 nan 4.420 nan 0.000 0.291 397 P C -0.561 176.836 177.300 0.162 0.000 1.378 397 P CA -0.396 62.751 63.100 0.078 0.000 0.853 397 P CB -0.041 31.691 31.700 0.053 0.000 1.002 398 F N 3.137 123.080 119.950 -0.012 0.000 2.379 398 F HA 0.411 4.939 4.527 0.001 0.000 0.332 398 F C 1.322 177.193 175.800 0.119 0.000 1.096 398 F CA 0.262 58.193 58.000 -0.115 0.000 1.105 398 F CB 0.914 39.701 39.000 -0.354 0.000 1.189 398 F HN 0.408 nan 8.300 nan 0.000 0.515 399 H N 2.538 121.598 119.070 -0.016 0.000 2.768 399 H HA 0.648 5.204 4.556 0.001 0.000 0.371 399 H C -2.085 173.445 175.328 0.336 0.000 1.151 399 H CA -1.053 55.131 56.048 0.227 0.000 1.165 399 H CB 1.513 31.419 29.762 0.240 0.000 1.722 399 H HN 0.635 nan 8.280 nan 0.000 0.543 400 L N 4.954 126.370 121.223 0.322 0.000 2.325 400 L HA 0.358 4.699 4.340 0.001 0.000 0.281 400 L C -0.477 176.428 176.870 0.058 0.000 1.004 400 L CA -0.726 54.296 54.840 0.303 0.000 0.823 400 L CB 1.026 43.278 42.059 0.322 0.000 1.236 400 L HN 0.847 nan 8.230 nan 0.000 0.415 401 H N 3.077 122.097 119.070 -0.082 0.000 2.615 401 H HA 0.152 4.709 4.556 0.001 0.000 0.363 401 H C 0.992 176.181 175.328 -0.231 0.000 1.148 401 H CA 0.784 56.838 56.048 0.010 0.000 1.401 401 H CB 1.434 31.354 29.762 0.264 0.000 1.461 401 H HN 0.940 nan 8.280 nan 0.000 0.588 402 G N 1.482 110.001 108.800 -0.469 0.000 2.267 402 G HA2 -0.226 3.734 3.960 0.001 0.000 0.257 402 G HA3 -0.226 3.734 3.960 0.001 0.000 0.257 402 G C 0.120 174.306 174.900 -1.190 0.000 0.998 402 G CA 0.265 44.490 45.100 -1.459 0.000 0.620 402 G HN 0.766 nan 8.290 nan 0.000 0.529 403 H N -0.369 118.378 119.070 -0.538 0.000 3.016 403 H HA 0.689 5.246 4.556 0.001 0.000 0.362 403 H C -0.014 175.141 175.328 -0.289 0.000 1.233 403 H CA -0.034 55.645 56.048 -0.615 0.000 1.124 403 H CB 1.760 31.126 29.762 -0.661 0.000 1.850 403 H HN 0.668 nan 8.280 nan 0.000 0.549 404 A N 1.706 124.409 122.820 -0.195 0.000 2.320 404 A HA 0.718 5.039 4.320 0.001 0.000 0.334 404 A C -1.050 176.468 177.584 -0.110 0.000 1.147 404 A CA -0.541 51.429 52.037 -0.111 0.000 0.820 404 A CB 0.448 19.470 19.000 0.036 0.000 1.218 404 A HN 0.458 nan 8.150 nan 0.000 0.482 405 F N -0.704 119.292 119.950 0.076 0.000 2.603 405 F HA 0.761 5.289 4.527 0.001 0.000 0.317 405 F C 0.077 175.940 175.800 0.106 0.000 1.066 405 F CA -1.118 56.945 58.000 0.104 0.000 0.941 405 F CB 1.221 40.300 39.000 0.131 0.000 1.291 405 F HN 0.292 nan 8.300 nan 0.000 0.472 406 S N 0.788 116.685 115.700 0.327 0.000 2.537 406 S HA 0.503 4.974 4.470 0.001 0.000 0.275 406 S C -0.430 174.347 174.600 0.294 0.000 1.272 406 S CA -0.729 57.605 58.200 0.223 0.000 1.050 406 S CB 1.403 64.699 63.200 0.160 0.000 0.961 406 S HN 0.496 nan 8.310 nan 0.000 0.496 407 V N 4.790 124.838 119.914 0.224 0.000 2.284 407 V HA 0.076 4.197 4.120 0.001 0.000 0.260 407 V C 1.303 177.423 176.094 0.043 0.000 1.084 407 V CA -0.347 62.063 62.300 0.183 0.000 0.894 407 V CB 0.232 32.169 31.823 0.189 0.000 1.119 407 V HN 0.887 nan 8.190 nan 0.000 0.484 408 V N 2.100 122.008 119.914 -0.010 0.000 2.759 408 V HA 0.120 4.241 4.120 0.001 0.000 0.256 408 V C 0.961 176.935 176.094 -0.201 0.000 1.080 408 V CA 1.054 63.246 62.300 -0.179 0.000 1.101 408 V CB -0.484 31.137 31.823 -0.336 0.000 0.698 408 V HN 0.752 nan 8.190 nan 0.000 0.477 409 R N -0.077 120.332 120.500 -0.153 0.000 2.512 409 R HA 0.527 4.868 4.340 0.001 0.000 0.291 409 R C -0.873 175.342 176.300 -0.143 0.000 1.097 409 R CA -0.088 55.845 56.100 -0.278 0.000 0.940 409 R CB 1.927 31.880 30.300 -0.578 0.000 1.198 409 R HN 0.325 nan 8.270 nan 0.000 0.429 410 S N 1.718 117.348 115.700 -0.116 0.000 2.693 410 S HA 0.609 5.079 4.470 0.001 0.000 0.276 410 S C -0.250 174.315 174.600 -0.058 0.000 1.192 410 