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 3ei9_1_B DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SNYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYKHH 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.645 176.600 0.076 0.000 1.382 19 E CA 0.000 56.435 56.400 0.059 0.000 0.976 19 E CB 0.000 29.724 29.700 0.039 0.000 0.812 20 Y N 2.607 122.907 120.300 -0.001 0.000 2.346 20 Y HA 0.411 4.961 4.550 0.000 0.000 0.330 20 Y C -0.646 175.253 175.900 -0.001 0.000 1.178 20 Y CA 0.397 58.497 58.100 -0.001 0.000 1.331 20 Y CB 0.949 39.409 38.460 -0.001 0.000 1.253 20 Y HN 0.464 nan 8.280 nan 0.000 0.529 21 K N 3.702 123.700 120.400 -0.671 0.000 2.375 21 K HA 0.335 4.655 4.320 -0.000 0.000 0.249 21 K C -0.300 175.868 176.600 -0.720 0.000 0.942 21 K CA -0.943 55.078 56.287 -0.443 0.000 0.806 21 K CB 1.743 34.096 32.500 -0.245 0.000 1.227 21 K HN 0.769 nan 8.250 nan 0.000 0.430 22 T N -1.220 113.190 114.554 -0.240 0.000 2.698 22 T HA 0.131 4.480 4.350 -0.000 0.000 0.295 22 T C 0.608 175.236 174.700 -0.120 0.000 1.007 22 T CA -0.228 61.816 62.100 -0.093 0.000 0.980 22 T CB 0.455 69.357 68.868 0.056 0.000 1.036 22 T HN 0.531 nan 8.240 nan 0.000 0.526 23 K N 0.009 120.380 120.400 -0.048 0.000 2.440 23 K HA 0.333 4.652 4.320 -0.000 0.000 0.206 23 K C -0.512 176.077 176.600 -0.019 0.000 1.025 23 K CA -0.258 56.005 56.287 -0.041 0.000 1.135 23 K CB 0.537 33.022 32.500 -0.025 0.000 0.856 23 K HN 0.325 nan 8.250 nan 0.000 0.502 24 V N 1.982 121.890 119.914 -0.010 0.000 2.432 24 V HA 0.063 4.183 4.120 -0.000 0.000 0.271 24 V C 0.298 176.387 176.094 -0.008 0.000 1.046 24 V CA -0.376 61.922 62.300 -0.002 0.000 0.945 24 V CB 1.297 33.125 31.823 0.009 0.000 0.992 24 V HN 0.168 nan 8.190 nan 0.000 0.471 25 S N 5.337 121.033 115.700 -0.007 0.000 2.510 25 S HA 0.227 4.697 4.470 -0.000 0.000 0.279 25 S C 0.466 175.063 174.600 -0.005 0.000 1.284 25 S CA -0.328 57.868 58.200 -0.008 0.000 1.059 25 S CB 0.152 63.349 63.200 -0.006 0.000 0.901 25 S HN 0.722 nan 8.310 nan 0.000 0.491 26 R N 2.783 123.279 120.500 -0.006 0.000 2.585 26 R HA -0.046 4.293 4.340 -0.000 0.000 0.275 26 R C 0.268 176.567 176.300 -0.002 0.000 1.018 26 R CA -0.259 55.839 56.100 -0.004 0.000 1.072 26 R CB 0.226 30.523 30.300 -0.005 0.000 0.953 26 R HN 0.551 nan 8.270 nan 0.000 0.419 27 N N 1.947 120.646 118.700 -0.002 0.000 2.414 27 N HA -0.104 4.636 4.740 -0.000 0.000 0.268 27 N C 0.644 176.155 175.510 0.001 0.000 1.286 27 N CA 0.763 53.812 53.050 -0.001 0.000 0.896 27 N CB 0.860 39.344 38.487 -0.004 0.000 1.093 27 N HN 0.646 nan 8.380 nan 0.000 0.480 28 S N 3.182 118.885 115.700 0.005 0.000 2.442 28 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 28 S C 1.258 175.867 174.600 0.015 0.000 1.007 28 S CA 0.489 58.695 58.200 0.011 0.000 0.965 28 S CB -0.063 63.145 63.200 0.014 0.000 0.773 28 S HN 0.575 nan 8.310 nan 0.000 0.504 29 N N 1.594 120.298 118.700 0.007 0.000 2.270 29 N HA 0.076 4.816 4.740 -0.000 0.000 0.181 29 N C 1.565 177.070 175.510 -0.008 0.000 1.016 29 N CA 1.178 54.227 53.050 -0.000 0.000 0.870 29 N CB -0.401 38.079 38.487 -0.011 0.000 0.979 29 N HN 0.373 nan 8.380 nan 0.000 0.431 30 M N 0.672 120.267 119.600 -0.009 0.000 2.175 30 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 30 M C 1.908 178.208 176.300 0.001 0.000 1.063 30 M CA 0.882 56.175 55.300 -0.012 0.000 1.119 30 M CB -1.193 31.399 32.600 -0.014 0.000 1.377 30 M HN -0.029 nan 8.290 nan 0.000 0.415 31 S N 0.620 116.327 115.700 0.011 0.000 2.419 31 S HA -0.108 4.362 4.470 -0.000 0.000 0.233 31 S C 1.843 176.471 174.600 0.047 0.000 1.016 31 S CA 1.029 59.241 58.200 0.021 0.000 0.974 31 S CB -0.231 62.981 63.200 0.020 0.000 0.786 31 S HN 0.493 nan 8.310 nan 0.000 0.492 32 K N 0.747 121.187 120.400 0.067 0.000 2.148 32 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 32 K C 0.242 176.975 176.600 0.220 0.000 1.050 32 K CA 0.416 56.789 56.287 0.144 0.000 0.942 32 K CB -0.340 32.245 32.500 0.141 0.000 0.724 32 K HN 0.327 nan 8.250 nan 0.000 0.446 33 L N 1.966 123.260 121.223 0.117 0.000 2.499 33 L HA -0.077 4.263 4.340 -0.000 0.000 0.273 33 L C 1.598 178.502 176.870 0.058 0.000 1.195 33 L CA -0.222 54.690 54.840 0.119 0.000 0.882 33 L CB 0.466 42.532 42.059 0.012 0.000 1.133 33 L HN 0.096 nan 8.230 nan 0.000 0.483 34 Q N 3.216 123.005 119.800 -0.019 0.000 2.187 34 Q HA 0.125 4.465 4.340 -0.000 0.000 0.199 34 Q C 0.200 176.066 176.000 -0.223 0.000 0.957 34 Q CA 1.267 56.900 55.803 -0.283 0.000 0.857 34 Q CB 0.445 28.602 28.738 -0.970 0.000 0.929 34 Q HN 0.787 nan 8.270 nan 0.000 0.453 35 A N -1.841 120.875 122.820 -0.172 0.000 2.524 35 A HA 0.712 5.032 4.320 -0.000 0.000 0.303 35 A C -0.059 177.469 177.584 -0.092 0.000 1.195 35 A CA -0.567 51.381 52.037 -0.148 0.000 0.651 35 A CB -0.007 18.871 19.000 -0.204 0.000 1.323 35 A HN 0.250 nan 8.150 nan 0.000 0.479 36 G N -1.347 107.402 108.800 -0.085 0.000 2.667 36 G HA2 0.419 4.379 3.960 -0.000 0.000 0.250 36 G HA3 0.419 4.379 3.960 -0.000 0.000 0.250 36 G C -0.221 174.673 174.900 -0.010 0.000 1.212 36 G CA -0.011 45.070 45.100 -0.033 0.000 0.874 36 G HN 0.943 nan 8.290 nan 0.000 0.561 37 Y N 0.469 120.704 120.300 -0.107 0.000 2.597 37 Y HA 0.101 4.651 4.550 -0.000 0.000 0.336 37 Y C 1.490 177.282 175.900 -0.179 0.000 1.216 37 Y CA -0.472 57.545 58.100 -0.137 0.000 1.463 37 Y CB 1.090 39.498 38.460 -0.088 0.000 1.303 37 Y HN 0.357 nan 8.280 nan 0.000 0.576 38 L N 4.830 125.502 121.223 -0.917 0.000 1.990 38 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 38 L C 1.672 178.073 176.870 -0.782 0.000 1.072 38 L CA 2.004 56.291 54.840 -0.922 0.000 0.755 38 L CB -0.937 40.275 42.059 -1.411 0.000 0.889 38 L HN 0.742 nan 8.230 nan 0.000 0.432 39 F N -0.374 119.252 119.950 -0.539 0.000 2.163 39 F HA 0.008 4.535 4.527 -0.000 0.000 0.297 39 F C -0.202 175.562 175.800 -0.060 0.000 1.094 39 F CA 1.055 58.922 58.000 -0.222 0.000 1.290 39 F CB -2.369 36.547 39.000 -0.140 0.000 1.017 39 F HN 0.180 nan 8.300 nan 0.000 0.483 40 P HA -0.195 nan 4.420 nan 0.000 0.218 40 P C 1.398 178.729 177.300 0.051 0.000 1.148 40 P CA 1.524 64.692 63.100 0.113 0.000 0.822 40 P CB 0.033 31.811 31.700 0.129 0.000 0.784 41 E N -0.262 119.930 120.200 -0.014 0.000 2.106 41 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 41 E C 1.865 178.482 176.600 0.028 0.000 0.984 41 E CA 1.078 57.460 56.400 -0.029 0.000 0.806 41 E CB -0.975 28.672 29.700 -0.088 0.000 0.750 41 E HN 0.017 nan 8.360 nan 0.000 0.458 42 I N 0.943 121.530 120.570 0.028 0.000 2.226 42 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 42 I C 2.324 178.556 176.117 0.191 0.000 1.100 42 I CA 1.379 62.731 61.300 0.086 0.000 1.374 42 I CB -1.673 36.362 38.000 0.058 0.000 1.057 42 I HN 0.206 nan 8.210 nan 0.000 0.413 43 A N 0.643 123.556 122.820 0.155 0.000 1.933 43 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 43 A C 2.543 180.207 177.584 0.134 0.000 1.175 43 A CA 1.490 53.618 52.037 0.151 0.000 0.628 43 A CB -0.653 18.426 19.000 0.131 0.000 0.814 43 A HN 0.337 nan 8.150 nan 0.000 0.444 44 R N -0.343 120.220 120.500 0.106 0.000 2.081 44 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 44 R C 2.292 178.662 176.300 0.116 0.000 1.131 44 R CA 1.656 57.806 56.100 0.084 0.000 0.960 44 R CB -0.230 30.094 30.300 0.040 0.000 0.856 44 R HN 0.530 nan 8.270 nan 0.000 0.436 45 R N -0.258 120.343 120.500 0.168 0.000 2.090 45 R HA -0.061 4.279 4.340 -0.000 0.000 0.228 45 R C 2.517 178.976 176.300 0.265 0.000 1.110 45 R CA 1.360 57.608 56.100 0.247 0.000 0.973 45 R CB -0.304 30.245 30.300 0.415 0.000 0.869 45 R HN 0.195 nan 8.270 nan 0.000 0.440 46 R N 0.377 121.034 120.500 0.262 0.000 2.073 46 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 46 R C 1.949 178.372 176.300 0.204 0.000 1.134 46 R CA 1.992 58.223 56.100 0.218 0.000 0.952 46 R CB -0.135 30.281 30.300 0.193 0.000 0.850 46 R HN 0.087 nan 8.270 nan 0.000 0.433 47 S N 0.341 116.136 115.700 0.157 0.000 2.368 47 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 47 S C 1.944 176.606 174.600 0.104 0.000 1.030 47 S CA 1.153 59.424 58.200 0.118 0.000 0.999 47 S CB -0.173 63.080 63.200 0.088 0.000 0.844 47 S HN 0.579 nan 8.310 nan 0.000 0.459 48 A N 0.847 123.732 122.820 0.108 0.000 1.933 48 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 48 A C 1.841 179.464 177.584 0.065 0.000 1.175 48 A CA 2.011 54.090 52.037 0.069 0.000 0.628 48 A CB -0.904 18.137 19.000 0.069 0.000 0.814 48 A HN 0.649 nan 8.150 nan 0.000 0.444 49 H N -0.367 118.732 119.070 0.047 0.000 2.353 49 H HA 0.047 4.603 4.556 -0.000 0.000 0.300 49 H C 1.663 177.030 175.328 0.064 0.000 1.090 49 H CA 1.826 57.909 56.048 0.058 0.000 1.327 49 H CB -0.183 29.655 29.762 0.128 0.000 1.383 49 H HN 0.362 nan 8.280 nan 0.000 0.508 50 L N -0.178 121.123 121.223 0.130 0.000 2.291 50 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 50 L C 2.169 179.036 176.870 -0.004 0.000 1.120 50 L CA 0.339 55.224 54.840 0.075 0.000 0.799 50 L CB -0.110 42.022 42.059 0.122 0.000 0.925 50 L HN 0.360 nan 8.230 nan 0.000 0.446 51 L N -0.315 120.892 121.223 -0.027 0.000 2.109 51 L HA -0.208 4.131 4.340 -0.000 0.000 0.207 51 L C 2.639 179.430 176.870 -0.132 0.000 1.086 51 L CA 1.228 56.035 54.840 -0.055 0.000 0.760 51 L CB -0.342 41.693 42.059 -0.039 0.000 0.910 51 L HN 0.251 nan 8.230 nan 0.000 0.437 52 K N -0.153 120.093 120.400 -0.257 0.000 2.057 52 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 52 K C -0.279 175.976 176.600 -0.574 0.000 1.050 52 K CA 1.203 57.186 56.287 -0.507 0.000 0.935 52 K CB 0.205 32.244 32.500 -0.768 0.000 0.715 52 K HN 0.123 nan 8.250 nan 0.000 0.439 53 Y N -0.191 120.000 120.300 -0.182 0.000 2.705 53 Y HA 0.295 4.845 4.550 -0.000 0.000 0.355 53 Y C -2.209 173.624 175.900 -0.113 0.000 1.039 53 Y CA -2.897 55.108 58.100 -0.159 0.000 1.233 53 Y CB 1.419 39.745 38.460 -0.224 0.000 1.103 53 Y HN 0.099 nan 8.280 nan 0.000 0.624 54 P HA -0.127 nan 4.420 nan 0.000 0.219 54 P C 0.569 177.886 177.300 0.029 0.000 1.146 54 P CA 1.646 64.764 63.100 0.031 0.000 0.808 54 P CB 0.484 32.196 31.700 0.019 0.000 0.779 55 D N -1.396 119.016 120.400 0.019 0.000 2.368 55 D HA 0.169 4.809 4.640 -0.000 0.000 0.218 55 D C 0.573 176.836 176.300 -0.061 0.000 1.112 55 D CA -0.037 53.956 54.000 -0.012 0.000 0.834 55 D CB 0.074 40.865 40.800 -0.015 0.000 0.953 55 D HN 0.060 nan 8.370 nan 0.000 0.505 56 A N 1.126 123.902 122.820 -0.072 0.000 2.520 56 A HA 0.042 4.362 4.320 -0.000 0.000 0.245 56 A C 0.684 178.202 177.584 -0.110 0.000 1.072 56 A CA 0.054 51.960 52.037 -0.218 0.000 0.761 56 A CB 0.351 19.275 19.000 -0.127 0.000 1.004 56 A HN -0.073 nan 8.150 nan 0.000 0.499 57 Q N 2.392 122.096 119.800 -0.159 0.000 2.681 57 Q HA 0.221 4.561 4.340 -0.000 0.000 0.222 57 Q C -0.421 175.584 176.000 0.008 0.000 1.258 57 Q CA -0.074 55.701 55.803 -0.047 0.000 1.014 57 Q CB 0.278 28.990 28.738 -0.044 0.000 1.384 57 Q HN 0.478 nan 8.270 nan 0.000 0.570 58 V N 3.476 123.426 119.914 0.060 0.000 2.555 58 V HA 0.202 4.322 4.120 -0.000 0.000 0.286 58 V C 0.615 176.749 176.094 0.065 0.000 1.044 58 V CA -0.008 62.351 62.300 0.098 0.000 1.026 58 V CB 0.654 32.557 31.823 0.134 0.000 0.981 58 V HN 0.488 nan 8.190 nan 0.000 0.480 59 I N 3.845 124.444 120.570 0.048 0.000 2.362 59 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 59 I C 0.087 176.238 176.117 0.056 0.000 0.994 59 I CA -0.034 61.291 61.300 0.042 0.000 1.158 59 I CB 1.788 39.795 38.000 0.012 0.000 1.315 59 I HN 0.509 nan 8.210 nan 0.000 0.451 60 S N 7.570 123.316 115.700 0.076 0.000 2.404 60 S HA 0.457 4.927 4.470 -0.000 0.000 0.309 60 S C 0.377 175.050 174.600 0.122 0.000 1.076 60 S CA -0.476 57.784 58.200 0.100 0.000 1.095 60 S CB 0.436 63.697 63.200 0.101 0.000 0.972 60 S HN 0.472 nan 8.310 nan 0.000 0.484 61 L N 2.578 123.888 121.223 0.145 0.000 3.202 61 L HA 0.350 4.690 4.340 -0.000 0.000 0.278 61 L C 1.480 178.453 176.870 0.172 0.000 1.268 61 L CA -0.370 54.567 54.840 0.162 0.000 1.034 61 L CB 0.014 42.192 42.059 0.198 0.000 1.407 61 L HN 0.780 nan 8.230 nan 0.000 0.581 62 G N 0.482 109.396 108.800 0.189 0.000 2.549 62 G HA2 0.110 4.070 3.960 -0.000 0.000 0.219 62 G HA3 0.110 4.070 3.960 -0.000 0.000 0.219 62 G C 0.494 175.526 174.900 0.221 0.000 1.677 62 G CA -0.341 44.900 45.100 0.235 0.000 0.929 62 G HN 0.116 nan 8.290 nan 0.000 0.549 63 I N 2.188 122.882 120.570 0.206 0.000 2.880 63 I HA 0.255 4.425 4.170 -0.000 0.000 0.296 63 I C 1.158 177.286 176.117 0.018 0.000 1.220 63 I CA 0.118 61.423 61.300 0.008 0.000 1.435 63 I CB 0.787 38.757 38.000 -0.051 0.000 1.339 63 I HN 0.212 nan 8.210 nan 0.000 0.583 64 G N 6.139 114.908 108.800 -0.052 0.000 3.101 64 G HA2 0.055 4.015 3.960 -0.000 0.000 0.272 64 G HA3 0.055 4.015 3.960 -0.000 0.000 0.272 64 G C -0.461 174.613 174.900 0.290 0.000 0.801 64 G CA -0.251 44.965 45.100 0.194 0.000 1.978 64 G HN 0.709 nan 8.290 nan 0.000 0.591 65 D N 1.639 122.163 120.400 0.206 0.000 2.280 65 D HA 0.363 5.003 4.640 -0.000 0.000 0.236 65 D C 1.113 177.347 176.300 -0.110 0.000 1.082 65 D CA -0.366 53.648 54.000 0.025 0.000 0.834 65 D CB 1.102 41.918 40.800 0.027 0.000 1.100 65 D HN 0.253 nan 8.370 nan 0.000 0.486 66 T N 0.423 114.728 114.554 -0.414 0.000 2.903 66 T HA 0.260 4.610 4.350 -0.000 0.000 0.314 66 T C 1.215 175.871 174.700 -0.073 0.000 1.078 66 T CA 0.080 61.858 62.100 -0.537 0.000 1.114 66 T CB 1.048 69.670 68.868 -0.409 0.000 0.987 66 T HN 0.479 nan 8.240 nan 0.000 0.548 67 T N -2.867 111.768 114.554 0.135 0.000 2.966 67 T HA 0.215 4.565 4.350 -0.000 0.000 0.254 67 T C 0.187 175.030 174.700 0.239 0.000 0.961 67 T CA -0.445 61.738 62.100 0.139 0.000 0.915 67 T CB 0.293 69.192 68.868 0.052 0.000 1.186 67 T HN 0.537 nan 8.240 nan 0.000 0.505 68 E N 3.008 123.391 120.200 0.305 0.000 2.313 68 E HA 0.503 4.853 4.350 -0.000 0.000 0.272 68 E C -2.494 174.171 176.600 0.107 0.000 1.038 68 E CA -2.507 53.984 56.400 0.151 0.000 0.863 68 E CB 0.405 30.044 29.700 -0.103 0.000 1.060 68 E HN 0.253 nan 8.360 nan 0.000 0.402 69 P HA 0.078 nan 4.420 nan 0.000 0.268 69 P C -0.044 177.298 177.300 0.069 0.000 1.208 69 P CA 0.051 63.185 63.100 0.056 0.000 0.777 69 P CB 0.406 32.118 31.700 0.020 0.000 0.875 70 I N 3.067 123.695 120.570 0.097 0.000 2.588 70 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 70 I C -1.781 174.391 176.117 0.092 0.000 1.119 70 I CA -1.851 59.531 61.300 0.136 0.000 1.419 70 I CB 0.043 38.157 38.000 0.189 0.000 1.394 70 I HN 0.214 nan 8.210 nan 0.000 0.562 71 P HA -0.013 nan 4.420 nan 0.000 0.265 71 P C 0.401 177.736 177.300 0.059 0.000 1.187 71 P CA 0.073 63.207 63.100 0.057 0.000 0.766 71 P CB 0.503 32.237 31.700 0.058 0.000 0.820 72 E N 1.202 121.425 120.200 0.039 0.000 2.118 72 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 72 E C 1.690 178.313 176.600 0.039 0.000 0.992 72 E CA 0.967 57.388 56.400 0.035 0.000 0.804 72 E CB -0.191 29.523 29.700 0.023 0.000 0.741 72 E HN 0.237 nan 8.360 nan 0.000 0.458 73 V N 1.057 120.993 119.914 0.037 0.000 2.490 73 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 73 V C 1.868 177.988 176.094 0.044 0.000 1.061 73 V CA 1.544 63.865 62.300 0.034 0.000 1.064 73 V CB -0.160 31.679 31.823 0.026 0.000 0.670 73 V HN 0.214 nan 8.190 nan 0.000 0.461 74 I N 0.423 121.032 120.570 0.065 0.000 2.339 74 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 74 I C 2.678 178.855 176.117 0.100 0.000 1.096 74 I CA 1.657 63.015 61.300 0.097 0.000 1.408 74 I CB -0.707 37.381 38.000 0.147 0.000 1.092 74 I HN 0.477 nan 8.210 nan 0.000 0.423 75 T N -2.232 112.374 114.554 0.085 0.000 2.867 75 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 75 T C 1.986 176.703 174.700 0.028 0.000 1.057 75 T CA 1.483 63.612 62.100 0.049 0.000 1.136 75 T CB -0.441 68.449 68.868 0.037 0.000 0.874 75 T HN 0.135 nan 8.240 nan 0.000 0.466 76 S N 1.679 117.400 115.700 0.035 0.000 2.382 76 S HA 0.104 4.574 4.470 -0.000 0.000 0.228 76 S C 2.588 177.206 174.600 0.030 0.000 1.027 76 S CA 0.953 59.173 58.200 0.033 0.000 0.991 76 S CB -0.775 62.446 63.200 0.035 0.000 0.823 76 S HN 0.785 nan 8.310 nan 0.000 0.469 77 A N 1.448 124.286 122.820 0.031 0.000 1.898 77 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 77 A C 2.129 179.720 177.584 0.011 0.000 1.181 77 A CA 1.328 53.380 52.037 0.025 0.000 0.620 77 A CB -0.546 18.471 19.000 0.028 0.000 0.819 77 A HN 0.470 nan 8.150 nan 0.000 0.442 78 M N -0.634 118.969 119.600 0.004 0.000 2.132 78 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 78 M C 2.573 178.834 176.300 -0.064 0.000 1.065 78 M CA 1.399 56.681 55.300 -0.031 0.000 1.122 78 M CB -0.489 32.081 32.600 -0.049 0.000 1.365 78 M HN 0.478 nan 8.290 nan 0.000 0.411 79 A N 0.592 123.374 122.820 -0.063 0.000 1.902 79 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 79 A C 2.166 179.675 177.584 -0.124 0.000 1.181 79 A CA 2.027 53.983 52.037 -0.134 0.000 0.623 79 A CB -0.685 18.276 19.000 -0.064 0.000 0.818 79 A HN 0.470 nan 8.150 nan 0.000 0.443 80 K N -0.297 120.111 120.400 0.013 0.000 2.057 80 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 80 K C 2.130 178.754 176.600 0.040 0.000 1.049 80 K CA 1.887 58.222 56.287 0.080 0.000 0.931 80 K CB -0.145 32.394 32.500 0.065 0.000 0.714 80 K HN 0.255 nan 8.250 nan 0.000 0.440 81 K N 0.802 121.200 120.400 -0.005 0.000 2.063 81 K HA -0.085 4.234 4.320 -0.000 0.000 0.208 81 K C 1.774 178.356 176.600 -0.030 0.000 1.048 81 K CA 1.646 57.925 56.287 -0.015 0.000 0.928 81 K CB -0.550 31.934 32.500 -0.027 0.000 0.713 81 K HN 0.267 nan 8.250 nan 0.000 0.442 82 A N 0.514 123.280 122.820 -0.090 0.000 1.883 82 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 82 A C 2.034 179.572 177.584 -0.076 0.000 1.186 82 A CA 1.894 53.858 52.037 -0.122 0.000 0.624 82 A CB -0.979 17.887 19.000 -0.223 0.000 0.822 82 A HN 0.488 nan 8.150 nan 0.000 0.444 83 H N -0.264 118.812 119.070 0.011 0.000 2.353 83 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 83 H C 2.031 177.372 175.328 0.022 0.000 1.090 83 H CA 1.653 57.709 56.048 0.014 0.000 1.327 83 H CB -0.411 29.357 29.762 0.010 0.000 1.383 83 H HN 0.687 nan 8.280 nan 0.000 0.508 84 E N 0.497 120.780 120.200 0.138 0.000 2.160 84 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 84 E C 2.198 178.856 176.600 0.097 0.000 0.991 84 E CA 0.458 56.912 56.400 0.091 0.000 0.810 84 E CB -0.086 29.646 29.700 0.053 0.000 0.742 84 E HN 0.363 nan 8.360 nan 0.000 0.466 85 L N 0.845 122.124 121.223 0.094 0.000 2.362 85 L HA -0.098 4.242 4.340 -0.000 0.000 0.219 85 L C 2.223 179.213 176.870 0.201 0.000 1.134 85 L CA 0.835 55.773 54.840 0.163 0.000 0.807 85 L CB -0.270 41.858 42.059 0.115 0.000 0.927 85 L HN 0.143 nan 8.230 nan 0.000 0.447 86 S N -2.129 113.647 115.700 0.126 0.000 2.605 86 S HA 0.036 4.506 4.470 -0.000 0.000 0.217 86 S C 0.795 175.433 174.600 0.063 0.000 0.958 86 S CA -0.130 58.120 58.200 0.083 0.000 0.919 86 S CB -0.562 62.686 63.200 0.079 0.000 0.780 86 S HN 0.408 nan 8.310 nan 0.000 0.507 87 T N -1.667 112.939 114.554 0.086 0.000 2.932 87 T HA 0.642 4.992 4.350 -0.000 0.000 0.289 87 T C 1.075 175.822 174.700 0.078 0.000 1.039 87 T CA -0.934 61.203 62.100 0.063 0.000 1.024 87 T CB 0.963 69.865 68.868 0.056 0.000 1.090 87 T HN 0.033 nan 8.240 nan 0.000 0.496 88 I N 1.167 121.766 120.570 0.048 0.000 2.179 88 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 88 I C 2.804 178.969 176.117 0.079 0.000 1.088 88 I CA 1.428 62.759 61.300 0.052 0.000 1.357 88 I CB -0.262 37.752 38.000 0.024 0.000 1.051 88 I HN 0.811 nan 8.210 nan 0.000 0.409 89 E N 0.926 121.161 120.200 0.058 0.000 2.152 89 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 89 E C 2.072 178.705 176.600 0.056 0.000 0.983 89 E CA 1.539 57.969 56.400 0.050 0.000 0.818 89 E CB -0.596 29.123 29.700 0.032 0.000 0.758 89 E HN 0.507 nan 8.360 nan 0.000 0.467 90 G N 0.167 109.009 108.800 0.070 0.000 2.838 90 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.210 90 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.210 90 G C 0.169 175.105 174.900 0.059 0.000 1.153 90 G CA -0.427 44.706 45.100 0.055 0.000 0.778 90 G HN 0.233 nan 8.290 nan 0.000 0.539 91 Y N 3.115 123.414 120.300 -0.002 0.000 2.511 91 Y HA 0.384 4.934 4.550 0.000 0.000 0.332 91 Y C 0.325 176.217 175.900 -0.013 0.000 1.177 91 Y CA -0.643 57.451 58.100 -0.011 0.000 1.422 91 Y CB 0.801 39.253 38.460 -0.015 0.000 1.271 91 Y HN 0.100 nan 8.280 nan 0.000 0.550 92 S N 3.670 118.755 115.700 -1.026 0.000 2.541 92 S HA 0.816 5.285 4.470 -0.000 0.000 0.280 92 S C -0.096 173.888 174.600 -1.026 0.000 1.112 92 S CA -0.414 57.330 58.200 -0.761 0.000 0.925 92 S CB 1.600 64.600 63.200 -0.333 0.000 1.067 92 S HN 0.998 nan 8.310 nan 0.000 0.479 93 G N 0.572 109.048 108.800 -0.540 0.000 3.365 93 G HA2 0.449 4.409 3.960 -0.000 0.000 0.185 93 G HA3 0.449 4.409 3.960 -0.000 0.000 0.185 93 G C -0.840 173.924 174.900 -0.227 0.000 1.565 93 G CA -0.753 44.152 45.100 -0.324 0.000 0.984 93 G HN 0.633 nan 8.290 nan 0.000 0.604 94 Y N 1.304 121.567 120.300 -0.062 0.000 2.712 94 Y HA 0.350 4.900 4.550 -0.000 0.000 0.333 94 Y C 1.281 177.135 175.900 -0.078 0.000 1.225 94 Y CA 0.556 58.615 58.100 -0.067 0.000 1.499 94 Y CB 0.310 38.744 38.460 -0.045 0.000 1.288 94 Y HN 0.420 nan 8.280 nan 0.000 0.575 95 G N 0.988 109.847 108.800 0.097 0.000 2.511 95 G HA2 0.566 4.526 3.960 -0.000 0.000 0.316 95 G HA3 0.566 4.526 3.960 -0.000 0.000 0.316 95 G C -0.886 174.035 174.900 0.034 0.000 1.210 95 G CA -0.641 44.479 45.100 0.033 0.000 0.969 95 G HN 0.879 nan 8.290 nan 0.000 0.492 96 A N -0.338 122.494 122.820 0.020 0.000 2.492 96 A HA 0.355 4.675 4.320 -0.000 0.000 0.254 96 A C 1.146 178.746 177.584 0.025 0.000 1.091 96 A CA 0.103 52.150 52.037 0.017 0.000 0.768 96 A CB 0.122 19.132 19.000 0.016 0.000 1.028 96 A HN 0.712 nan 8.150 nan 0.000 0.498 97 E N 1.306 121.517 120.200 0.018 0.000 2.160 97 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 97 E C 1.722 178.430 176.600 0.181 0.000 0.991 97 E CA 1.798 58.222 56.400 0.040 0.000 0.810 97 E CB -0.051 29.675 29.700 0.043 0.000 0.742 97 E HN 0.836 nan 8.360 nan 0.000 0.466 98 Q N -0.518 119.378 119.800 0.160 0.000 2.364 98 Q HA 0.054 4.394 4.340 -0.000 0.000 0.207 98 Q C 0.390 176.484 176.000 0.156 0.000 0.970 98 Q CA 0.660 56.569 55.803 0.178 0.000 0.888 98 Q CB 0.266 28.994 28.738 -0.017 0.000 0.951 98 Q HN 0.277 nan 8.270 nan 0.000 0.469 99 G N -0.104 108.770 108.800 0.123 0.000 2.587 99 G HA2 0.007 3.967 3.960 -0.000 0.000 0.686 99 G HA3 0.007 3.967 3.960 -0.000 0.000 0.686 99 G C -0.772 174.164 174.900 0.060 0.000 1.236 99 G CA -0.692 44.477 45.100 0.116 0.000 0.820 99 G HN 0.312 nan 8.290 nan 0.000 0.645 100 A N 0.948 123.801 122.820 0.054 0.000 2.546 100 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 100 A C 1.614 179.209 177.584 0.018 0.000 1.063 100 A CA 1.473 53.526 52.037 0.027 0.000 0.757 100 A CB 0.337 19.350 19.000 0.023 0.000 0.991 100 A HN 1.372 nan 8.150 nan 0.000 0.503 101 K N 2.348 122.749 120.400 0.002 0.000 2.032 101 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 101 K C -0.977 175.619 176.600 -0.006 0.000 1.048 101 K CA 2.029 58.311 56.287 -0.008 0.000 0.927 101 K CB -0.756 31.735 32.500 -0.015 0.000 0.712 101 K HN 0.570 nan 8.250 nan 0.000 0.441 102 P HA -0.149 nan 4.420 nan 0.000 0.220 102 P C 1.135 178.435 177.300 0.000 0.000 1.148 102 P CA 0.788 63.885 63.100 -0.006 0.000 0.803 102 P CB 0.075 31.771 31.700 -0.006 0.000 0.782 103 L N -0.338 120.894 121.223 0.015 0.000 2.072 103 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 103 L C 2.293 179.180 176.870 0.028 0.000 1.079 103 L CA 1.704 56.564 54.840 0.033 0.000 0.752 103 L CB -0.827 41.271 42.059 