S CA -0.370 57.799 58.200 -0.051 0.000 0.994 410 S CB 1.463 64.646 63.200 -0.028 0.000 1.012 410 S HN 0.725 nan 8.310 nan 0.000 0.550 411 A N 0.331 123.135 122.820 -0.027 0.000 2.477 411 A HA 0.506 4.827 4.320 0.001 0.000 0.246 411 A C 1.373 178.950 177.584 -0.012 0.000 1.078 411 A CA 0.307 52.330 52.037 -0.023 0.000 0.770 411 A CB -1.035 17.954 19.000 -0.018 0.000 1.011 411 A HN 1.744 nan 8.150 nan 0.000 0.494 412 G N 0.551 109.343 108.800 -0.014 0.000 2.162 412 G HA2 -0.138 3.823 3.960 0.001 0.000 0.260 412 G HA3 -0.138 3.823 3.960 0.001 0.000 0.260 412 G C 0.387 175.274 174.900 -0.022 0.000 0.976 412 G CA 0.753 45.850 45.100 -0.006 0.000 0.655 412 G HN 1.822 nan 8.290 nan 0.000 0.533 413 S N -0.636 115.034 115.700 -0.051 0.000 2.513 413 S HA 0.707 5.177 4.470 0.001 0.000 0.299 413 S C 0.921 175.456 174.600 -0.110 0.000 1.087 413 S CA 0.685 58.843 58.200 -0.071 0.000 1.012 413 S CB 1.726 64.873 63.200 -0.088 0.000 1.044 413 S HN 1.351 nan 8.310 nan 0.000 0.485 414 S N 2.017 117.662 115.700 -0.091 0.000 2.602 414 S HA 0.250 4.720 4.470 0.001 0.000 0.240 414 S C 0.453 174.978 174.600 -0.125 0.000 0.992 414 S CA -0.083 58.056 58.200 -0.103 0.000 0.971 414 S CB -0.098 63.085 63.200 -0.027 0.000 0.855 414 S HN 0.807 nan 8.310 nan 0.000 0.481 415 T N 0.254 114.711 114.554 -0.162 0.000 2.940 415 T HA 0.674 5.024 4.350 0.001 0.000 0.288 415 T C -1.371 173.180 174.700 -0.249 0.000 1.033 415 T CA -0.570 61.478 62.100 -0.086 0.000 1.033 415 T CB 0.923 69.787 68.868 -0.006 0.000 1.079 415 T HN 0.221 nan 8.240 nan 0.000 0.496 416 Y N 2.351 122.624 120.300 -0.046 0.000 2.377 416 Y HA 0.571 5.122 4.550 0.001 0.000 0.339 416 Y C 0.443 176.201 175.900 -0.237 0.000 1.011 416 Y CA -0.947 57.040 58.100 -0.188 0.000 1.093 416 Y CB 1.693 40.048 38.460 -0.175 0.000 1.201 416 Y HN 0.700 nan 8.280 nan 0.000 0.455 417 N N 2.554 121.108 118.700 -0.243 0.000 2.491 417 N HA 0.247 4.988 4.740 0.001 0.000 0.274 417 N C -1.121 174.221 175.510 -0.281 0.000 1.023 417 N CA -0.565 52.405 53.050 -0.133 0.000 0.902 417 N CB 0.336 38.822 38.487 -0.002 0.000 1.267 417 N HN 0.477 nan 8.380 nan 0.000 0.503 418 F N 1.805 121.820 119.950 0.107 0.000 2.721 418 F HA 0.225 4.753 4.527 0.001 0.000 0.301 418 F C 1.819 177.657 175.800 0.062 0.000 1.096 418 F CA -0.116 57.932 58.000 0.080 0.000 1.308 418 F CB 0.471 39.502 39.000 0.051 0.000 1.086 418 F HN 0.332 nan 8.300 nan 0.000 0.587 419 V N -0.327 119.705 119.914 0.196 0.000 2.446 419 V HA -0.099 4.022 4.120 0.001 0.000 0.244 419 V C 1.197 177.348 176.094 0.094 0.000 1.039 419 V CA 1.671 64.047 62.300 0.127 0.000 1.045 419 V CB -0.224 31.649 31.823 0.084 0.000 0.681 419 V HN 0.393 nan 8.190 nan 0.000 0.459 420 N N -0.956 117.802 118.700 0.096 0.000 2.307 420 N HA 0.149 4.890 4.740 0.001 0.000 0.248 420 N C -2.738 172.891 175.510 0.198 0.000 1.322 420 N CA -0.739 52.379 53.050 0.114 0.000 0.861 420 N CB 1.316 39.817 38.487 0.024 0.000 1.303 420 N HN 0.348 nan 8.380 nan 0.000 0.498 421 P HA -0.015 nan 4.420 nan 0.000 0.271 421 P C 0.357 177.714 177.300 0.095 0.000 1.218 421 P CA 0.166 63.330 63.100 0.106 0.000 0.780 421 P CB 1.548 33.274 31.700 0.043 0.000 0.901 422 V N 3.116 123.062 119.914 0.053 0.000 3.032 422 V HA -0.021 4.100 4.120 0.001 0.000 0.307 422 V C 0.514 176.640 176.094 0.053 0.000 1.097 422 V CA 0.533 62.861 62.300 0.047 0.000 1.191 422 V CB -0.264 31.573 31.823 0.023 0.000 0.964 422 V HN 0.475 nan 8.190 nan 0.000 0.494 423 K N 6.248 126.667 120.400 0.032 0.000 2.292 423 K HA 0.636 4.956 4.320 0.001 0.000 0.257 423 K C -0.502 176.039 176.600 -0.098 0.000 0.940 423 K CA -0.714 55.564 56.287 -0.015 0.000 0.811 423 K CB 1.904 34.413 32.500 0.014 0.000 1.120 423 K HN 0.853 nan 8.250 nan 0.000 