0.064 0.000 0.906 103 L HN -0.235 nan 8.230 nan 0.000 0.436 104 R N -0.365 120.149 120.500 0.023 0.000 2.091 104 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 104 R C 2.238 178.530 176.300 -0.014 0.000 1.136 104 R CA 1.375 57.477 56.100 0.003 0.000 0.959 104 R CB -0.733 29.556 30.300 -0.018 0.000 0.856 104 R HN 0.528 nan 8.270 nan 0.000 0.437 105 A N 1.284 124.095 122.820 -0.016 0.000 1.902 105 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 105 A C 2.393 179.962 177.584 -0.025 0.000 1.181 105 A CA 1.692 53.717 52.037 -0.020 0.000 0.623 105 A CB -0.646 18.340 19.000 -0.022 0.000 0.818 105 A HN 0.404 nan 8.150 nan 0.000 0.443 106 A N -0.152 122.651 122.820 -0.028 0.000 1.902 106 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 106 A C 2.127 179.665 177.584 -0.077 0.000 1.181 106 A CA 1.531 53.537 52.037 -0.050 0.000 0.623 106 A CB -0.599 18.381 19.000 -0.034 0.000 0.818 106 A HN 0.496 nan 8.150 nan 0.000 0.443 107 I N -0.273 120.265 120.570 -0.055 0.000 2.179 107 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 107 I C 2.993 179.150 176.117 0.066 0.000 1.088 107 I CA 1.063 62.313 61.300 -0.083 0.000 1.357 107 I CB -0.346 37.462 38.000 -0.322 0.000 1.051 107 I HN 0.353 nan 8.210 nan 0.000 0.409 108 A N 1.726 124.596 122.820 0.083 0.000 1.908 108 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 108 A C 2.340 180.008 177.584 0.140 0.000 1.181 108 A CA 2.318 54.465 52.037 0.184 0.000 0.627 108 A CB -0.599 18.438 19.000 0.062 0.000 0.818 108 A HN 0.568 nan 8.150 nan 0.000 0.445 109 K N -1.673 118.736 120.400 0.015 0.000 2.076 109 K HA -0.023 4.297 4.320 -0.000 0.000 0.204 109 K C 1.789 178.319 176.600 -0.116 0.000 1.051 109 K CA 1.636 57.904 56.287 -0.032 0.000 0.949 109 K CB -0.753 31.716 32.500 -0.050 0.000 0.726 109 K HN 0.231 nan 8.250 nan 0.000 0.443 110 T N 0.774 115.184 114.554 -0.240 0.000 2.737 110 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 110 T C 1.238 175.587 174.700 -0.584 0.000 1.038 110 T CA 1.406 63.212 62.100 -0.490 0.000 1.144 110 T CB -0.205 68.192 68.868 -0.785 0.000 0.866 110 T HN 0.187 nan 8.240 nan 0.000 0.434 111 F N -0.935 118.846 119.950 -0.282 0.000 2.714 111 F HA 0.301 4.827 4.527 -0.000 0.000 0.294 111 F C 0.826 176.191 175.800 -0.727 0.000 1.120 111 F CA -0.293 57.372 58.000 -0.557 0.000 1.398 111 F CB 0.144 38.669 39.000 -0.791 0.000 1.120 111 F HN 0.168 nan 8.300 nan 0.000 0.589 112 Y N -0.801 119.616 120.300 0.194 0.000 2.717 112 Y HA 0.418 4.968 4.550 -0.000 0.000 0.250 112 Y C 1.281 177.220 175.900 0.064 0.000 1.149 112 Y CA -1.230 56.964 58.100 0.157 0.000 1.211 112 Y CB -0.308 38.248 38.460 0.160 0.000 1.289 112 Y HN -0.124 nan 8.280 nan 0.000 0.552 113 G N 0.349 109.208 108.800 0.099 0.000 2.272 113 G HA2 0.354 4.313 3.960 -0.000 0.000 0.247 113 G HA3 0.354 4.313 3.960 -0.000 0.000 0.247 113 G C 1.106 176.039 174.900 0.055 0.000 1.272 113 G CA 0.627 45.757 45.100 0.050 0.000 0.921 113 G HN 0.762 nan 8.290 nan 0.000 0.495 114 G N 1.235 110.063 108.800 0.046 0.000 2.176 114 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.253 114 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.253 114 G C 0.928 175.863 174.900 0.058 0.000 0.979 114 G CA 0.440 45.564 45.100 0.040 0.000 0.641 114 G HN 0.823 nan 8.290 nan 0.000 0.530 115 L N 0.304 121.580 121.223 0.089 0.000 2.728 115 L HA 0.465 4.805 4.340 -0.000 0.000 0.238 115 L C 1.915 178.796 176.870 0.019 0.000 1.143 115 L CA 0.434 55.335 54.840 0.101 0.000 0.937 115 L CB 0.107 42.300 42.059 0.224 0.000 1.225 115 L HN 0.942 nan 8.230 nan 0.000 0.507 116 G N 1.252 110.049 108.800 -0.006 0.000 2.176 116 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 116 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 116 G C 0.021 174.848 174.900 -0.120 0.000 1.024 116 G CA -0.266 44.801 45.100 -0.054 0.000 0.755 116 G HN 0.170 nan 8.290 nan 0.000 0.507 117 I N 1.244 121.746 120.570 -0.114 0.000 2.336 117 I HA 0.555 4.725 4.170 -0.000 0.000 0.292 117 I C 1.137 177.198 176.117 -0.095 0.000 0.991 117 I CA -0.396 60.795 61.300 -0.182 0.000 1.227 117 I CB 0.829 38.682 38.000 -0.245 0.000 1.366 117 I HN 0.155 nan 8.210 nan 0.000 0.466 118 G N 3.976 112.711 108.800 -0.107 0.000 2.462 118 G HA2 0.302 4.262 3.960 -0.000 0.000 0.319 118 G HA3 0.302 4.262 3.960 -0.000 0.000 0.319 118 G C 0.405 175.260 174.900 -0.075 0.000 1.171 118 G CA -0.354 44.702 45.100 -0.074 0.000 0.920 118 G HN 0.583 nan 8.290 nan 0.000 0.499 119 D N 0.174 120.538 120.400 -0.061 0.000 2.182 119 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 119 D C 1.898 178.133 176.300 -0.109 0.000 0.986 119 D CA 1.421 55.382 54.000 -0.065 0.000 0.847 119 D CB 0.077 40.847 40.800 -0.051 0.000 0.942 119 D HN 0.589 nan 8.370 nan 0.000 0.467 120 D N 0.161 120.490 120.400 -0.118 0.000 2.363 120 D HA -0.104 4.536 4.640 -0.000 0.000 0.220 120 D C 0.716 176.874 176.300 -0.236 0.000 0.994 120 D CA 0.385 54.283 54.000 -0.170 0.000 0.890 120 D CB -0.199 40.534 40.800 -0.111 0.000 0.906 120 D HN 0.061 nan 8.370 nan 0.000 0.530 121 D N 0.255 120.556 120.400 -0.165 0.000 2.349 121 D HA 0.039 4.679 4.640 -0.000 0.000 0.215 121 D C 0.273 176.540 176.300 -0.056 0.000 1.016 121 D CA 0.125 54.070 54.000 -0.091 0.000 0.870 121 D CB 0.929 41.663 40.800 -0.110 0.000 0.917 121 D HN 0.117 nan 8.370 nan 0.000 0.524 122 V N 1.310 121.127 119.914 -0.162 0.000 2.427 122 V HA 0.300 4.420 4.120 -0.000 0.000 0.286 122 V C -0.498 175.521 176.094 -0.125 0.000 1.034 122 V CA -0.597 61.710 62.300 0.012 0.000 0.893 122 V CB 1.175 33.013 31.823 0.024 0.000 0.982 122 V HN -0.141 nan 8.190 nan 0.000 0.452 123 F N 3.207 123.335 119.950 0.296 0.000 2.445 123 F HA 0.490 5.017 4.527 -0.000 0.000 0.348 123 F C 0.085 176.120 175.800 0.392 0.000 1.125 123 F CA -0.789 57.414 58.000 0.339 0.000 0.983 123 F CB 1.718 40.999 39.000 0.470 0.000 1.198 123 F HN 0.173 nan 8.300 nan 0.000 0.436 124 V N 3.434 123.634 119.914 0.475 0.000 2.555 124 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 124 V C 0.236 176.632 176.094 0.503 0.000 1.044 124 V CA -0.241 62.345 62.300 0.477 0.000 1.026 124 V CB 0.967 33.007 31.823 0.363 0.000 0.981 124 V HN 0.854 nan 8.190 nan 0.000 0.480 125 S N 2.314 118.285 115.700 0.452 0.000 2.726 125 S HA 0.441 4.911 4.470 -0.000 0.000 0.308 125 S C 0.179 174.998 174.600 0.364 0.000 1.115 125 S CA -0.549 57.846 58.200 0.326 0.000 0.965 125 S CB 1.815 65.105 63.200 0.150 0.000 1.145 125 S HN 0.787 nan 8.310 nan 0.000 0.532 126 D N -0.530 120.056 120.400 0.310 0.000 2.413 126 D HA 0.386 5.025 4.640 -0.000 0.000 0.237 126 D C 0.702 177.100 176.300 0.162 0.000 1.171 126 D CA 0.232 54.395 54.000 0.271 0.000 0.839 126 D CB -0.602 40.382 40.800 0.308 0.000 0.950 126 D HN 1.181 nan 8.370 nan 0.000 0.499 127 G N -1.279 107.601 108.800 0.133 0.000 2.375 127 G HA2 0.230 4.190 3.960 -0.000 0.000 0.663 127 G HA3 0.230 4.190 3.960 -0.000 0.000 0.663 127 G C 0.455 175.356 174.900 0.003 0.000 1.391 127 G CA -0.246 44.895 45.100 0.068 0.000 0.949 127 G HN 0.300 nan 8.290 nan 0.000 0.646 128 A N 0.489 123.274 122.820 -0.058 0.000 1.930 128 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 128 A C 2.207 179.798 177.584 0.012 0.000 1.175 128 A CA 2.406 54.398 52.037 -0.075 0.000 0.627 128 A CB -0.372 18.523 19.000 -0.175 0.000 0.815 128 A HN 0.987 nan 8.150 nan 0.000 0.443 129 K N -0.420 120.000 120.400 0.034 0.000 2.063 129 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 129 K C 1.946 178.565 176.600 0.032 0.000 1.048 129 K CA 1.873 58.212 56.287 0.087 0.000 0.928 129 K CB -0.440 32.115 32.500 0.092 0.000 0.713 129 K HN 0.577 nan 8.250 nan 0.000 0.442 130 C N 1.154 120.454 119.300 -0.000 0.000 2.446 130 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 130 C C 2.167 177.132 174.990 -0.041 0.000 1.275 130 C CA 0.444 59.438 59.018 -0.041 0.000 1.727 130 C CB -0.787 26.907 27.740 -0.075 0.000 2.010 130 C HN 0.545 nan 8.230 nan 0.000 0.486 131 D N 1.049 121.442 120.400 -0.011 0.000 2.144 131 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 131 D C 1.918 178.259 176.300 0.069 0.000 0.984 131 D CA 1.005 55.033 54.000 0.047 0.000 0.834 131 D CB -0.373 40.454 40.800 0.045 0.000 0.955 131 D HN 0.459 nan 8.370 nan 0.000 0.465 132 I N 0.469 121.096 120.570 0.095 0.000 2.163 132 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 132 I C 2.349 178.543 176.117 0.128 0.000 1.085 132 I CA 0.984 62.389 61.300 0.173 0.000 1.347 132 I CB -0.107 38.031 38.000 0.230 0.000 1.044 132 I HN -0.103 nan 8.210 nan 0.000 0.408 133 S N -0.094 115.639 115.700 0.056 0.000 2.387 133 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 133 S C 2.038 176.659 174.600 0.034 0.000 1.026 133 S CA 0.869 59.085 58.200 0.027 0.000 0.972 133 S CB -0.147 63.038 63.200 -0.025 0.000 0.814 133 S HN 0.334 nan 8.310 nan 0.000 0.477 134 R N 0.675 121.196 120.500 0.035 0.000 2.092 134 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 134 R C 2.112 178.478 176.300 0.111 0.000 1.119 134 R CA 0.878 57.007 56.100 0.049 0.000 0.970 134 R CB -0.455 29.844 30.300 -0.001 0.000 0.864 134 R HN 0.355 nan 8.270 nan 0.000 0.440 135 L N 0.674 121.953 121.223 0.094 0.000 2.083 135 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 135 L C 2.599 179.335 176.870 -0.224 0.000 1.083 135 L CA 1.202 55.929 54.840 -0.187 0.000 0.752 135 L CB -0.355 41.555 42.059 -0.248 0.000 0.899 135 L HN 0.207 nan 8.230 nan 0.000 0.433 136 Q N -0.538 119.312 119.800 0.084 0.000 2.119 136 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 136 Q C 2.440 178.516 176.000 0.127 0.000 0.972 136 Q CA 1.233 57.168 55.803 0.219 0.000 0.847 136 Q CB -0.269 28.596 28.738 0.211 0.000 0.903 136 Q HN 0.398 nan 8.270 nan 0.000 0.433 137 V N 1.535 121.483 119.914 0.056 0.000 2.332 137 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 137 V C 2.408 178.519 176.094 0.028 0.000 1.055 137 V CA 1.904 64.225 62.300 0.035 0.000 1.038 137 V CB -0.638 31.191 31.823 0.010 0.000 0.651 137 V HN 0.387 nan 8.190 nan 0.000 0.450 138 M N -0.704 118.886 119.600 -0.017 0.000 2.067 138 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 138 M C 2.165 178.489 176.300 0.040 0.000 1.069 138 M CA 2.235 57.517 55.300 -0.030 0.000 1.117 138 M CB -0.246 32.303 32.600 -0.084 0.000 1.334 138 M HN 0.309 nan 8.290 nan 0.000 0.407 139 F N 0.999 121.029 119.950 0.134 0.000 2.171 139 F HA 0.131 4.658 4.527 0.000 0.000 0.300 139 F C 1.908 177.742 175.800 0.057 0.000 1.090 139 F CA 1.126 59.199 58.000 0.121 0.000 1.293 139 F CB -1.432 37.635 39.000 0.112 0.000 1.013 139 F HN 0.439 nan 8.300 nan 0.000 0.486 140 G N -0.451 108.487 108.800 0.230 0.000 2.760 140 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.246 140 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.246 140 G C 0.795 175.759 174.900 0.107 0.000 1.359 140 G CA 0.062 45.234 45.100 0.120 0.000 0.861 140 G HN 0.563 nan 8.290 nan 0.000 0.541 141 S N -0.697 115.038 115.700 0.058 0.000 2.489 141 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 141 S C 1.424 176.046 174.600 0.036 0.000 0.995 141 S CA 1.406 59.632 58.200 0.044 0.000 0.934 141 S CB 0.030 63.245 63.200 0.025 0.000 0.771 141 S HN 0.618 nan 8.310 nan 0.000 0.522 142 N N 1.832 120.550 118.700 0.031 0.000 2.280 142 N HA 0.167 4.907 4.740 -0.000 0.000 0.192 142 N C 0.414 175.931 175.510 0.010 0.000 1.109 142 N CA 0.331 53.390 53.050 0.014 0.000 0.855 142 N CB 0.929 39.414 38.487 -0.003 0.000 0.974 142 N HN 0.585 nan 8.380 nan 0.000 0.482 143 V N -0.555 119.372 119.914 0.021 0.000 2.743 143 V HA 0.602 4.722 4.120 -0.000 0.000 0.301 143 V C 0.586 176.676 176.094 -0.006 0.000 1.057 143 V CA -0.748 61.545 62.300 -0.010 0.000 1.006 143 V CB 1.129 32.921 31.823 -0.052 0.000 1.024 143 V HN 0.160 nan 8.190 nan 0.000 0.473 144 T N 2.451 116.990 114.554 -0.025 0.000 2.895 144 T HA 0.783 5.133 4.350 -0.000 0.000 0.283 144 T C -0.265 174.424 174.700 -0.019 0.000 1.014 144 T CA -0.452 61.643 62.100 -0.007 0.000 1.037 144 T CB 1.517 70.383 68.868 -0.003 0.000 1.006 144 T HN 1.321 nan 8.240 nan 0.000 0.468 145 I N -0.854 119.727 120.570 0.018 0.000 2.740 145 I HA 0.921 5.091 4.170 -0.000 0.000 0.303 145 I C -0.719 175.421 176.117 0.038 0.000 1.044 145 I CA -1.651 59.679 61.300 0.050 0.000 1.064 145 I CB 1.871 39.991 38.000 0.201 0.000 1.249 145 I HN 0.891 nan 8.210 nan 0.000 0.433 146 A N 4.555 127.411 122.820 0.060 0.000 2.350 146 A HA 0.871 5.191 4.320 -0.000 0.000 0.324 146 A C -0.564 177.070 177.584 0.084 0.000 1.118 146 A CA -0.465 51.598 52.037 0.044 0.000 0.783 146 A CB 1.615 20.656 19.000 0.069 0.000 1.236 146 A HN 1.305 nan 8.150 nan 0.000 0.457 147 V N -0.045 119.869 119.914 0.001 0.000 2.962 147 V HA 0.624 4.744 4.120 -0.000 0.000 0.313 147 V C -0.492 175.619 176.094 0.028 0.000 1.099 147 V CA -1.025 61.298 62.300 0.038 0.000 0.971 147 V CB 1.196 33.015 31.823 -0.006 0.000 1.028 147 V HN 0.950 nan 8.190 nan 0.000 0.430 148 Q N 1.269 121.084 119.800 0.025 0.000 2.392 148 Q HA 0.364 4.703 4.340 -0.000 0.000 0.262 148 Q C -0.911 175.119 176.000 0.049 0.000 1.003 148 Q CA 0.490 56.280 55.803 -0.021 0.000 0.888 148 Q CB 0.583 29.229 28.738 -0.155 0.000 1.260 148 Q HN 0.867 nan 8.270 nan 0.000 0.435 149 D N 2.548 122.989 120.400 0.068 0.000 2.469 149 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 149 D C -2.584 173.753 176.300 0.060 0.000 1.173 149 D CA -2.059 52.026 54.000 0.142 0.000 0.882 149 D CB 1.212 42.161 40.800 0.249 0.000 1.129 149 D HN 0.151 nan 8.370 nan 0.000 0.549 150 P HA 0.350 nan 4.420 nan 0.000 0.278 150 P C -0.722 176.525 177.300 -0.088 0.000 1.258 150 P CA -0.537 62.553 63.100 -0.017 0.000 0.811 150 P CB 1.614 33.230 31.700 -0.140 0.000 1.063 151 S N -0.332 115.391 115.700 0.039 0.000 2.565 151 S HA 0.275 4.745 4.470 -0.000 0.000 0.269 151 S C -1.482 173.232 174.600 0.191 0.000 1.153 151 S CA -0.591 57.644 58.200 0.058 0.000 0.835 151 S CB 0.239 63.537 63.200 0.162 0.000 1.122 151 S HN 0.369 nan 8.310 nan 0.000 0.462 152 Y N 4.902 125.186 120.300 -0.026 0.000 2.916 152 Y HA 0.118 4.668 4.550 -0.000 0.000 0.344 152 Y C -1.555 174.158 175.900 -0.311 0.000 1.282 152 Y CA -0.707 57.329 58.100 -0.108 0.000 1.604 152 Y CB 0.649 38.907 38.460 -0.337 0.000 1.207 152 Y HN 0.453 nan 8.280 nan 0.000 0.561 153 P HA -0.087 nan 4.420 nan 0.000 0.230 153 P C 0.911 177.946 177.300 -0.443 0.000 1.158 153 P CA 1.511 64.354 63.100 -0.428 0.000 0.769 153 P CB -0.033 31.393 31.700 -0.456 0.000 0.807 154 A N -0.567 121.750 122.820 -0.839 0.000 1.972 154 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 154 A C 1.923 179.255 177.584 -0.420 0.000 1.169 154 A CA 1.138 52.826 52.037 -0.582 0.000 0.635 154 A CB -1.532 17.079 19.000 -0.649 0.000 0.810 154 A HN 0.070 nan 8.150 nan 0.000 0.446 155 Y N -0.324 119.734 120.300 -0.404 0.000 2.114 155 Y HA -0.139 4.411 4.550 -0.000 0.000 0.284 155 Y C 2.603 178.205 175.900 -0.495 0.000 1.143 155 Y CA 0.770 58.487 58.100 -0.639 0.000 1.135 155 Y CB -1.352 36.657 38.460 -0.753 0.000 0.980 155 Y HN 0.069 nan 8.280 nan 0.000 0.499 156 V N 0.432 120.240 119.914 -0.177 0.000 2.295 156 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 156 V C 1.878 177.844 176.094 -0.214 0.000 1.049 156 V CA 2.261 64.470 62.300 -0.151 0.000 1.024 156 V CB -0.602 31.213 31.823 -0.012 0.000 0.648 156 V HN 0.299 nan 8.190 nan 0.000 0.447 157 D N 0.158 120.439 120.400 -0.198 0.000 2.144 157 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 157 D C 2.423 178.600 176.300 -0.205 0.000 0.978 157 D CA 1.648 55.522 54.000 -0.210 0.000 0.833 157 D CB -0.312 40.412 40.800 -0.125 0.000 0.961 157 D HN 0.585 nan 8.370 nan 0.000 0.470 158 S N -0.471 115.115 115.700 -0.189 0.000 2.383 158 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 158 S C 2.087 176.632 174.600 -0.092 0.000 1.026 158 S CA 1.439 59.560 58.200 -0.131 0.000 0.981 158 S CB -0.340 62.798 63.200 -0.103 0.000 0.818 158 S HN 0.115 nan 8.310 nan 0.000 0.472 159 S N 0.901 116.532 115.700 -0.114 0.000 2.356 159 S HA -0.070 4.400 4.470 -0.000 0.000 0.223 159 S C 1.858 176.398 174.600 -0.099 0.000 1.032 159 S CA 1.403 59.564 58.200 -0.065 0.000 1.005 159 S CB -0.730 62.426 63.200 -0.072 0.000 0.867 159 S HN 0.455 nan 8.310 nan 0.000 0.449 160 V N 2.000 121.791 119.914 -0.206 0.000 2.295 160 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 160 V C 2.285 178.301 176.094 -0.130 0.000 1.049 160 V CA 2.001 64.158 62.300 -0.239 0.000 1.024 160 V CB -0.666 30.861 31.823 -0.494 0.000 0.648 160 V HN 0.507 nan 8.190 nan 0.000 0.447 161 I N -0.688 119.809 120.570 -0.121 0.000 2.264 161 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 161 I C 2.293 178.386 176.117 -0.039 0.000 1.111 161 I CA 1.393 62.648 61.300 -0.075 0.000 1.382 161 I CB -0.261 37.690 38.000 -0.081 0.000 1.060 161 I HN 0.271 nan 8.210 nan 0.000 0.418 162 M N -0.093 119.492 119.600 -0.025 0.000 2.618 162 M HA 0.128 4.608 4.480 -0.000 0.000 0.240 162 M C 1.491 177.798 176.300 0.012 0.000 1.123 162 M CA 0.755 56.060 55.300 0.007 0.000 1.060 162 M CB -0.846 31.779 32.600 0.042 0.000 1.535 162 M HN 0.449 nan 8.290 nan 0.000 0.507 163 G N 0.708 109.507 108.800 -0.002 0.000 2.132 163 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.228 163 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.228 163 G C 0.608 175.518 174.900 0.016 0.000 1.000 163 G CA 0.262 45.366 45.100 0.007 0.000 0.693 163 G HN 0.518 nan 8.290 nan 0.000 0.515 164 Q N 0.044 119.853 119.800 0.016 0.000 2.403 164 Q HA 0.227 4.567 4.340 -0.000 0.000 0.203 164 Q C 1.366 177.384 176.000 0.029 0.000 0.932 164 Q CA 1.083 56.903 55.803 0.027 0.000 0.945 164 Q CB 0.428 29.190 28.738 0.040 0.000 1.045 164 Q HN 0.782 nan 8.270 nan 0.000 0.511 165 T N -4.395 110.177 114.554 0.029 0.000 2.864 165 T HA 0.696 5.046 4.350 -0.000 0.000 0.289 165 T C 0.348 175.100 174.700 0.087 0.000 1.082 165 T CA -0.500 61.638 62.100 0.063 0.000 1.009 165 T CB 1.791 70.692 68.868 0.056 0.000 1.234 165 T HN 0.067 nan 8.240 nan 0.000 0.526 166 G N -0.138 108.740 108.800 0.130 0.000 2.543 166 G HA2 0.540 4.500 3.960 -0.000 0.000 0.267 166 G HA3 0.540 4.500 3.960 -0.000 0.000 0.267 166 G C -0.443 174.586 174.900 0.216 0.000 1.406 166 G CA -0.707 44.473 45.100 0.134 0.000 1.048 166 G HN 0.773 nan 8.290 nan 0.000 0.548 167 Q N -1.014 118.894 119.800 0.179 0.000 2.471 167 Q HA 0.182 4.522 4.340 -0.000 0.000 0.223 167 Q C -0.877 175.264 176.000 0.235 0.000 1.045 167 Q CA -0.462 55.474 55.803 0.222 0.000 0.956 167 Q CB 1.241 30.055 28.738 0.127 0.000 1.249 167 Q HN 0.328 nan 8.270 nan 0.000 0.549 168 F N 2.417 122.369 119.950 0.003 0.000 2.467 168 F HA 0.041 4.568 4.527 -0.000 0.000 0.362 168 F C 0.482 176.179 175.800 -0.172 0.000 1.090 168 F CA -0.322 57.487 58.000 -0.318 0.000 1.202 168 F CB 0.379 39.071 39.000 -0.513 0.000 1.113 168 F HN 0.312 nan 8.300 nan 0.000 0.541 169 N N 3.911 122.215 118.700 -0.660 0.000 2.439 169 N HA 0.049 4.788 4.740 -0.000 0.000 0.249 169 N C 0.816 175.945 175.510 -0.635 0.000 1.003 169 N CA 0.256 53.030 53.050 -0.460 0.000 0.942 169 N CB 1.264 39.552 38.487 -0.331 0.000 1.115 169 N HN 0.777 nan 8.380 nan 0.000 0.505 170 T N 0.070 114.444 114.554 -0.301 0.000 3.023 170 T HA -0.028 4.321 4.350 -0.000 0.000 0.266 170 T C 0.899 175.507 174.700 -0.153 0.000 1.093 170 T CA 0.675 62.676 62.100 -0.165 0.000 1.129 170 T CB 0.116 68.990 68.868 0.011 0.000 0.899 170 T HN 0.276 nan 8.240 nan 0.000 0.491 171 D N 1.796 122.101 120.400 -0.158 0.000 2.117 171 D HA -0.063 4.577 4.640 -0.000 0.000 0.197 171 D C 2.196 178.410 176.300 -0.143 0.000 0.987 171 D CA 1.660 55.589 54.000 -0.118 0.000 0.829 171 D CB -0.108 40.633 40.800 -0.099 0.000 0.961 171 D HN 0.568 nan 8.370 nan 0.000 0.460 172 V N -3.234 116.547 119.914 -0.223 0.000 3.643 172 V HA 0.182 4.302 4.120 -0.000 0.000 0.280 172 V C 0.160 176.059 176.094 -0.325 0.000 1.351 172 V CA -0.251 61.909 62.300 -0.233 0.000 1.073 172 V CB 0.227 31.917 31.823 -0.222 0.000 0.863 172 V HN -0.035 nan 8.190 nan 0.000 0.436 173 Q N 0.608 120.134 119.800 -0.456 0.000 2.463 173 Q HA -0.188 4.152 4.340 -0.000 0.000 0.299 173 Q C -0.303 175.289 176.000 -0.681 0.000 1.353 173 Q CA 1.189 56.674 55.803 -0.529 0.000 0.828 173 Q CB -1.599 27.101 28.738 -0.063 0.000 1.157 173 Q HN 0.865 nan 8.270 nan 0.000 0.436 174 K N -0.068 119.748 120.400 -0.974 0.000 2.469 174 K HA 0.503 4.823 4.320 -0.000 0.000 0.254 174 K C -0.821 175.503 176.600 -0.460 0.000 0.939 174 K CA -0.754 55.161 56.287 -0.620 0.000 0.812 174 K CB 1.267 33.419 32.500 -0.581 0.000 1.301 174 K HN -0.060 nan 8.250 nan 0.000 0.433 175 Y N 0.377 120.800 120.300 0.205 0.000 2.359 175 Y HA 0.193 4.743 4.550 -0.000 0.000 0.330 175 Y C 1.365 177.366 175.900 0.169 0.000 1.143 175 Y CA 0.174 58.405 58.100 0.218 0.000 1.318 175 Y CB 0.837 39.469 38.460 0.286 0.000 1.234 175 Y HN 0.710 nan 8.280 nan 0.000 0.522 176 G N 1.878 110.819 108.800 0.235 0.000 2.491 176 G HA2 0.112 4.072 3.960 -0.000 0.000 0.238 176 G HA3 0.112 4.072 3.960 -0.000 0.000 0.238 176 G C 0.373 175.372 174.900 0.165 0.000 1.277 176 G CA 0.090 45.282 45.100 0.154 0.000 0.851 176 G HN 0.937 nan 8.290 nan 0.000 0.573 177 N N -1.426 117.349 118.700 0.126 0.000 2.948 177 N HA -0.193 4.547 4.740 -0.000 0.000 0.239 177 N C -0.031 175.533 175.510 0.090 0.000 0.954 177 N CA 0.989 54.095 53.050 0.094 0.000 0.941 177 N CB -1.444 37.087 38.487 0.073 0.000 1.101 177 N HN 0.540 nan 8.380 nan 0.000 0.579 178 I N 0.875 121.521 120.570 0.127 0.000 2.359 178 I HA 0.195 4.365 4.170 -0.000 0.000 0.294 178 I C 0.532 176.683 176.117 0.057 0.000 0.987 178 I CA -0.720 60.596 61.300 0.026 0.000 1.225 178 I CB 1.508 39.436 38.000 -0.120 0.000 1.366 178 I HN 0.074 nan 8.210 nan 0.000 0.466 179 E N 5.944 126.145 120.200 0.002 0.000 2.052 179 E HA 0.179 4.529 4.350 -0.000 0.000 0.283 179 E C -1.562 175.048 176.600 0.017 0.000 1.071 179 E CA -0.210 56.228 56.400 0.064 0.000 0.851 179 E CB 0.218 29.956 29.700 0.064 0.000 1.066 179 E HN 0.208 nan 8.360 nan 0.000 0.396 180 Y N 4.666 124.999 120.300 0.055 0.000 2.425 180 Y HA 0.217 4.767 4.550 -0.000 0.000 0.347 180 Y C 0.334 176.247 175.900 0.021 0.000 0.976 180 Y CA -0.462 57.668 58.100 0.050 0.000 1.190 180 Y CB 0.676 39.165 38.460 0.049 0.000 1.136 180 Y HN 0.372 nan 8.280 nan 0.000 0.517 181 M N 4.097 123.765 119.600 0.113 0.000 2.143 181 M HA 0.251 4.731 4.480 -0.000 0.000 0.348 181 M C 0.112 176.426 176.300 0.024 0.000 1.375 181 M CA -0.362 54.955 55.300 0.027 0.000 1.124 181 M CB 0.490 33.064 32.600 -0.043 0.000 1.669 181 M HN 0.437 nan 8.290 nan 0.000 0.469 182 R N 2.520 123.026 120.500 0.011 0.000 2.404 182 R HA 0.186 4.526 4.340 -0.000 0.000 0.315 182 R C -1.495 174.792 176.300 -0.021 0.000 1.032 182 R CA 0.265 56.371 56.100 0.010 0.000 0.992 182 R CB -0.012 30.290 30.300 0.003 0.000 0.959 182 R HN 0.741 nan 8.270 nan 0.000 0.428 183 C N 3.973 123.278 119.300 0.008 0.000 2.301 183 C HA 0.654 5.114 4.460 -0.000 0.000 0.323 183 C C -0.073 174.937 174.990 0.034 0.000 1.265 183 C CA -0.624 58.411 59.018 0.028 0.000 1.503 183 C CB 0.655 28.444 27.740 0.081 0.000 2.195 183 C HN 0.924 nan 8.230 nan 0.000 0.477 184 T N 0.479 114.901 114.554 -0.219 0.000 2.901 184 T HA 0.497 4.847 4.350 -0.000 0.000 0.293 184 T C -2.434 171.583 174.700 -1.139 0.000 1.084 184 T CA -1.578 60.262 62.100 -0.434 0.000 1.008 184 T CB 1.907 70.640 68.868 -0.225 0.000 1.170 184 T HN 0.135 nan 8.240 nan 0.000 0.509 185 P HA -0.100 nan 4.420 nan 0.000 0.216 185 P C 1.145 178.113 177.300 -0.553 0.000 1.153 185 P CA 1.223 63.662 63.100 -1.102 0.000 0.858 185 P CB 0.068 31.411 31.700 -0.595 0.000 0.789 186 E N -0.410 119.583 120.200 -0.346 0.000 2.110 186 