0.428 424 R N 0.002 120.316 120.500 -0.309 0.000 2.909 424 R HA 0.337 4.677 4.340 0.001 0.000 0.262 424 R C -0.882 174.979 176.300 -0.730 0.000 1.095 424 R CA -0.692 55.208 56.100 -0.335 0.000 0.965 424 R CB 0.417 30.616 30.300 -0.168 0.000 1.300 424 R HN 0.535 nan 8.270 nan 0.000 0.442 425 D N -0.986 119.222 120.400 -0.320 0.000 2.525 425 D HA 0.180 4.820 4.640 0.001 0.000 0.231 425 D C -0.590 175.933 176.300 0.371 0.000 1.216 425 D CA -0.107 53.825 54.000 -0.113 0.000 0.813 425 D CB 0.957 41.858 40.800 0.170 0.000 1.108 425 D HN 0.162 nan 8.370 nan 0.000 0.524 426 V N 1.074 121.198 119.914 0.350 0.000 2.524 426 V HA 0.561 4.682 4.120 0.001 0.000 0.297 426 V C -0.970 175.339 176.094 0.359 0.000 1.035 426 V CA -1.034 61.522 62.300 0.427 0.000 0.867 426 V CB 2.061 34.054 31.823 0.282 0.000 1.004 426 V HN 0.074 nan 8.190 nan 0.000 0.426 427 V N 4.104 124.262 119.914 0.407 0.000 2.656 427 V HA 0.657 4.777 4.120 0.001 0.000 0.307 427 V C 0.181 176.315 176.094 0.067 0.000 1.051 427 V CA -0.164 62.289 62.300 0.256 0.000 0.893 427 V CB 2.508 34.557 31.823 0.377 0.000 0.999 427 V HN 0.946 nan 8.190 nan 0.000 0.426 428 S N 5.362 120.968 115.700 -0.158 0.000 2.528 428 S HA 0.338 4.809 4.470 0.001 0.000 0.277 428 S C 0.857 175.370 174.600 -0.145 0.000 1.297 428 S CA -0.421 57.551 58.200 -0.381 0.000 1.052 428 S CB 0.594 63.193 63.200 -1.002 0.000 0.917 428 S HN 0.699 nan 8.310 nan 0.000 0.492 429 L N 4.804 125.984 121.223 -0.072 0.000 2.554 429 L HA 0.265 4.606 4.340 0.001 0.000 0.226 429 L C 1.668 178.522 176.870 -0.027 0.000 1.137 429 L CA 0.380 55.203 54.840 -0.029 0.000 0.863 429 L CB -1.435 40.619 42.059 -0.008 0.000 0.985 429 L HN 1.061 nan 8.230 nan 0.000 0.451 430 G N 0.524 109.291 108.800 -0.055 0.000 2.512 430 G HA2 -0.235 3.726 3.960 0.001 0.000 0.240 430 G HA3 -0.235 3.726 3.960 0.001 0.000 0.240 430 G C -0.290 174.618 174.900 0.014 0.000 1.246 430 G CA -0.141 44.946 45.100 -0.021 0.000 0.919 430 G HN 0.271 nan 8.290 nan 0.000 0.577 431 V N -3.637 116.289 119.914 0.021 0.000 3.164 431 V HA 0.890 5.011 4.120 0.001 0.000 0.313 431 V C 0.809 176.921 176.094 0.030 0.000 1.188 431 V CA 0.173 62.491 62.300 0.031 0.000 1.058 431 V CB 1.167 33.007 31.823 0.028 0.000 1.110 431 V HN 1.586 nan 8.190 nan 0.000 0.453 432 T N 1.900 116.474 114.554 0.033 0.000 2.849 432 T HA 0.420 4.771 4.350 0.001 0.000 0.289 432 T C 1.239 175.952 174.700 0.022 0.000 1.010 432 T CA 1.654 63.772 62.100 0.031 0.000 1.161 432 T CB -0.079 68.807 68.868 0.031 0.000 0.989 432 T HN 2.101 nan 8.240 nan 0.000 0.523 433 G N 3.521 112.333 108.800 0.020 0.000 2.279 433 G HA2 -0.193 3.768 3.960 0.001 0.000 0.223 433 G HA3 -0.193 3.768 3.960 0.001 0.000 0.223 433 G C -0.074 174.830 174.900 0.006 0.000 1.015 433 G CA -0.290 44.818 45.100 0.014 0.000 0.621 433 G HN 0.664 nan 8.290 nan 0.000 0.506 434 D N 0.897 121.299 120.400 0.003 0.000 2.362 434 D HA 0.485 5.125 4.640 0.001 0.000 0.242 434 D C 0.475 176.768 176.300 -0.013 0.000 1.132 434 D CA 0.401 54.394 54.000 -0.012 0.000 0.907 434 D CB 1.347 42.140 40.800 -0.012 0.000 1.195 434 D HN 0.483 nan 8.370 nan 0.000 0.429 435 E N 1.250 121.431 120.200 -0.031 0.000 3.626 435 E HA 0.200 4.551 4.350 0.001 0.000 0.245 435 E C -1.224 175.354 176.600 -0.037 0.000 1.236 435 E CA -0.381 56.008 56.400 -0.018 0.000 1.072 435 E CB 0.525 30.230 29.700 0.007 0.000 1.309 435 E HN 0.067 nan 8.360 nan 0.000 0.400 436 V N 2.361 122.252 119.914 -0.037 0.000 2.509 436 V HA 0.045 4.166 4.120 0.001 0.000 0.297 436 V C 0.180 176.266 176.094 -0.013 0.000 1.014 436 V CA 0.854 63.133 62.300 -0.035 0.000 1.127 436 V CB 0.962 32.770 31.823 -0.025 0.000 0.925 436 V HN 0.505 nan 8.190 nan 0.000 0.480 437 T N 7.088 121.640 114.554 -0.003 