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 186 E C 1.279 177.779 176.600 -0.166 0.000 0.988 186 E CA 1.431 57.720 56.400 -0.185 0.000 0.804 186 E CB -0.926 28.701 29.700 -0.121 0.000 0.745 186 E HN 0.452 nan 8.360 nan 0.000 0.458 187 N N -0.839 117.734 118.700 -0.213 0.000 2.268 187 N HA 0.102 4.842 4.740 -0.000 0.000 0.204 187 N C 0.760 176.214 175.510 -0.093 0.000 1.124 187 N CA 0.581 53.563 53.050 -0.113 0.000 0.838 187 N CB 0.508 38.959 38.487 -0.060 0.000 0.994 187 N HN 0.115 nan 8.380 nan 0.000 0.489 188 G N -0.084 108.584 108.800 -0.221 0.000 2.179 188 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 188 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 188 G C 0.097 175.025 174.900 0.046 0.000 1.010 188 G CA 0.072 45.111 45.100 -0.102 0.000 0.736 188 G HN 0.366 nan 8.290 nan 0.000 0.513 189 F N -3.347 116.602 119.950 -0.003 0.000 3.057 189 F HA -0.164 4.363 4.527 -0.000 0.000 0.287 189 F C 0.582 176.421 175.800 0.066 0.000 0.834 189 F CA 1.138 59.114 58.000 -0.039 0.000 1.147 189 F CB -2.065 36.862 39.000 -0.122 0.000 1.245 189 F HN 0.563 nan 8.300 nan 0.000 0.509 190 F N 3.389 123.381 119.950 0.071 0.000 2.507 190 F HA 0.691 5.218 4.527 -0.000 0.000 0.325 190 F C -2.348 173.475 175.800 0.038 0.000 1.116 190 F CA -2.807 55.250 58.000 0.095 0.000 0.930 190 F CB 1.515 40.577 39.000 0.102 0.000 1.146 190 F HN -0.297 nan 8.300 nan 0.000 0.447 191 P HA 0.054 nan 4.420 nan 0.000 0.274 191 P C -1.083 176.040 177.300 -0.294 0.000 1.231 191 P CA -0.178 62.701 63.100 -0.367 0.000 0.790 191 P CB 0.831 32.294 31.700 -0.394 0.000 0.951 192 D N 1.857 122.174 120.400 -0.139 0.000 2.359 192 D HA 0.057 4.696 4.640 -0.000 0.000 0.250 192 D C 1.178 177.391 176.300 -0.144 0.000 1.264 192 D CA -0.007 53.946 54.000 -0.078 0.000 0.911 192 D CB -0.167 40.614 40.800 -0.032 0.000 1.056 192 D HN 0.209 nan 8.370 nan 0.000 0.499 193 L N 2.750 123.854 121.223 -0.199 0.000 2.362 193 L HA -0.152 4.188 4.340 -0.000 0.000 0.219 193 L C 2.389 179.187 176.870 -0.120 0.000 1.134 193 L CA 0.900 55.518 54.840 -0.371 0.000 0.807 193 L CB -0.384 41.345 42.059 -0.550 0.000 0.927 193 L HN 0.396 nan 8.230 nan 0.000 0.447 194 S N -1.358 114.333 115.700 -0.015 0.000 2.474 194 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 194 S C 1.853 176.481 174.600 0.046 0.000 0.997 194 S CA 1.282 59.513 58.200 0.051 0.000 0.949 194 S CB -0.600 62.624 63.200 0.041 0.000 0.766 194 S HN 0.567 nan 8.310 nan 0.000 0.517 195 T N -1.139 113.420 114.554 0.007 0.000 3.086 195 T HA 0.367 4.717 4.350 -0.000 0.000 0.250 195 T C 0.265 174.979 174.700 0.025 0.000 1.074 195 T CA -0.279 61.828 62.100 0.013 0.000 0.988 195 T CB -0.132 68.732 68.868 -0.006 0.000 0.988 195 T HN 0.147 nan 8.240 nan 0.000 0.530 196 V N 2.248 122.177 119.914 0.025 0.000 2.383 196 V HA 0.665 4.784 4.120 -0.000 0.000 0.275 196 V C 1.208 177.424 176.094 0.203 0.000 1.036 196 V CA -0.931 61.406 62.300 0.061 0.000 0.889 196 V CB 0.837 32.605 31.823 -0.092 0.000 0.985 196 V HN 0.557 nan 8.190 nan 0.000 0.459 197 G N 3.886 112.774 108.800 0.147 0.000 2.527 197 G HA2 0.246 4.206 3.960 -0.000 0.000 0.248 197 G HA3 0.246 4.206 3.960 -0.000 0.000 0.248 197 G C 0.088 175.075 174.900 0.145 0.000 1.231 197 G CA -0.437 44.739 45.100 0.127 0.000 0.838 197 G HN 0.606 nan 8.290 nan 0.000 0.570 198 R N 0.135 120.669 120.500 0.057 0.000 2.537 198 R HA 0.227 4.567 4.340 -0.000 0.000 0.280 198 R C 0.219 176.516 176.300 -0.005 0.000 1.058 198 R CA 0.549 56.634 56.100 -0.025 0.000 1.057 198 R CB 0.135 30.384 30.300 -0.085 0.000 0.973 198 R HN 0.720 nan 8.270 nan 0.000 0.438 199 T N -0.885 113.657 114.554 -0.020 0.000 2.865 199 T HA 0.254 4.604 4.350 -0.000 0.000 0.294 199 T C 0.450 175.106 174.700 -0.073 0.000 1.119 199 T CA -0.949 61.135 62.100 -0.026 0.000 1.007 199 T CB 1.578 70.445 68.868 -0.001 0.000 1.225 199 T HN 0.419 nan 8.240 nan 0.000 0.515 200 D N -0.009 120.337 120.400 -0.091 0.000 2.103 200 D HA 0.077 4.717 4.640 -0.000 0.000 0.199 200 D C 0.660 176.825 176.300 -0.225 0.000 0.978 200 D CA 1.171 55.088 54.000 -0.139 0.000 0.829 200 D CB 0.182 40.898 40.800 -0.140 0.000 0.981 200 D HN 0.407 nan 8.370 nan 0.000 0.464 201 I N 1.103 121.512 120.570 -0.268 0.000 2.530 201 I HA 0.359 4.528 4.170 -0.000 0.000 0.297 201 I C 0.020 175.980 176.117 -0.262 0.000 1.011 201 I CA -0.742 60.309 61.300 -0.416 0.000 1.107 201 I CB 1.959 39.565 38.000 -0.657 0.000 1.285 201 I HN -0.189 nan 8.210 nan 0.000 0.436 202 I N 5.205 125.607 120.570 -0.281 0.000 2.411 202 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 202 I C -0.827 175.161 176.117 -0.215 0.000 1.012 202 I CA -0.403 60.827 61.300 -0.116 0.000 1.119 202 I CB 1.170 39.180 38.000 0.016 0.000 1.261 202 I HN 0.240 nan 8.210 nan 0.000 0.448 203 F N 6.423 126.306 119.950 -0.112 0.000 2.424 203 F HA 0.366 4.893 4.527 -0.000 0.000 0.356 203 F C -0.205 175.501 175.800 -0.156 0.000 1.110 203 F CA -0.145 57.688 58.000 -0.279 0.000 1.161 203 F CB 0.658 39.281 39.000 -0.628 0.000 1.115 203 F HN 0.279 nan 8.300 nan 0.000 0.507 204 F N 4.394 124.271 119.950 -0.123 0.000 2.562 204 F HA 0.468 4.995 4.527 -0.000 0.000 0.319 204 F C -0.992 174.704 175.800 -0.173 0.000 1.154 204 F CA -1.113 56.847 58.000 -0.067 0.000 0.931 204 F CB 0.903 39.928 39.000 0.042 0.000 1.198 204 F HN 0.464 nan 8.300 nan 0.000 0.444 205 C N 4.914 123.951 119.300 -0.438 0.000 2.303 205 C HA 0.829 5.289 4.460 -0.000 0.000 0.326 205 C C -0.562 174.179 174.990 -0.416 0.000 1.285 205 C CA -0.084 58.739 59.018 -0.324 0.000 1.675 205 C CB -0.024 27.677 27.740 -0.065 0.000 2.289 205 C HN 0.804 nan 8.230 nan 0.000 0.512 206 S N 6.684 122.184 115.700 -0.333 0.000 2.668 206 S HA 0.580 5.050 4.470 -0.000 0.000 0.277 206 S C -2.947 171.647 174.600 -0.009 0.000 1.170 206 S CA -0.687 57.456 58.200 -0.095 0.000 0.994 206 S CB 1.520 64.839 63.200 0.198 0.000 1.051 206 S HN 0.675 nan 8.310 nan 0.000 0.484 207 P HA 0.071 nan 4.420 nan 0.000 0.266 207 P C -0.527 176.749 177.300 -0.041 0.000 1.195 207 P CA -0.112 62.995 63.100 0.012 0.000 0.768 207 P CB 0.328 32.033 31.700 0.008 0.000 0.838 208 N N 3.136 121.750 118.700 -0.143 0.000 2.518 208 N HA -0.005 4.735 4.740 -0.000 0.000 0.266 208 N C -0.516 174.859 175.510 -0.226 0.000 1.196 208 N CA -0.039 52.874 53.050 -0.228 0.000 0.947 208 N CB 0.205 38.485 38.487 -0.346 0.000 1.098 208 N HN 0.260 nan 8.380 nan 0.000 0.450 209 N N 3.596 122.138 118.700 -0.262 0.000 2.424 209 N HA 0.345 5.085 4.740 -0.000 0.000 0.271 209 N C -2.186 172.921 175.510 -0.671 0.000 0.985 209 N CA -2.113 50.609 53.050 -0.547 0.000 0.921 209 N CB 1.614 39.868 38.487 -0.388 0.000 1.149 209 N HN 0.402 nan 8.380 nan 0.000 0.492 210 P HA 0.126 nan 4.420 nan 0.000 0.275 210 P C 0.626 177.142 177.300 -1.306 0.000 1.310 210 P CA 0.264 62.441 63.100 -1.538 0.000 0.904 210 P CB 0.270 30.583 31.700 -2.311 0.000 1.381 211 T N -4.510 109.265 114.554 -1.299 0.000 3.023 211 T HA 0.192 4.542 4.350 -0.000 0.000 0.266 211 T C 1.710 176.003 174.700 -0.679 0.000 1.093 211 T CA 1.189 62.441 62.100 -1.413 0.000 1.129 211 T CB -1.135 66.735 68.868 -1.664 0.000 0.899 211 T HN 0.177 nan 8.240 nan 0.000 0.491 212 G N 1.394 109.974 108.800 -0.367 0.000 2.179 212 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.260 212 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.260 212 G C 0.326 175.089 174.900 -0.229 0.000 0.977 212 G CA 0.033 44.953 45.100 -0.300 0.000 0.641 212 G HN 1.301 nan 8.290 nan 0.000 0.533 213 A N 0.197 122.871 122.820 -0.243 0.000 2.454 213 A HA 0.739 5.059 4.320 -0.000 0.000 0.260 213 A C 0.748 178.326 177.584 -0.011 0.000 1.106 213 A CA 1.088 53.083 52.037 -0.069 0.000 0.780 213 A CB 0.457 19.468 19.000 0.019 0.000 1.044 213 A HN 2.052 nan 8.150 nan 0.000 0.498 214 A N 2.861 125.708 122.820 0.046 0.000 2.260 214 A HA 0.662 4.982 4.320 -0.000 0.000 0.314 214 A C 0.649 178.316 177.584 0.138 0.000 1.257 214 A CA 0.075 52.168 52.037 0.093 0.000 0.871 214 A CB 0.237 19.286 19.000 0.082 0.000 1.166 214 A HN 2.048 nan 8.150 nan 0.000 0.522 215 A N 2.837 125.793 122.820 0.228 0.000 2.511 215 A HA 0.507 4.827 4.320 -0.000 0.000 0.242 215 A C 1.078 178.704 177.584 0.071 0.000 1.069 215 A CA 0.552 52.705 52.037 0.193 0.000 0.763 215 A CB -0.402 18.824 19.000 0.376 0.000 1.001 215 A HN 1.495 nan 8.150 nan 0.000 0.498 216 T N 0.046 114.573 114.554 -0.044 0.000 2.788 216 T HA 0.251 4.601 4.350 -0.000 0.000 0.287 216 T C 1.257 175.918 174.700 -0.066 0.000 1.007 216 T CA 0.053 62.124 62.100 -0.049 0.000 1.005 216 T CB 0.617 69.436 68.868 -0.081 0.000 1.012 216 T HN 0.715 nan 8.240 nan 0.000 0.530 217 R N 0.073 120.547 120.500 -0.043 0.000 2.091 217 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 217 R C 2.365 178.617 176.300 -0.079 0.000 1.136 217 R CA 1.550 57.622 56.100 -0.046 0.000 0.959 217 R CB -0.303 29.982 30.300 -0.025 0.000 0.856 217 R HN 0.839 nan 8.270 nan 0.000 0.437 218 E N 0.712 120.855 120.200 -0.096 0.000 2.077 218 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 218 E C 1.827 178.317 176.600 -0.184 0.000 0.989 218 E CA 1.617 57.950 56.400 -0.112 0.000 0.800 218 E CB 0.027 29.666 29.700 -0.102 0.000 0.746 218 E HN 0.521 nan 8.360 nan 0.000 0.452 219 Q N -0.026 119.583 119.800 -0.319 0.000 2.079 219 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 219 Q C 2.545 178.342 176.000 -0.338 0.000 0.974 219 Q CA 1.141 56.557 55.803 -0.645 0.000 0.840 219 Q CB -0.048 27.965 28.738 -1.208 0.000 0.898 219 Q HN 0.290 nan 8.270 nan 0.000 0.430 220 L N 0.011 121.115 121.223 -0.197 0.000 2.083 220 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 220 L C 2.344 179.150 176.870 -0.107 0.000 1.083 220 L CA 1.077 55.838 54.840 -0.133 0.000 0.752 220 L CB -0.602 41.393 42.059 -0.106 0.000 0.899 220 L HN 0.263 nan 8.230 nan 0.000 0.433 221 T N -0.930 113.571 114.554 -0.088 0.000 2.746 221 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 221 T C 1.908 176.596 174.700 -0.020 0.000 1.039 221 T CA 1.263 63.332 62.100 -0.052 0.000 1.142 221 T CB -0.150 68.692 68.868 -0.044 0.000 0.866 221 T HN 0.378 nan 8.240 nan 0.000 0.444 222 Q N 0.049 119.841 119.800 -0.014 0.000 2.096 222 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 222 Q C 2.358 178.417 176.000 0.098 0.000 0.982 222 Q CA 1.126 56.962 55.803 0.056 0.000 0.850 222 Q CB -0.342 28.451 28.738 0.093 0.000 0.901 222 Q HN 0.332 nan 8.270 nan 0.000 0.422 223 L N 0.045 121.306 121.223 0.064 0.000 2.046 223 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 223 L C 2.110 179.005 176.870 0.042 0.000 1.077 223 L CA 1.402 56.248 54.840 0.011 0.000 0.747 223 L CB -0.403 41.540 42.059 -0.193 0.000 0.896 223 L HN -0.019 nan 8.230 nan 0.000 0.432 224 V N -0.335 119.570 119.914 -0.016 0.000 2.343 224 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 224 V C 2.485 178.593 176.094 0.023 0.000 1.051 224 V CA 1.994 64.283 62.300 -0.019 0.000 1.036 224 V CB -0.634 31.159 31.823 -0.051 0.000 0.654 224 V HN 0.496 nan 8.190 nan 0.000 0.451 225 E N -0.625 119.602 120.200 0.045 0.000 2.110 225 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 225 E C 2.005 178.657 176.600 0.087 0.000 0.988 225 E CA 1.599 58.031 56.400 0.054 0.000 0.804 225 E CB -0.229 29.504 29.700 0.056 0.000 0.745 225 E HN 0.644 nan 8.360 nan 0.000 0.458 226 F N 1.309 121.243 119.950 -0.026 0.000 2.102 226 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 226 F C 2.192 177.968 175.800 -0.040 0.000 1.105 226 F CA 1.468 59.452 58.000 -0.027 0.000 1.239 226 F CB -0.284 38.702 39.000 -0.024 0.000 0.991 226 F HN -0.052 nan 8.300 nan 0.000 0.474 227 A N 0.151 122.998 122.820 0.046 0.000 1.933 227 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 227 A C 2.293 179.802 177.584 -0.124 0.000 1.175 227 A CA 1.867 53.855 52.037 -0.083 0.000 0.628 227 A CB -0.844 18.146 19.000 -0.016 0.000 0.814 227 A