0.000 2.840 437 T HA 0.663 5.014 4.350 0.001 0.000 0.287 437 T C -0.284 174.440 174.700 0.041 0.000 0.991 437 T CA -0.280 61.844 62.100 0.041 0.000 0.964 437 T CB 1.131 70.084 68.868 0.141 0.000 0.954 437 T HN 0.630 nan 8.240 nan 0.000 0.438 438 I N 0.026 120.607 120.570 0.018 0.000 2.846 438 I HA 0.815 4.985 4.170 0.001 0.000 0.307 438 I C -0.729 175.435 176.117 0.078 0.000 1.053 438 I CA -1.313 60.015 61.300 0.048 0.000 1.050 438 I CB 2.200 40.087 38.000 -0.188 0.000 1.239 438 I HN 0.328 nan 8.210 nan 0.000 0.439 439 R N 3.316 123.918 120.500 0.170 0.000 2.744 439 R HA 0.744 5.085 4.340 0.001 0.000 0.279 439 R C -1.671 174.756 176.300 0.211 0.000 0.977 439 R CA -0.631 55.524 56.100 0.092 0.000 0.906 439 R CB 2.614 32.962 30.300 0.080 0.000 1.197 439 R HN 0.769 nan 8.270 nan 0.000 0.463 440 F N -1.711 118.198 119.950 -0.069 0.000 2.711 440 F HA 0.621 5.149 4.527 0.001 0.000 0.313 440 F C -1.517 174.192 175.800 -0.153 0.000 1.141 440 F CA -1.211 56.725 58.000 -0.106 0.000 0.941 440 F CB 0.834 39.721 39.000 -0.189 0.000 1.349 440 F HN 0.085 nan 8.300 nan 0.000 0.464 441 V N 0.870 120.805 119.914 0.035 0.000 2.483 441 V HA 0.443 4.564 4.120 0.001 0.000 0.295 441 V C 0.084 176.231 176.094 0.089 0.000 1.035 441 V CA -0.446 61.829 62.300 -0.041 0.000 0.896 441 V CB 1.786 33.610 31.823 0.001 0.000 0.986 441 V HN 0.943 nan 8.190 nan 0.000 0.447 442 T N -0.299 114.260 114.554 0.007 0.000 3.781 442 T HA 0.163 4.514 4.350 0.001 0.000 0.286 442 T C 0.170 174.971 174.700 0.168 0.000 1.277 442 T CA -0.459 61.726 62.100 0.142 0.000 1.136 442 T CB -0.564 68.335 68.868 0.050 0.000 1.202 442 T HN 0.806 nan 8.240 nan 0.000 0.884 443 D N 0.727 121.257 120.400 0.215 0.000 2.501 443 D HA 0.114 4.755 4.640 0.001 0.000 0.226 443 D C 0.016 176.379 176.300 0.104 0.000 1.198 443 D CA -0.635 53.436 54.000 0.118 0.000 0.830 443 D CB 0.001 40.836 40.800 0.059 0.000 1.014 443 D HN 0.417 nan 8.370 nan 0.000 0.496 444 N N 1.095 119.901 118.700 0.177 0.000 2.685 444 N HA 0.253 4.993 4.740 0.001 0.000 0.252 444 N C -3.030 172.737 175.510 0.430 0.000 1.261 444 N CA -1.603 51.554 53.050 0.178 0.000 0.768 444 N CB 1.514 39.893 38.487 -0.179 0.000 1.304 444 N HN -0.208 nan 8.380 nan 0.000 0.536 445 P HA 0.280 nan 4.420 nan 0.000 0.260 445 P C 0.079 177.494 177.300 0.191 0.000 1.185 445 P CA 0.649 63.888 63.100 0.231 0.000 0.763 445 P CB 0.382 32.162 31.700 0.134 0.000 0.776 446 G N 3.964 112.809 108.800 0.075 0.000 2.345 446 G HA2 0.193 4.153 3.960 0.001 0.000 0.310 446 G HA3 0.193 4.153 3.960 0.001 0.000 0.310 446 G C -3.497 171.067 174.900 -0.560 0.000 1.476 446 G CA -0.931 43.983 45.100 -0.309 0.000 0.978 446 G HN 0.232 nan 8.290 nan 0.000 0.656 447 P HA 0.465 nan 4.420 nan 0.000 0.287 447 P C -1.166 175.760 177.300 -0.623 0.000 1.294 447 P CA -0.069 62.788 63.100 -0.404 0.000 0.776 447 P CB 0.279 31.831 31.700 -0.247 0.000 0.889 448 W N 3.209 124.590 121.300 0.135 0.000 2.785 448 W HA 0.392 5.053 4.660 0.001 0.000 0.333 448 W C -0.213 176.393 176.519 0.144 0.000 1.062 448 W CA -0.855 56.571 57.345 0.135 0.000 1.233 448 W CB 1.226 30.838 29.460 0.254 0.000 1.413 448 W HN 0.217 nan 8.180 nan 0.000 0.489 449 F N 3.215 123.166 119.950 0.002 0.000 2.471 449 F HA 0.282 4.810 4.527 0.001 0.000 0.353 449 F C -0.313 175.586 175.800 0.164 0.000 1.113 449 F CA -1.208 56.712 58.000 -0.134 0.000 1.262 449 F CB 0.305 38.957 39.000 -0.579 0.000 1.146 449 F HN 0.093 nan 8.300 nan 0.000 0.578 450 F N 5.868 125.932 119.950 0.190 0.000 2.577 450 F HA 0.417 4.945 4.527 0.001 0.000 0.344 450 F C -1.040 174.718 175.800 -0.070 0.000 1.145 450 F CA -0.615 57.423 58.000 0.064 0.000 0.996 450 F CB 0.267 39.320 39.000 0.088 0.000 1.248 450 F HN 0.650 nan 8.300 nan 