HN 0.490 nan 8.150 nan 0.000 0.444 228 K N -0.010 120.345 120.400 -0.074 0.000 2.057 228 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 228 K C 2.205 178.750 176.600 -0.092 0.000 1.050 228 K CA 1.715 57.962 56.287 -0.066 0.000 0.935 228 K CB -0.187 32.292 32.500 -0.035 0.000 0.715 228 K HN 0.461 nan 8.250 nan 0.000 0.439 229 K N 0.247 120.578 120.400 -0.115 0.000 2.057 229 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 229 K C 1.245 177.738 176.600 -0.178 0.000 1.049 229 K CA 1.695 57.906 56.287 -0.126 0.000 0.931 229 K CB -0.008 32.420 32.500 -0.119 0.000 0.714 229 K HN 0.104 nan 8.250 nan 0.000 0.440 230 N N -0.102 118.427 118.700 -0.286 0.000 2.412 230 N HA 0.043 4.783 4.740 -0.000 0.000 0.184 230 N C 0.267 175.663 175.510 -0.190 0.000 1.101 230 N CA 0.980 53.850 53.050 -0.300 0.000 0.881 230 N CB 0.647 38.815 38.487 -0.531 0.000 0.969 230 N HN 0.458 nan 8.380 nan 0.000 0.459 231 G N 0.277 108.989 108.800 -0.147 0.000 2.295 231 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.287 231 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.287 231 G C -0.240 174.601 174.900 -0.098 0.000 1.055 231 G CA 0.485 45.528 45.100 -0.095 0.000 0.922 231 G HN 0.293 nan 8.290 nan 0.000 0.503 232 S N -1.002 114.622 115.700 -0.127 0.000 2.690 232 S HA 0.748 5.218 4.470 -0.000 0.000 0.291 232 S C 0.458 174.986 174.600 -0.121 0.000 1.138 232 S CA -0.598 57.524 58.200 -0.129 0.000 1.013 232 S CB 1.655 64.774 63.200 -0.135 0.000 1.053 232 S HN 0.376 nan 8.310 nan 0.000 0.539 233 I N 1.946 122.417 120.570 -0.165 0.000 2.339 233 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 233 I C -0.686 175.308 176.117 -0.203 0.000 0.994 233 I CA -0.383 60.815 61.300 -0.171 0.000 1.191 233 I CB 0.914 38.792 38.000 -0.203 0.000 1.343 233 I HN 0.427 nan 8.210 nan 0.000 0.458 234 I N 6.872 127.359 120.570 -0.138 0.000 2.371 234 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 234 I C -0.236 175.798 176.117 -0.138 0.000 1.028 234 I CA -0.540 60.684 61.300 -0.128 0.000 1.345 234 I CB 1.242 39.199 38.000 -0.071 0.000 1.407 234 I HN 0.205 nan 8.210 nan 0.000 0.501 235 V N 7.547 127.320 119.914 -0.235 0.000 2.318 235 V HA 0.135 4.255 4.120 -0.000 0.000 0.271 235 V C -0.549 175.534 176.094 -0.018 0.000 1.030 235 V CA -0.595 61.597 62.300 -0.180 0.000 0.844 235 V CB 0.406 31.981 31.823 -0.413 0.000 1.015 235 V HN 0.436 nan 8.190 nan 0.000 0.460 236 Y N 3.881 124.128 120.300 -0.089 0.000 2.367 236 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 236 Y C 0.188 176.083 175.900 -0.008 0.000 0.979 236 Y CA -0.681 57.408 58.100 -0.019 0.000 1.161 236 Y CB 1.042 39.447 38.460 -0.091 0.000 1.155 236 Y HN 0.637 nan 8.280 nan 0.000 0.503 237 D N 3.621 123.856 120.400 -0.276 0.000 2.373 237 D HA 0.120 4.760 4.640 -0.000 0.000 0.227 237 D C -0.174 175.934 176.300 -0.320 0.000 1.091 237 D CA -0.124 53.762 54.000 -0.189 0.000 0.840 237 D CB 0.981 41.777 40.800 -0.006 0.000 1.060 237 D HN 0.573 nan 8.370 nan 0.000 0.502 238 S N 2.135 117.705 115.700 -0.217 0.000 2.561 238 S HA 0.310 4.780 4.470 -0.000 0.000 0.245 238 S C 1.544 176.056 174.600 -0.146 0.000 1.001 238 S CA -0.090 58.038 58.200 -0.120 0.000 1.002 238 S CB 0.635 63.896 63.200 0.101 0.000 0.805 238 S HN 0.379 nan 8.310 nan 0.000 0.458 239 A N 0.880 123.516 122.820 -0.307 0.000 2.024 239 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 239 A C 1.193 178.403 177.584 -0.623 0.000 1.164 239 A CA 1.145 52.829 52.037 -0.588 0.000 0.643 239 A CB -0.742 17.799 19.000 -0.764 0.000 0.806 239 A HN 0.722 nan 8.150 nan 0.000 0.451 240 Y N -1.742 118.586 120.300 0.047 0.000 2.584 240 Y HA 0.476 5.026 4.550 -0.000 0.000 0.254 240 Y C 2.138 178.261 175.900 0.371 0.000 1.177 240 Y CA -0.296 57.952 58.100 0.247 0.000 1.216 240 Y CB -0.267 38.220 38.460 0.046 0.000 1.172 240 Y HN 0.255 nan 8.280 nan 0.000 0.529 241 A N 0.219 123.266 122.820 0.379 0.000 1.972 241 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 241 A C 2.045 179.762 177.584 0.221 0.000 1.169 241 A CA 1.476 53.677 52.037 0.274 0.000 0.635 241 A CB -0.491 18.638 19.000 0.214 0.000 0.810 241 A HN 0.469 nan 8.150 nan 0.000 0.446 242 M N -1.787 117.906 119.600 0.156 0.000 2.630 242 M HA -0.060 4.420 4.480 -0.000 0.000 0.254 242 M C 0.912 177.146 176.300 -0.110 0.000 1.092 242 M CA 0.847 56.048 55.300 -0.166 0.000 1.087 242 M CB -0.168 31.937 32.600 -0.826 0.000 1.453 242 M HN 0.562 nan 8.290 nan 0.000 0.509 243 Y N -0.759 119.626 120.300 0.142 0.000 2.490 243 Y HA 0.111 4.660 4.550 -0.000 0.000 0.281 243 Y C 0.862 176.797 175.900 0.057 0.000 1.174 243 Y CA -0.233 57.935 58.100 0.113 0.000 1.295 243 Y CB -0.174 38.365 38.460 0.132 0.000 1.062 243 Y HN 0.142 nan 8.280 nan 0.000 0.522 244 M N -0.189 119.512 119.600 0.168 0.000 2.284 244 M HA -0.074 4.406 4.480 -0.000 0.000 0.351 244 M C 1.037 177.384 176.300 0.080 0.000 1.443 244 M CA 0.738 56.105 55.300 0.113 0.000 1.031 244 M CB 0.543 33.206 32.600 0.105 0.000 1.893 244 M HN 0.008 nan 8.290 nan 0.000 0.456 245 S N 1.548 117.288 115.700 0.067 0.000 2.566 245 S HA 0.151 4.621 4.470 -0.000 0.000 0.234 245 S C -0.034 174.594 174.600 0.046 0.000 1.075 245 S CA -0.246 57.985 58.200 0.052 0.000 0.926 245 S CB 0.203 63.430 63.200 0.045 0.000 0.811 245 S HN 0.730 nan 8.310 nan 0.000 0.518 246 D N 2.517 122.944 120.400 0.045 0.000 2.378 246 D HA 0.082 4.722 4.640 -0.000 0.000 0.238 246 D C -0.320 176.006 176.300 0.043 0.000 1.180 246 D CA 0.273 54.298 54.000 0.041 0.000 0.895 246 D CB 0.314 41.139 40.800 0.041 0.000 1.192 246 D HN 0.043 nan 8.370 nan 0.000 0.438 247 D N 1.119 121.541 120.400 0.036 0.000 2.558 247 D HA 0.078 4.718 4.640 -0.000 0.000 0.221 247 D C -0.854 175.468 176.300 0.036 0.000 1.143 247 D CA -0.183 53.838 54.000 0.034 0.000 1.010 247 D CB -0.847 39.968 40.800 0.025 0.000 1.068 247 D HN 0.226 nan 8.370 nan 0.000 0.511 248 N N 1.793 120.522 118.700 0.049 0.000 2.335 248 N HA 0.459 5.199 4.740 -0.000 0.000 0.304 248 N C -2.574 172.979 175.510 0.072 0.000 1.135 248 N CA -1.800 51.284 53.050 0.057 0.000 0.817 248 N CB 1.649 40.179 38.487 0.072 0.000 1.294 248 N HN 0.052 nan 8.380 nan 0.000 0.497 249 P HA 0.057 nan 4.420 nan 0.000 0.266 249 P C -0.141 177.241 177.300 0.137 0.000 1.195 249 P CA 0.197 63.347 63.100 0.082 0.000 0.768 249 P CB 0.792 32.520 31.700 0.048 0.000 0.838 250 R N 0.288 120.874 120.500 0.144 0.000 2.265 250 R HA 0.179 4.519 4.340 -0.000 0.000 0.194 250 R C 0.615 177.072 176.300 0.261 0.000 0.931 250 R CA 0.365 56.582 56.100 0.195 0.000 1.032 250 R CB 0.376 30.769 30.300 0.155 0.000 0.980 250 R HN 0.384 nan 8.270 nan 0.000 0.497 251 S N -0.149 115.665 115.700 0.190 0.000 2.521 251 S HA 0.204 4.674 4.470 -0.000 0.000 0.295 251 S C 0.554 175.042 174.600 -0.187 0.000 1.098 251 S CA -0.694 57.602 58.200 0.160 0.000 0.999 251 S CB 1.527 64.949 63.200 0.370 0.000 1.034 251 S HN 0.093 nan 8.310 nan 0.000 0.483 252 I N 4.129 124.243 120.570 -0.760 0.000 2.423 252 I HA 0.014 4.184 4.170 -0.000 0.000 0.254 252 I C 0.922 176.729 176.117 -0.516 0.000 1.151 252 I CA 1.491 62.207 61.300 -0.972 0.000 1.421 252 I CB -0.451 36.708 38.000 -1.402 0.000 1.079 252 I HN 0.739 nan 8.210 nan 0.000 0.431 253 F N 0.660 120.567 119.950 -0.073 0.000 2.699 253 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 253 F C 2.207 178.014 175.800 0.012 0.000 1.154 253 F CA 0.523 58.518 58.000 -0.008 0.000 1.457 253 F CB -0.951 38.081 39.000 0.055 0.000 1.106 253 F HN 0.192 nan 8.300 nan 0.000 0.585 254 E N 0.090 120.365 120.200 0.125 0.000 2.338 254 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 254 E C 0.349 176.969 176.600 0.033 0.000 1.007 254 E CA 0.391 56.839 56.400 0.081 0.000 0.849 254 E CB 0.126 29.859 29.700 0.055 0.000 0.774 254 E HN 0.170 nan 8.360 nan 0.000 0.506 255 I N 2.612 123.178 120.570 -0.006 0.000 2.301 255 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 255 I C -2.324 173.799 176.117 0.010 0.000 1.046 255 I CA -3.191 58.096 61.300 -0.023 0.000 1.282 255 I CB 0.202 38.155 38.000 -0.078 0.000 1.409 255 I HN -0.314 nan 8.210 nan 0.000 0.484 256 P HA 0.165 nan 4.420 nan 0.000 0.262 256 P C 0.958 178.267 177.300 0.015 0.000 1.182 256 P CA 0.707 63.821 63.100 0.022 0.000 0.761 256 P CB 0.642 32.350 31.700 0.014 0.000 0.795 257 G N 2.803 111.618 108.800 0.025 0.000 2.234 257 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.235 257 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.235 257 G C 1.216 176.132 174.900 0.027 0.000 0.997 257 G CA 0.384 45.495 45.100 0.017 0.000 0.623 257 G HN 0.653 nan 8.290 nan 0.000 0.514 258 A N 1.182 124.027 122.820 0.042 0.000 2.024 258 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 258 A C 2.107 179.788 177.584 0.161 0.000 1.164 258 A CA 2.315 54.381 52.037 0.049 0.000 0.643 258 A CB -0.402 18.597 19.000 -0.001 0.000 0.806 258 A HN 1.006 nan 8.150 nan 0.000 0.451 259 E N 0.620 120.926 120.200 0.177 0.000 2.338 259 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 259 E C 1.042 177.679 176.600 0.061 0.000 1.007 259 E CA 1.429 57.908 56.400 0.130 0.000 0.849 259 E CB -0.399 29.314 29.700 0.022 0.000 0.774 259 E HN 0.783 nan 8.360 nan 0.000 0.506 260 E N 0.308 120.531 120.200 0.039 0.000 2.452 260 E HA 0.022 4.372 4.350 -0.000 0.000 0.197 260 E C 1.499 178.097 176.600 -0.003 0.000 1.022 260 E CA 0.723 57.127 56.400 0.007 0.000 0.890 260 E CB 0.884 30.583 29.700 -0.002 0.000 0.918 260 E HN 0.296 nan 8.360 nan 0.000 0.496 261 V N -4.033 115.884 119.914 0.006 0.000 3.392 261 V HA 0.570 4.690 4.120 -0.000 0.000 0.294 261 V C 0.156 176.232 176.094 -0.030 0.000 1.561 261 V CA -0.180 62.105 62.300 -0.025 0.000 1.056 261 V CB 0.643 32.442 31.823 -0.039 0.000 0.882 261 V HN 0.037 nan 8.190 nan 0.000 0.440 262 A N 2.007 124.837 122.820 0.016 0.000 2.498 262 A HA 0.987 5.307 4.320 -0.000 0.000 0.298 262 A C -0.661 176.981 177.584 0.096 0.000 1.075 262 A CA -0.584 51.442 52.037 -0.019 0.000 0.714 262 A CB 2.065 20.961 19.000 -0.172 0.000 1.299 262 A HN 0.732 nan 8.150 nan 0.000 0.407 263 M N 0.021 119.642 119.600 0.034 0.000 2.727 263 M HA 0.875 5.355 4.480 -0.000 0.000 0.300 263 M C -0.680 175.643 176.300 0.039 0.000 1.246 263 M CA -0.517 54.861 55.300 0.131 0.000 0.835 263 M CB 2.049 34.664 32.600 0.026 0.000 1.755 263 M HN 0.676 nan 8.290 nan 0.000 0.473 264 E N 0.291 120.568 120.200 0.127 0.000 2.272 264 E HA 0.506 4.856 4.350 -0.000 0.000 0.269 264 E C -1.832 174.807 176.600 0.065 0.000 0.877 264 E CA -0.523 55.948 56.400 0.118 0.000 0.755 264 E CB 2.615 32.423 29.700 0.180 0.000 1.192 264 E HN 0.803 nan 8.360 nan 0.000 0.422 265 T N 1.838 116.376 114.554 -0.028 0.000 2.863 265 T HA 0.850 5.200 4.350 -0.000 0.000 0.285 265 T C -1.297 173.184 174.700 -0.365 0.000 1.009 265 T CA -0.007 61.985 62.100 -0.179 0.000 0.989 265 T CB 1.301 70.109 68.868 -0.101 0.000 1.004 265 T HN 0.607 nan 8.240 nan 0.000 0.455 266 A N 2.585 124.949 122.820 -0.761 0.000 2.529 266 A HA 0.935 5.254 4.320 -0.000 0.000 0.296 266 A C -0.777 176.111 177.584 -1.159 0.000 1.205 266 A CA -0.653 50.768 52.037 -1.027 0.000 0.671 266 A CB 1.486 19.719 19.000 -1.278 0.000 1.301 266 A HN 1.004 nan 8.150 nan 0.000 0.450 267 S N -1.970 113.068 115.700 -1.103 0.000 2.565 267 S HA 0.613 5.082 4.470 -0.000 0.000 0.269 267 S C -1.053 173.186 174.600 -0.602 0.000 1.153 267 S CA -0.406 57.413 58.200 -0.635 0.000 0.835 267 S CB 0.617 63.560 63.200 -0.429 0.000 1.122 267 S HN 0.733 nan 8.310 nan 0.000 0.462 268 F N 1.805 121.720 119.950 -0.058 0.000 2.797 268 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 268 F C 2.399 178.127 175.800 -0.120 0.000 1.130 268 F CA 0.250 58.209 58.000 -0.068 0.000 1.387 268 F CB 0.015 38.926 39.000 -0.149 0.000 1.107 268 F HN 0.513 nan 8.300 nan 0.000 0.577 269 S N 0.437 116.136 115.700 -0.002 0.000 2.359 269 