0.000 0.447 451 H N 1.794 120.444 119.070 -0.700 0.000 3.003 451 H HA 0.408 4.965 4.556 0.001 0.000 0.327 451 H C -1.323 173.171 175.328 -1.390 0.000 1.353 451 H CA -1.398 54.004 56.048 -1.076 0.000 1.142 451 H CB 0.647 29.808 29.762 -1.003 0.000 1.864 451 H HN 0.618 nan 8.280 nan 0.000 0.529 452 C N 1.992 120.360 119.300 -1.554 0.000 2.653 452 C HA 0.060 4.521 4.460 0.001 0.000 0.421 452 C C 1.382 176.159 174.990 -0.355 0.000 1.334 452 C CA 0.097 58.475 59.018 -1.068 0.000 1.885 452 C CB -0.795 26.592 27.740 -0.588 0.000 2.645 452 C HN 1.003 nan 8.230 nan 0.000 0.601 453 H N 3.779 122.689 119.070 -0.268 0.000 2.539 453 H HA 0.301 4.857 4.556 0.001 0.000 0.269 453 H C 0.526 175.803 175.328 -0.085 0.000 0.980 453 H CA 0.266 56.255 56.048 -0.098 0.000 1.152 453 H CB 0.037 29.755 29.762 -0.074 0.000 1.407 453 H HN 0.669 nan 8.280 nan 0.000 0.564 454 I N 2.125 122.660 120.570 -0.059 0.000 2.483 454 I HA -0.089 4.082 4.170 0.001 0.000 0.291 454 I C 1.620 177.554 176.117 -0.305 0.000 1.112 454 I CA 0.089 61.248 61.300 -0.236 0.000 1.350 454 I CB 1.018 38.676 38.000 -0.570 0.000 1.419 454 I HN 0.061 nan 8.210 nan 0.000 0.523 455 E N 4.784 124.751 120.200 -0.389 0.000 2.160 455 E HA -0.219 4.131 4.350 0.001 0.000 0.195 455 E C 1.499 177.780 176.600 -0.531 0.000 0.991 455 E CA 1.947 58.036 56.400 -0.518 0.000 0.810 455 E CB -0.018 29.239 29.700 -0.737 0.000 0.742 455 E HN 0.604 nan 8.360 nan 0.000 0.466 456 F N -0.894 118.974 119.950 -0.137 0.000 2.451 456 F HA -0.045 4.483 4.527 0.001 0.000 0.299 456 F C 1.945 177.862 175.800 0.194 0.000 1.101 456 F CA 1.238 59.231 58.000 -0.010 0.000 1.436 456 F CB -0.454 38.539 39.000 -0.011 0.000 1.074 456 F HN 0.255 nan 8.300 nan 0.000 0.553 457 H N -1.206 117.928 119.070 0.106 0.000 2.399 457 H HA 0.029 4.586 4.556 0.001 0.000 0.300 457 H C 2.362 177.684 175.328 -0.010 0.000 1.048 457 H CA 0.343 56.426 56.048 0.059 0.000 1.370 457 H CB 0.009 29.612 29.762 -0.266 0.000 1.428 457 H HN 0.149 nan 8.280 nan 0.000 0.534 458 L N 1.662 122.878 121.223 -0.012 0.000 1.990 458 L HA -0.240 4.101 4.340 0.001 0.000 0.213 458 L C 2.575 179.439 176.870 -0.010 0.000 1.072 458 L CA 1.875 56.636 54.840 -0.131 0.000 0.755 458 L CB -0.287 41.599 42.059 -0.289 0.000 0.889 458 L HN 0.427 nan 8.230 nan 0.000 0.432 459 M N -1.728 117.876 119.600 0.007 0.000 2.358 459 M HA -0.189 4.292 4.480 0.001 0.000 0.264 459 M C 0.485 176.868 176.300 0.138 0.000 1.064 459 M CA 1.867 57.199 55.300 0.053 0.000 1.093 459 M CB -0.680 31.925 32.600 0.008 0.000 1.401 459 M HN 0.186 nan 8.290 nan 0.000 0.440 460 N N 0.660 119.500 118.700 0.232 0.000 2.320 460 N HA 0.359 5.100 4.740 0.001 0.000 0.237 460 N C 0.442 176.141 175.510 0.314 0.000 1.129 460 N CA 0.604 53.820 53.050 0.276 0.000 0.854 460 N CB 0.894 39.597 38.487 0.360 0.000 1.083 460 N HN 0.667 nan 8.380 nan 0.000 0.504 461 G N 0.161 109.116 108.800 0.258 0.000 2.176 461 G HA2 -0.235 3.725 3.960 0.001 0.000 0.232 461 G HA3 -0.235 3.725 3.960 0.001 0.000 0.232 461 G C -0.101 174.934 174.900 0.226 0.000 0.986 461 G CA -0.508 44.747 45.100 0.259 0.000 0.643 461 G HN 0.262 nan 8.290 nan 0.000 0.522 462 L N 1.555 122.852 121.223 0.123 0.000 2.423 462 L HA 0.772 5.113 4.340 0.001 0.000 0.249 462 L C 0.520 177.284 176.870 -0.178 0.000 1.276 462 L CA 0.327 55.148 54.840 -0.030 0.000 1.199 462 L CB -0.529 41.371 42.059 -0.265 0.000 1.407 462 L HN 1.051 nan 8.230 nan 0.000 0.410 463 A N 4.298 127.054 122.820 -0.107 0.000 2.604 463 A HA 0.818 5.139 4.320 0.001 0.000 0.295 463 A C -1.108 176.424 177.584 -0.086 0.000 1.067 463 A CA -0.567 51.301 52.037 -0.282 0.000 0.683 463 A CB 1.255 19.816 19.000 -0.731 0.000 1.281 463 A HN 0.480 nan 8.150 nan 0.000 0.407 464 I N -1.682 118.849 120.570 -0.065 0.000 3.095 464 I HA 0.893 5.063 4.170 0.001 0.000 0.310 464 I C -1.242 174.912 176.117 0.061 0.000 1.196 464 I CA -1.360 59.956 61.300 0.025 0.000 0.985 464 I CB 2.213 40.160 38.000 -0.088 0.000 1.250 464 I HN 0.312 nan 8.210 nan 0.000 0.446 465 V N 2.722 122.668 119.914 0.053 0.000 2.540 465 V HA 0.463 4.584 4.120 0.001 0.000 0.302 465 V C -0.983 175.136 176.094 0.042 0.000 1.035 465 V CA -0.293 62.038 62.300 0.052 0.000 0.873 465 V CB 1.506 33.353 31.823 0.040 0.000 0.992 465 V HN 0.463 nan 8.190 nan 0.000 0.428 466 F N 2.828 122.947 119.950 0.281 0.000 2.404 466 F HA 0.657 5.184 4.527 0.001 0.000 0.354 466 F C 0.699 176.623 175.800 0.207 0.000 1.122 466 F CA -0.791 57.384 58.000 0.292 0.000 1.080 466 F CB 1.571 40.770 39.000 0.332 0.000 1.131 466 F HN 0.539 nan 8.300 nan 0.000 0.471 467 A N 3.777 126.812 122.820 0.360 0.000 2.650 467 A HA 0.293 4.614 4.320 0.001 0.000 0.320 467 A C 0.122 177.842 177.584 0.228 0.000 1.466 467 A CA -0.476 51.677 52.037 0.194 0.000 1.099 467 A CB -0.401 18.674 19.000 0.125 0.000 1.136 467 A HN 0.759 nan 8.150 nan 0.000 0.532 468 E N 2.620 122.976 120.200 0.261 0.000 2.229 468 E HA 0.235 4.586 4.350 0.001 0.000 0.283 468 E C -0.607 176.111 176.600 0.197 0.000 1.030 468 E CA -0.372 56.198 56.400 0.282 0.000 0.836 468 E CB 0.425 30.408 29.700 0.472 0.000 1.068 468 E HN 0.605 nan 8.360 nan 0.000 0.401 469 D N 4.369 124.859 120.400 0.150 0.000 2.812 469 D HA -0.227 4.414 4.640 0.001 0.000 0.237 469 D C 0.486 176.838 176.300 0.088 0.000 1.162 469 D CA 0.760 54.827 54.000 0.112 0.000 0.740 469 D CB -0.641 40.233 40.800 0.123 0.000 1.000 469 D HN 0.709 nan 8.370 nan 0.000 0.416 470 M N 0.282 119.926 119.600 0.075 0.000 2.175 470 M HA -0.142 4.338 4.480 0.001 0.000 0.264 470 M C 2.376 178.701 176.300 0.042 0.000 1.063 470 M CA 1.804 57.136 55.300 0.053 0.000 1.119 470 M CB -0.103 32.526 32.600 0.049 0.000 1.377 470 M HN 0.394 nan 8.290 nan 0.000 0.415 471 A N 0.513 123.359 122.820 0.043 0.000 1.978 471 A HA -0.166 4.154 4.320 0.001 0.000 0.220 471 A C 1.494 179.099 177.584 0.035 0.000 1.170 471 A CA 1.985 54.044 52.037 0.035 0.000 0.636 471 A CB -0.774 18.246 19.000 0.034 0.000 0.810 471 A HN 0.581 nan 8.150 nan 0.000 0.448 472 N N -1.690 117.036 118.700 0.044 0.000 2.203 472 N HA 0.091 4.832 4.740 0.001 0.000 0.207 472 N C 1.035 176.570 175.510 0.043 0.000 1.130 472 N CA 0.544 53.620 53.050 0.044 0.000 0.861 472 N CB 0.361 38.880 38.487 0.053 0.000 1.005 472 N HN 0.296 nan 8.380 nan 0.000 0.507 473 T N -0.492 114.083 114.554 0.036 0.000 2.821 473 T HA -0.057 4.294 4.350 0.001 0.000 0.267 473 T C 1.986 176.689 174.700 0.006 0.000 1.046 473 T CA 0.880 62.992 62.100 0.020 0.000 1.139 473 T CB -0.051 68.817 68.868 -0.000 0.000 0.871 473 T HN -0.008 nan 8.240 nan 0.000 0.454 474 V N 1.758 121.676 119.914 0.007 0.000 2.358 474 V HA -0.152 3.969 4.120 0.001 0.000 0.246 474 V C 2.370 178.468 176.094 0.006 0.000 1.047 474 V CA 2.001 64.301 62.300 -0.000 0.000 1.035 474 V CB -0.554 31.272 31.823 0.005 0.000 0.658 474 V HN 0.501 nan 8.190 nan 0.000 0.452 475 D N 0.438 120.849 120.400 0.017 0.000 2.117 475 D HA -0.137 4.504 4.640 0.001 0.000 0.197 475 D C 2.056 178.375 176.300 0.032 0.000 0.987 475 D CA 1.541 55.555 54.000 0.022 0.000 0.829 475 D CB -0.136 40.680 40.800 0.026 0.000 0.961 475 D HN 0.358 nan 8.370 nan 0.000 0.460 476 A N -0.749 122.096 122.820 0.042 0.000 2.014 476 A HA 0.011 4.331 4.320 0.001 0.000 0.218 476 A C 0.528 178.155 177.584 0.072 0.000 1.163 476 A CA 0.687 52.760 52.037 0.060 0.000 0.652 476 A CB -0.340 18.704 19.000 0.075 0.000 0.808 476 A HN 0.335 nan 8.150 nan 0.000 0.449 477 N N 0.675 119.409 118.700 0.056 0.000 2.372 477 N HA 0.479 5.219 4.740 