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 269 S C 1.773 176.353 174.600 -0.035 0.000 1.039 269 S CA 1.628 59.840 58.200 0.019 0.000 1.042 269 S CB -0.254 62.896 63.200 -0.082 0.000 0.915 269 S HN 0.427 nan 8.310 nan 0.000 0.439 270 N N -0.384 118.202 118.700 -0.190 0.000 2.336 270 N HA 0.091 4.831 4.740 -0.000 0.000 0.189 270 N C 0.432 176.199 175.510 0.429 0.000 1.113 270 N CA 0.436 53.522 53.050 0.060 0.000 0.858 270 N CB 0.115 38.651 38.487 0.081 0.000 0.970 270 N HN 0.435 nan 8.380 nan 0.000 0.471 271 Y N 0.002 120.436 120.300 0.224 0.000 2.559 271 Y HA 0.402 4.951 4.550 -0.000 0.000 0.279 271 Y C 1.896 177.906 175.900 0.183 0.000 1.117 271 Y CA -0.468 57.753 58.100 0.202 0.000 1.263 271 Y CB -0.221 38.336 38.460 0.161 0.000 1.230 271 Y HN -0.043 nan 8.280 nan 0.000 0.528 272 A N -1.026 121.970 122.820 0.294 0.000 2.469 272 A HA 0.546 4.866 4.320 -0.000 0.000 0.245 272 A C 1.617 179.370 177.584 0.281 0.000 1.221 272 A CA 0.433 52.568 52.037 0.163 0.000 0.946 272 A CB -0.434 18.430 19.000 -0.225 0.000 1.049 272 A HN 0.494 nan 8.150 nan 0.000 0.529 273 G N -1.056 107.912 108.800 0.280 0.000 2.160 273 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 273 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 273 G C 0.140 175.252 174.900 0.353 0.000 1.022 273 G CA 0.304 45.552 45.100 0.247 0.000 0.741 273 G HN 0.338 nan 8.290 nan 0.000 0.508 274 F N 1.777 121.779 119.950 0.087 0.000 2.725 274 F HA 0.129 4.656 4.527 -0.000 0.000 0.303 274 F C 2.629 178.455 175.800 0.044 0.000 1.167 274 F CA 0.806 58.855 58.000 0.082 0.000 1.403 274 F CB -0.573 38.518 39.000 0.152 0.000 1.077 274 F HN 0.340 nan 8.300 nan 0.000 0.537 275 T N -3.374 111.269 114.554 0.149 0.000 2.737 275 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 275 T C 2.306 177.030 174.700 0.040 0.000 1.040 275 T CA 1.542 63.675 62.100 0.055 0.000 1.142 275 T CB -0.625 68.239 68.868 -0.007 0.000 0.861 275 T HN 0.335 nan 8.240 nan 0.000 0.456 276 G N -0.132 108.682 108.800 0.022 0.000 2.796 276 G HA2 0.240 4.200 3.960 -0.000 0.000 0.210 276 G HA3 0.240 4.200 3.960 -0.000 0.000 0.210 276 G C 1.468 176.337 174.900 -0.052 0.000 1.146 276 G CA 0.328 45.423 45.100 -0.007 0.000 0.779 276 G HN 0.475 nan 8.290 nan 0.000 0.535 277 V N 0.142 119.981 119.914 -0.125 0.000 2.535 277 V HA 0.124 4.244 4.120 -0.000 0.000 0.246 277 V C 0.819 176.828 176.094 -0.141 0.000 1.045 277 V CA 0.395 62.522 62.300 -0.289 0.000 1.058 277 V CB -0.506 30.790 31.823 -0.878 0.000 0.689 277 V HN 0.417 nan 8.190 nan 0.000 0.461 278 R N 0.347 120.854 120.500 0.012 0.000 2.093 278 R HA -0.063 4.276 4.340 -0.000 0.000 0.372 278 R C -1.152 175.289 176.300 0.234 0.000 1.105 278 R CA 0.243 56.420 56.100 0.127 0.000 0.794 278 R CB -1.750 28.606 30.300 0.094 0.000 2.512 278 R HN 0.309 nan 8.270 nan 0.000 0.483 279 L N 0.876 122.329 121.223 0.383 0.000 2.676 279 L HA 0.730 5.070 4.340 -0.000 0.000 0.262 279 L C 0.155 177.358 176.870 0.554 0.000 0.932 279 L CA 0.445 55.580 54.840 0.492 0.000 0.932 279 L CB 2.083 44.504 42.059 0.602 0.000 1.355 279 L HN 0.743 nan 8.230 nan 0.000 0.421 280 G N 2.955 112.030 108.800 0.458 0.000 3.021 280 G HA2 0.776 4.736 3.960 -0.000 0.000 0.290 280 G HA3 0.776 4.736 3.960 -0.000 0.000 0.290 280 G C -2.158 173.067 174.900 0.541 0.000 1.291 280 G CA -0.163 45.145 45.100 0.348 0.000 0.834 280 G HN 0.730 nan 8.290 nan 0.000 0.564 281 W N -1.981 119.419 121.300 0.166 0.000 3.059 281 W HA 0.744 5.404 4.660 -0.000 0.000 0.329 281 W C -1.302 175.326 176.519 0.183 0.000 1.246 281 W CA -1.048 56.430 57.345 0.222 0.000 1.190 281 W CB 0.917 30.531 29.460 0.256 0.000 1.423 281 W HN 0.599 nan 8.180 nan 0.000 0.571 282 T N 1.762 116.567 114.554 0.419 0.000 2.876 282 T HA 0.606 4.956 4.350 -0.000 0.000 0.289 282 T C -1.415 173.552 174.700 0.445 0.000 1.014 282 T CA -0.631 61.617 62.100 0.245 0.000 0.986 282 T CB 1.881 70.752 68.868 0.004 0.000 1.021 282 T HN 0.439 nan 8.240 nan 0.000 0.458 283 V N 4.087 124.195 119.914 0.323 0.000 2.409 283 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 283 V C -0.499 175.715 176.094 0.200 0.000 1.020 283 V CA -0.717 61.736 62.300 0.254 0.000 0.848 283 V CB 1.284 33.151 31.823 0.074 0.000 0.990 283 V HN 0.755 nan 8.190 nan 0.000 0.430 284 I N 7.542 128.227 120.570 0.192 0.000 2.411 284 I HA 0.408 4.578 4.170 -0.000 0.000 0.284 284 I C -2.358 173.784 176.117 0.041 0.000 1.012 284 I CA -1.876 59.489 61.300 0.109 0.000 1.119 284 I CB 2.562 40.593 38.000 0.053 0.000 1.261 284 I HN 0.427 nan 8.210 nan 0.000 0.448 285 P HA 0.217 nan 4.420 nan 0.000 0.276 285 P C -0.033 177.225 177.300 -0.069 0.000 1.252 285 P CA -0.479 62.531 63.100 -0.150 0.000 0.802 285 P CB 1.360 32.923 31.700 -0.229 0.000 1.035 286 K N 0.603 120.955 120.400 -0.081 0.000 2.209 286 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 286 K C 1.559 178.125 176.600 -0.056 0.000 1.048 286 K CA 1.452 57.704 56.287 -0.059 0.000 0.940 286 K CB -0.127 32.336 32.500 -0.061 0.000 0.729 286 K HN 0.422 nan 8.250 nan 0.000 0.451 287 K N 0.660 121.028 120.400 -0.053 0.000 2.444 287 K HA 0.029 4.349 4.320 -0.000 0.000 0.193 287 K C -0.162 176.417 176.600 -0.036 0.000 1.024 287 K CA -0.121 56.143 56.287 -0.039 0.000 1.077 287 K CB 0.184 32.666 32.500 -0.030 0.000 0.833 287 K HN -0.037 nan 8.250 nan 0.000 0.517 288 L N 2.191 123.387 121.223 -0.043 0.000 2.295 288 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 288 L C -0.991 175.818 176.870 -0.102 0.000 1.079 288 L CA 0.088 54.892 54.840 -0.059 0.000 0.830 288 L CB 0.142 42.170 42.059 -0.051 0.000 1.200 288 L HN -0.039 nan 8.230 nan 0.000 0.438 289 L N 4.925 126.097 121.223 -0.085 0.000 2.381 289 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 289 L C -0.592 176.261 176.870 -0.027 0.000 0.997 289 L CA -1.030 53.777 54.840 -0.054 0.000 0.818 289 L CB 1.495 43.560 42.059 0.009 0.000 1.310 289 L HN 0.338 nan 8.230 nan 0.000 0.416 290 Y N 0.262 120.635 120.300 0.121 0.000 2.279 290 Y HA -0.075 4.475 4.550 -0.000 0.000 0.350 290 Y C 1.858 177.805 175.900 0.078 0.000 1.288 290 Y CA 0.418 58.586 58.100 0.112 0.000 1.547 290 Y CB 0.650 39.206 38.460 0.161 0.000 1.381 290 Y HN 0.720 nan 8.280 nan 0.000 0.630 291 S N -0.794 115.063 115.700 0.261 0.000 2.474 291 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 291 S C 0.874 175.544 174.600 0.116 0.000 0.997 291 S CA 1.178 59.458 58.200 0.133 0.000 0.949 291 S CB -0.494 62.757 63.200 0.084 0.000 0.766 291 S HN 0.767 nan 8.310 nan 0.000 0.517 292 D N 0.066 120.556 120.400 0.151 0.000 2.328 292 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 292 D C 1.389 177.786 176.300 0.162 0.000 1.072 292 D CA 0.488 54.564 54.000 0.128 0.000 0.850 292 D CB -0.569 40.291 40.800 0.101 0.000 0.922 292 D HN 0.545 nan 8.370 nan 0.000 0.516 293 G N -0.150 108.757 108.800 0.178 0.000 2.176 293 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 293 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 293 G C -0.056 174.952 174.900 0.180 0.000 0.979 293 G CA -0.026 45.160 45.100 0.143 0.000 0.641 293 G HN 0.409 nan 8.290 nan 0.000 0.530 294 F N 3.245 123.283 119.950 0.146 0.000 2.495 294 F HA 0.539 5.065 4.527 -0.000 0.000 0.365 294 F C -1.706 174.186 175.800 0.154 0.000 1.090 294 F CA -2.057 56.044 58.000 0.167 0.000 1.235 294 F CB 1.033 40.165 39.000 0.220 0.000 1.119 294 F HN -0.063 nan 8.300 nan 0.000 0.562 295 P HA 0.025 nan 4.420 nan 0.000 0.271 295 P C 0.694 177.942 177.300 -0.086 0.000 1.226 295 P CA 0.023 62.983 63.100 -0.234 0.000 0.765 295 P CB 1.050 32.574 31.700 -0.293 0.000 0.835 296 V N 3.715 123.552 119.914 -0.128 0.000 2.392 296 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 296 V C 2.396 178.512 176.094 0.037 0.000 1.059 296 V CA 2.665 64.875 62.300 -0.150 0.000 1.051 296 V CB -1.545 30.062 31.823 -0.360 0.000 0.658 296 V HN 0.626 nan 8.190 nan 0.000 0.455 297 A N -0.474 122.363 122.820 0.028 0.000 1.978 297 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 297 A C 2.309 180.019 177.584 0.211 0.000 1.170 297 A CA 1.980 54.101 52.037 0.141 0.000 0.636 297 A CB -0.421 18.716 19.000 0.228 0.000 0.810 297 A HN 0.565 nan 8.150 nan 0.000 0.448 298 K N -0.699 119.785 120.400 0.140 0.000 2.103 298 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 298 K C 1.317 178.105 176.600 0.313 0.000 1.052 298 K CA 1.274 57.667 56.287 0.176 0.000 0.945 298 K CB -0.133 32.342 32.500 -0.041 0.000 0.722 298 K HN 0.345 nan 8.250 nan 0.000 0.443 299 D N 0.186 120.843 120.400 0.428 0.000 2.149 299 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 299 D C 1.543 177.952 176.300 0.182 0.000 0.972 299 D CA 0.694 54.894 54.000 0.333 0.000 0.835 299 D CB -0.084 40.953 40.800 0.396 0.000 0.966 299 D HN 0.020 nan 8.370 nan 0.000 0.476 300 F N 1.881 121.802 119.950 -0.049 0.000 2.134 300 F HA -0.140 4.387 4.527 0.000 0.000 0.299 300 F C 1.967 177.663 175.800 -0.173 0.000 1.097 300 F CA 1.097 58.952 58.000 -0.243 0.000 1.264 300 F CB -0.341 38.336 39.000 -0.538 0.000 1.001 300 F HN -0.063 nan 8.300 nan 0.000 0.479 301 N N 0.418 119.124 118.700 0.009 0.000 2.104 301 N HA -0.262 4.478 4.740 -0.000 0.000 0.190 301 N C 2.150 177.675 175.510 0.026 0.000 1.024 301 N CA 1.264 54.395 53.050 0.135 0.000 0.853 301 N CB -0.225 38.446 38.487 0.307 0.000 1.008 301 N HN 0.174 nan 8.380 nan 0.000 0.424 302 R N 1.128 121.652 120.500 0.041 0.000 2.081 302 R HA 0.029 4.369 4.340 -0.000 0.000 0.235 302 R C 2.238 178.511 176.300 -0.044 0.000 1.131 302 R CA 0.927 57.040 56.100 0.022 0.000 0.960 302 R CB -0.653 29.682 30.300 0.058 0.000 0.856 302 R HN 0.259 nan 8.270 nan 0.000 0.436 303 I N 1.164 121.665 120.570 -0.114 0.000 2.208 303 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 303 I C 2.123 178.121 176.117 -0.198 0.000 1.097 303 I CA 1.417 62.617 61.300 -0.167 0.000 1.363 303 I CB -1.028 36.836 38.000 -0.227 0.000 1.051 303 I HN 0.298 nan 8.210 nan 0.000 0.413 304 I N -1.938 118.441 120.570 -0.319 0.000 2.928 304 I HA -0.085 4.085 4.170 -0.000 0.000 0.266 304 I C 2.358 178.508 176.117 0.056 0.000 1.234 304 I CA 1.014 62.237 61.300 -0.128 0.000 1.483 304 I CB -1.137 36.753 38.000 -0.182 0.000 1.097 304 I HN -0.005 nan 8.210 nan 0.000 0.455 305 C N 0.678 119.981 119.300 0.004 0.000 2.495 305 C HA 0.094 4.554 4.460 -0.000 0.000 0.275 305 C C 2.563 177.547 174.990 -0.010 0.000 1.392 305 C CA 1.168 60.190 59.018 0.006 0.000 1.766 305 C CB -1.123 26.622 27.740 0.008 0.000 1.933 305 C HN 0.613 nan 8.230 nan 0.000 0.519 306 T N -1.519 113.031 114.554 -0.007 0.000 3.034 306 T HA 0.003 4.353 4.350 -0.000 0.000 0.248 306 T C 1.277 175.983 174.700 0.010 0.000 1.040 306 T CA 0.846 62.941 62.100 -0.008 0.000 1.107 306 T CB -0.047 68.814 68.868 -0.012 0.000 0.932 306 T HN 0.509 nan 8.240 nan 0.000 0.474 307 C N 1.135 120.454 119.300 0.032 0.000 3.183 307 C HA 0.603 5.063 4.460 -0.000 0.000 0.285 307 C C -0.177 174.915 174.990 0.170 0.000 1.313 307 C CA -0.999 58.054 59.018 0.059 0.000 1.711 307 C CB -1.210 26.540 27.740 0.016 0.000 2.135 307 C HN 0.450 nan 8.230 nan 0.000 0.651 308 F N 0.933 120.858 119.950 -0.041 0.000 2.631 308 F HA 0.479 5.006 4.527 0.000 0.000 0.308 308 F C -0.370 175.427 175.800 -0.005 0.000 1.097 308 F CA -0.902 57.089 58.000 -0.016 0.000 0.952 308 F CB 1.132 40.113 39.000 -0.031 0.000 1.307 308 F HN -0.241 nan 8.300 nan 0.000 0.450 309 N N 1.835 120.240 118.700 -0.491 0.000 2.291 309 N HA 0.413 5.153 4.740 -0.000 0.000 0.244 309 N C -0.329 174.835 175.510 -0.578 0.000 1.216 309 N CA 0.725 53.542 53.050 -0.389 0.000 0.879 309 N CB 1.048 39.473 38.487 -0.105 0.000 1.167 309 N HN 1.054 nan 8.380 nan 0.000 0.515 310 G N 0.119 108.100 108.800 -1.364 0.000 2.663 310 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 310 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 310 G C -0.469 174.068 174.900 -0.605 0.000 1.246 310 G