0.001 0.000 0.285 477 N C -1.580 173.950 175.510 0.034 0.000 1.008 477 N CA -0.534 52.570 53.050 0.091 0.000 0.880 477 N CB 1.211 39.730 38.487 0.053 0.000 1.239 477 N HN 0.419 nan 8.380 nan 0.000 0.484 478 N N 0.637 119.365 118.700 0.047 0.000 2.617 478 N HA 0.375 5.116 4.740 0.001 0.000 0.263 478 N C -3.074 172.230 175.510 -0.344 0.000 1.074 478 N CA -1.521 51.463 53.050 -0.110 0.000 0.841 478 N CB 1.138 39.592 38.487 -0.056 0.000 1.221 478 N HN 0.242 nan 8.380 nan 0.000 0.529 479 P HA 0.244 nan 4.420 nan 0.000 0.271 479 P C -2.235 174.637 177.300 -0.714 0.000 1.218 479 P CA -0.776 61.516 63.100 -1.347 0.000 0.780 479 P CB 0.024 31.005 31.700 -1.198 0.000 0.901 480 P HA -0.007 nan 4.420 nan 0.000 0.273 480 P C 0.885 178.120 177.300 -0.108 0.000 1.250 480 P CA -0.219 62.680 63.100 -0.335 0.000 0.793 480 P CB 0.787 32.295 31.700 -0.320 0.000 1.011 481 V N 0.712 120.602 119.914 -0.040 0.000 2.626 481 V HA -0.201 3.920 4.120 0.001 0.000 0.252 481 V C 2.090 178.222 176.094 0.063 0.000 1.067 481 V CA 1.946 64.257 62.300 0.019 0.000 1.081 481 V CB -1.108 30.717 31.823 0.003 0.000 0.686 481 V HN 0.464 nan 8.190 nan 0.000 0.468 482 E N -0.722 119.534 120.200 0.092 0.000 2.204 482 E HA -0.264 4.086 4.350 0.001 0.000 0.195 482 E C 1.558 178.307 176.600 0.248 0.000 0.990 482 E CA 1.657 58.161 56.400 0.174 0.000 0.821 482 E CB -0.409 29.430 29.700 0.232 0.000 0.750 482 E HN 0.890 nan 8.360 nan 0.000 0.477 483 W N 1.260 122.621 121.300 0.102 0.000 2.355 483 W HA -0.189 4.472 4.660 0.001 0.000 0.309 483 W C 2.223 178.670 176.519 -0.120 0.000 1.206 483 W CA 2.174 59.509 57.345 -0.017 0.000 1.284 483 W CB -0.417 29.012 29.460 -0.052 0.000 1.145 483 W HN 0.038 nan 8.180 nan 0.000 0.502 484 A N 0.033 122.795 122.820 -0.097 0.000 2.015 484 A HA -0.193 4.128 4.320 0.001 0.000 0.219 484 A C 1.863 179.256 177.584 -0.319 0.000 1.163 484 A CA 1.600 53.411 52.037 -0.377 0.000 0.646 484 A CB -0.711 18.250 19.000 -0.066 0.000 0.806 484 A HN 0.578 nan 8.150 nan 0.000 0.448 485 Q N -0.777 118.909 119.800 -0.189 0.000 2.291 485 Q HA -0.088 4.253 4.340 0.001 0.000 0.205 485 Q C 1.608 177.480 176.000 -0.214 0.000 0.970 485 Q CA 0.612 56.323 55.803 -0.154 0.000 0.876 485 Q CB -0.260 28.437 28.738 -0.068 0.000 0.935 485 Q HN 0.470 nan 8.270 nan 0.000 0.455 486 L N 0.226 121.258 121.223 -0.319 0.000 2.013 486 L HA -0.247 4.094 4.340 0.001 0.000 0.212 486 L C 2.315 179.015 176.870 -0.284 0.000 1.073 486 L CA 1.576 56.201 54.840 -0.357 0.000 0.753 486 L CB -1.167 40.558 42.059 -0.556 0.000 0.890 486 L HN 0.353 nan 8.230 nan 0.000 0.432 487 c N -0.424 117.981 118.600 -0.324 0.000 2.425 487 c HA -0.166 4.405 4.570 0.001 0.000 0.277 487 c C 2.710 176.735 174.090 -0.110 0.000 1.280 487 c CA 0.859 57.065 56.329 -0.205 0.000 1.744 487 c CB -0.982 41.370 42.510 -0.263 0.000 1.989 487 c HN 0.718 nan 8.230 nan 0.000 0.491 488 E N 1.488 121.606 120.200 -0.137 0.000 2.047 488 E HA -0.153 4.197 4.350 0.001 0.000 0.191 488 E C 1.809 178.355 176.600 -0.090 0.000 0.987 488 E CA 1.486 57.827 56.400 -0.098 0.000 0.799 488 E CB -0.530 29.114 29.700 -0.093 0.000 0.752 488 E HN 0.586 nan 8.360 nan 0.000 0.449 489 I N 0.006 120.503 120.570 -0.121 0.000 2.208 489 I HA -0.265 3.905 4.170 0.001 0.000 0.245 489 I C 2.510 178.571 176.117 -0.094 0.000 1.097 489 I CA 1.568 62.775 61.300 -0.155 0.000 1.363 489 I CB -0.439 37.370 38.000 -0.319 0.000 1.051 489 I HN 0.195 nan 8.210 nan 0.000 0.413 490 Y N 1.886 122.066 120.300 -0.198 0.000 2.200 490 Y HA -0.236 4.314 4.550 0.001 0.000 0.290 490 Y C 2.154 177.990 175.900 -0.107 0.000 1.137 490 Y CA 1.541 59.547 58.100 -0.157 0.000 1.163 490 Y CB -0.295 38.061 38.460 -0.174 0.000 0.988 490 Y HN 0.176 nan 8.280 nan 0.000 0.518 491 D N -0.210 120.141 120.400 -0.082 0.000 2.264 491 D HA -0.131 4.510 4.640 0.001 0.000 0.208 491 D C 1.121 177.330 176.300 -0.151 0.000 0.966 491 D CA 1.305 55.217 54.000 -0.147 0.000 0.864 491 D CB -0.196 40.565 40.800 -0.065 0.000 0.933 491 D HN 0.415 nan 8.370 nan 0.000 0.499 492 D N -0.331 119.998 120.400 -0.120 0.000 2.340 492 D HA 0.014 4.655 4.640 0.001 0.000 0.220 492 D C 0.312 176.558 176.300 -0.091 0.000 1.039 492 D CA -0.180 53.766 54.000 -0.090 0.000 0.866 492 D CB 0.171 40.933 40.800 -0.063 0.000 0.913 492 D HN 0.024 nan 8.370 nan 0.000 0.523 493 L N 2.196 123.337 121.223 -0.136 0.000 2.485 493 L HA 0.159 4.500 4.340 0.001 0.000 0.275 493 L C -1.714 175.104 176.870 -0.088 0.000 1.207 493 L CA -1.265 53.511 54.840 -0.106 0.000 0.855 493 L CB -0.325 41.631 42.059 -0.171 0.000 1.114 493 L HN -0.014 nan 8.230 nan 0.000 0.485 494 P HA 0.268 nan 4.420 nan 0.000 0.278 494 P C -2.292 174.987 177.300 -0.035 0.000 1.238 494 P CA -1.589 61.490 63.100 -0.035 0.000 0.794 494 P CB 0.234 31.927 31.700 -0.013 0.000 0.955 495 P HA -0.202 nan 4.420 nan 0.000 0.217 495 P C 1.355 178.652 177.300 -0.007 0.000 1.148 495 P CA 1.491 64.576 63.100 -0.023 0.000 0.828 495 P CB 0.024 31.713 31.700 -0.019 0.000 0.783 496 E N 0.103 120.303 120.200 -0.000 0.000 2.268 496 E HA -0.112 4.238 4.350 0.001 0.000 0.195 496 E C 1.839 178.451 176.600 0.020 0.000 0.995 496 E CA 1.168 57.574 56.400 0.011 0.000 0.836 496 E CB -0.788 28.918 29.700 0.011 0.000 0.763 496 E HN 0.126 nan 8.360 nan 0.000 0.491 497 A N 0.457 123.286 122.820 0.016 0.000 1.968 497 A HA -0.088 4.233 4.320 0.001 0.000 0.217 497 A C 2.352 179.961 177.584 0.042 0.000 1.169 497 A CA 1.665 53.720 52.037 0.029 0.000 0.638 497 A CB -0.647 18.366 19.000 0.022 0.000 0.812 497 A HN 0.448 nan 8.150 nan 0.000 0.446 498 T N -2.580 111.992 114.554 0.031 0.000 3.085 498 T HA 0.255 4.605 4.350 0.001 0.000 0.264 498 T C 0.682 175.424 174.700 0.070 0.000 1.019 498 T CA 0.551 62.690 62.100 0.063 0.000 0.910 498 T CB -0.565 68.330 68.868 0.044 0.000 1.059 498 T HN 0.462 nan 8.240 nan 0.000 0.542 499 S N 1.552 117.281 115.700 0.048 0.000 2.531 499 S HA 0.441 4.911 4.470 0.001 0.000 0.279 499 S C -0.026 174.605 174.600 0.051 0.000 1.305 499 S CA -0.767 57.458 58.200 0.042 0.000 1.058 499 S CB -0.307 62.910 63.200 0.027 0.000 0.899 499 S HN 0.439 nan 8.310 nan 0.000 0.493 500 I N 3.849 124.448 120.570 0.048 0.000 2.291 500 I HA 0.217 4.387 4.170 0.001 0.000 0.290 500 I C 0.545 176.682 176.117 0.033 0.000 1.050 500 I CA -0.265 61.063 61.300 0.046 0.000 1.245 500 I CB 1.055 39.081 38.000 0.043 0.000 1.405 500 I HN 0.733 nan 8.210 nan 0.000 0.478 501 Q N 5.610 125.430 119.800 0.034 0.000 2.296 501 Q HA 0.201 4.541 4.340 0.001 0.000 0.263 501 Q C -0.437 175.576 176.000 0.022 0.000 1.026 501 Q CA -0.226 55.593 55.803 0.026 0.000 0.912 501 Q CB 0.767 29.523 28.738 0.029 0.000 1.198 501 Q HN 0.599 nan 8.270 nan 0.000 0.407 502 T N 2.688 117.251 114.554 0.015 0.000 2.868 502 T HA 0.384 4.735 4.350 0.001 0.000 0.292 502 T C -0.614 174.092 174.700 0.011 0.000 1.028 502 T CA -0.509 61.596 62.100 0.009 0.000 1.059 502 T CB 1.328 70.198 68.868 0.003 0.000 0.991 502 T HN 0.543 nan 8.240 nan 0.000 0.531 503 V N 2.306 122.225 119.914 0.008 0.000 2.876 503 V HA 0.865 4.986 4.120 0.001 0.000 0.312 503 V C -0.524 175.575 176.094 0.008 0.000 1.085 503 V CA -0.759 61.549 62.300 0.014 0.000 0.945 503 V CB 1.849 33.686 31.823 0.025 0.000 1.017 503 V HN 0.828 nan 8.190 nan 0.000 0.428 504 V N 0.000 119.922 119.914 0.013 0.000 2.409 504 V HA 0.000 4.121 4.120 0.001 0.000 0.244 504 V CA 0.000 62.305 62.300 0.008 0.000 1.235 504 V CB 0.000 31.827 31.823 0.006 0.000 1.184 504 V HN 0.000 nan 8.190 nan 0.000 0.556