CA -0.534 44.067 45.100 -0.830 0.000 0.795 310 G HN 0.334 nan 8.290 nan 0.000 0.627 311 A N 0.679 123.493 122.820 -0.011 0.000 2.366 311 A HA 0.787 5.107 4.320 -0.000 0.000 0.249 311 A C 1.322 178.939 177.584 0.054 0.000 1.084 311 A CA 1.181 53.325 52.037 0.178 0.000 0.794 311 A CB 0.607 19.785 19.000 0.297 0.000 1.034 311 A HN 2.476 nan 8.150 nan 0.000 0.491 312 S N 0.549 116.286 115.700 0.062 0.000 2.552 312 S HA -0.021 4.449 4.470 -0.000 0.000 0.289 312 S C 1.413 176.016 174.600 0.006 0.000 1.304 312 S CA 0.075 58.282 58.200 0.012 0.000 1.063 312 S CB -0.086 63.117 63.200 0.004 0.000 0.848 312 S HN 0.863 nan 8.310 nan 0.000 0.499 313 N N 5.934 124.618 118.700 -0.026 0.000 2.149 313 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 313 N C 1.454 176.947 175.510 -0.027 0.000 1.019 313 N CA 1.932 54.962 53.050 -0.033 0.000 0.857 313 N CB -0.680 37.761 38.487 -0.076 0.000 0.997 313 N HN 0.715 nan 8.380 nan 0.000 0.426 314 I N 0.292 120.839 120.570 -0.038 0.000 2.252 314 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 314 I C 1.904 177.997 176.117 -0.039 0.000 1.102 314 I CA 0.897 62.169 61.300 -0.046 0.000 1.385 314 I CB -0.269 37.691 38.000 -0.066 0.000 1.064 314 I HN 0.092 nan 8.210 nan 0.000 0.414 315 S N 0.237 115.916 115.700 -0.035 0.000 2.382 315 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 315 S C 1.943 176.597 174.600 0.091 0.000 1.027 315 S CA 1.202 59.390 58.200 -0.020 0.000 0.991 315 S CB -0.289 62.913 63.200 0.004 0.000 0.823 315 S HN 0.473 nan 8.310 nan 0.000 0.469 316 Q N 0.744 120.590 119.800 0.078 0.000 2.124 316 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 316 Q C 2.522 178.550 176.000 0.047 0.000 0.977 316 Q CA 1.327 57.181 55.803 0.084 0.000 0.850 316 Q CB -0.363 28.419 28.738 0.074 0.000 0.901 316 Q HN 0.613 nan 8.270 nan 0.000 0.429 317 A N 0.914 123.750 122.820 0.027 0.000 1.930 317 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 317 A C 2.265 179.867 177.584 0.031 0.000 1.175 317 A CA 1.548 53.595 52.037 0.016 0.000 0.627 317 A CB -1.035 17.966 19.000 0.001 0.000 0.815 317 A HN 0.472 nan 8.150 nan 0.000 0.443 318 G N -0.421 108.422 108.800 0.072 0.000 2.421 318 G HA2 0.005 3.965 3.960 -0.000 0.000 0.216 318 G HA3 0.005 3.965 3.960 -0.000 0.000 0.216 318 G C 1.749 176.697 174.900 0.081 0.000 1.171 318 G CA 1.401 46.607 45.100 0.177 0.000 0.775 318 G HN 0.779 nan 8.290 nan 0.000 0.543 319 A N 0.315 123.120 122.820 -0.024 0.000 1.933 319 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 319 A C 2.353 179.773 177.584 -0.273 0.000 1.175 319 A CA 1.611 53.347 52.037 -0.501 0.000 0.628 319 A CB -0.430 18.287 19.000 -0.472 0.000 0.814 319 A HN 0.402 nan 8.150 nan 0.000 0.444 320 L N -0.262 120.908 121.223 -0.088 0.000 2.046 320 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 320 L C 2.663 179.509 176.870 -0.040 0.000 1.077 320 L CA 2.113 56.930 54.840 -0.039 0.000 0.747 320 L CB -0.568 41.485 42.059 -0.011 0.000 0.896 320 L HN 0.343 nan 8.230 nan 0.000 0.432 321 A N -1.866 120.932 122.820 -0.036 0.000 2.015 321 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 321 A C 2.354 179.921 177.584 -0.029 0.000 1.163 321 A CA 1.457 53.483 52.037 -0.018 0.000 0.646 321 A CB -1.355 17.650 19.000 0.008 0.000 0.806 321 A HN 0.617 nan 8.150 nan 0.000 0.448 322 C N -0.706 118.547 119.300 -0.078 0.000 2.425 322 C HA 0.002 4.462 4.460 -0.000 0.000 0.277 322 C C 1.517 176.524 174.990 0.027 0.000 1.280 322 C CA 0.396 59.389 59.018 -0.041 0.000 1.744 322 C CB -1.249 26.412 27.740 -0.132 0.000 1.989 322 C HN 0.528 nan 8.230 nan 0.000 0.491 323 L N 1.932 123.160 121.223 0.008 0.000 2.865 323 L HA 0.219 4.559 4.340 -0.000 0.000 0.233 323 L C 0.505 177.345 176.870 -0.049 0.000 1.320 323 L CA 0.129 54.957 54.840 -0.020 0.000 1.225 323 L CB -1.036 41.012 42.059 -0.018 0.000 1.542 323 L HN 0.479 nan 8.230 nan 0.000 0.432 324 T N -5.089 109.441 114.554 -0.038 0.000 2.883 324 T HA 0.440 4.790 4.350 -0.000 0.000 0.296 324 T C -2.329 172.348 174.700 -0.039 0.000 1.117 324 T CA -1.754 60.322 62.100 -0.038 0.000 1.006 324 T CB 2.292 71.146 68.868 -0.023 0.000 1.191 324 T HN -0.237 nan 8.240 nan 0.000 0.508 325 P HA -0.105 nan 4.420 nan 0.000 0.215 325 P C 1.365 178.650 177.300 -0.024 0.000 1.157 325 P CA 1.193 64.270 63.100 -0.039 0.000 0.874 325 P CB 0.181 31.860 31.700 -0.035 0.000 0.790 326 E N -0.847 119.345 120.200 -0.014 0.000 2.106 326 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 326 E C 2.186 178.791 176.600 0.008 0.000 0.984 326 E CA 1.224 57.623 56.400 -0.002 0.000 0.806 326 E CB -0.819 28.882 29.700 0.001 0.000 0.750 326 E HN 0.146 nan 8.360 nan 0.000 0.458 327 G N 0.958 109.762 108.800 0.007 0.000 2.402 327 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 327 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 327 G C 1.539 176.460 174.900 0.035 0.000 1.162 327 G CA 0.509 45.621 45.100 0.020 0.000 0.777 327 G HN 0.177 nan 8.290 nan 0.000 0.539 328 L N 0.154 121.386 121.223 0.014 0.000 2.093 328 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 328 L C 2.757 179.646 176.870 0.032 0.000 1.085 328 L CA 1.446 56.294 54.840 0.013 0.000 0.755 328 L CB -0.312 41.721 42.059 -0.044 0.000 0.904 328 L HN 0.376 nan 8.230 nan 0.000 0.435 329 E N 0.535 120.745 120.200 0.016 0.000 2.051 329 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 329 E C 2.215 178.863 176.600 0.080 0.000 0.991 329 E CA 1.261 57.681 56.400 0.035 0.000 0.799 329 E CB 0.000 29.706 29.700 0.009 0.000 0.748 329 E HN 0.442 nan 8.360 nan 0.000 0.449 330 A N 1.079 123.935 122.820 0.059 0.000 1.877 330 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 330 A C 2.256 179.885 177.584 0.075 0.000 1.186 330 A CA 1.746 53.818 52.037 0.059 0.000 0.620 330 A CB -0.535 18.494 19.000 0.048 0.000 0.822 330 A HN 0.322 nan 8.150 nan 0.000 0.443 331 M N -1.573 118.082 119.600 0.092 0.000 2.117 331 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 331 M C 2.298 178.648 176.300 0.083 0.000 1.065 331 M CA 1.797 57.163 55.300 0.110 0.000 1.114 331 M CB -0.708 31.974 32.600 0.137 0.000 1.361 331 M HN 0.665 nan 8.290 nan 0.000 0.408 332 H N 0.756 119.820 119.070 -0.009 0.000 2.387 332 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 332 H C 2.057 177.383 175.328 -0.003 0.000 1.099 332 H CA 1.953 57.983 56.048 -0.031 0.000 1.315 332 H CB 0.045 29.789 29.762 -0.031 0.000 1.380 332 H HN 0.317 nan 8.280 nan 0.000 0.513 333 K N 0.153 120.575 120.400 0.037 0.000 2.057 333 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 333 K C 2.302 178.889 176.600 -0.023 0.000 1.050 333 K CA 1.203 57.488 56.287 -0.003 0.000 0.935 333 K CB 0.065 32.589 32.500 0.039 0.000 0.715 333 K HN 0.064 nan 8.250 nan 0.000 0.439 334 V N 1.487 121.394 119.914 -0.012 0.000 2.295 334 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 334 V C 2.232 178.349 176.094 0.038 0.000 1.049 334 V CA 1.825 64.104 62.300 -0.036 0.000 1.024 334 V CB -0.339 31.505 31.823 0.035 0.000 0.648 334 V HN 0.325 nan 8.190 nan 0.000 0.447 335 I N 0.681 121.282 120.570 0.052 0.000 2.208 335 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 335 I C 2.581 178.718 176.117 0.034 0.000 1.097 335 I CA 1.788 63.090 61.300 0.002 0.000 1.363 335 I CB -0.897 36.883 38.000 -0.367 0.000 1.051 335 I HN 0.413 nan 8.210 nan 0.000 0.413 336 G N 0.441 109.179 108.800 -0.102 0.000 2.422 336 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 336 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 336 G C 1.608 176.545 174.900 0.062 0.000 1.146 336 G CA 0.593 45.647 45.100 -0.077 0.000 0.769 336 G HN 0.372 nan 8.290 nan 0.000 0.547 337 F N 0.580 120.493 119.950 -0.061 0.000 2.102 337 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 337 F C 2.433 178.279 175.800 0.077 0.000 1.105 337 F CA 1.229 59.198 58.000 -0.052 0.000 1.239 337 F CB -0.196 38.693 39.000 -0.184 0.000 0.991 337 F HN 0.157 nan 8.300 nan 0.000 0.474 338 Y N 0.969 121.428 120.300 0.265 0.000 2.293 338 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 338 Y C 2.338 178.296 175.900 0.097 0.000 1.137 338 Y CA 1.238 59.471 58.100 0.223 0.000 1.202 338 Y CB -0.989 37.837 38.460 0.610 0.000 0.990 338 Y HN 0.092 nan 8.280 nan 0.000 0.537 339 K N -0.265 120.305 120.400 0.283 0.000 2.097 339 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 339 K C 2.010 178.632 176.600 0.037 0.000 1.049 339 K CA 1.465 57.844 56.287 0.153 0.000 0.933 339 K CB -0.077 32.502 32.500 0.132 0.000 0.717 339 K HN 0.098 nan 8.250 nan 0.000 0.442 340 E N 1.618 121.805 120.200 -0.021 0.000 2.077 340 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 340 E C 1.533 178.074 176.600 -0.097 0.000 0.989 340 E CA 1.449 57.807 56.400 -0.070 0.000 0.800 340 E CB -0.194 29.444 29.700 -0.103 0.000 0.746 340 E HN 0.161 nan 8.360 nan 0.000 0.452 341 N N -0.346 118.253 118.700 -0.168 0.000 2.094 341 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 341 N C 1.727 177.226 175.510 -0.017 0.000 1.023 341 N CA 1.954 54.943 53.050 -0.102 0.000 0.857 341 N CB -0.862 37.588 38.487 -0.063 0.000 1.013 341 N HN 0.235 nan 8.380 nan 0.000 0.426 342 T N 1.502 116.048 114.554 -0.013 0.000 2.746 342 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 342 T C 1.513 176.214 174.700 0.001 0.000 1.039 342 T CA 1.026 63.113 62.100 -0.022 0.000 1.142 342 T CB -0.241 68.588 68.868 -0.065 0.000 0.866 342 T HN 0.266 nan 8.240 nan 0.000 0.444 343 N N 1.239 119.939 118.700 -0.000 0.000 2.166 343 N HA 0.019 4.759 4.740 -0.000 0.000 0.186 343 N C 1.866 177.390 175.510 0.022 0.000 1.019 343 N CA 0.846 53.902 53.050 0.010 0.000 0.856 343 N CB -0.490 38.000 38.487 0.005 0.000 0.993 343 N HN 0.398 nan 8.380 nan 0.000 0.426 344 I N 0.978 121.559 120.570 0.019 0.000 2.163 344 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 344 I C 1.992 178.148 176.117 0.064 0.000 1.085 344 I CA 1.026 62.346 61.300 0.032 0.000 1.347 344 I CB -0.224 37.790 38.000 0.023 0.000 1.044 344 I HN 0.046 nan 8.210 nan 0.000 0.408 345 I N 0.452 121.079 120.570 0.096 0.000 2.202 345 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 345 I C 2.469 178.709 176.117 0.204 0.000 1.091 345 I CA 1.544 62.953 61.300 0.181 0.000 1.368 345 I CB -0.300 37.827 38.000 0.212 0.000 1.058 345 I HN 0.131 nan 8.210 nan 0.000 0.410 346 I N 0.845 121.489 120.570 0.123 0.000 2.151 346 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 346 I C 2.116 178.289 176.117 0.093 0.000 1.080 346 I CA 1.548 62.908 61.300 0.101 0.000 1.339 346 I CB -0.516 37.509 38.000 0.042 0.000 1.039 346 I HN 0.252 nan 8.210 nan 0.000 0.409 347 D N 0.247 120.683 120.400 0.060 0.000 2.117 347 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 347 D C 2.233 178.549 176.300 0.027 0.000 0.987 347 D CA 1.565 55.587 54.000 0.036 0.000 0.829 347 D CB -0.448 40.366 40.800 0.023 0.000 0.961 347 D HN 0.288 nan 8.370 nan 0.000 0.460 348 T N 0.355 114.916 114.554 0.013 0.000 2.652 348 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 348 T C 1.802 176.424 174.700 -0.131 0.000 1.039 348 T CA 0.903 62.957 62.100 -0.077 0.000 1.153 348 T CB -0.456 68.333 68.868 -0.131 0.000 0.863 348 T HN 0.077 nan 8.240 nan 0.000 0.428 349 F N 1.484 121.434 119.950 0.000 0.000 2.259 349 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 349 F C 2.818 178.634 175.800 0.028 0.000 1.088 349 F CA 0.838 58.817 58.000 -0.035 0.000 1.358 349 F CB -1.069 37.815 39.000 -0.194 0.000 1.040 349 F HN 0.103 nan 8.300 nan 0.000 0.505 350 T N -0.776 113.866 114.554 0.147 0.000 2.746 350 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 350 T C 2.280 177.002 174.700 0.037 0.000 1.039 350 T CA 1.716 63.856 62.100 0.066 0.000 1.142 350 T CB -0.582 68.304 68.868 0.030 0.000 0.866 350 T HN 0.384 nan 8.240 nan 0.000 0.444 351 S N 1.527 117.243 115.700 0.028 0.000 2.423 351 S HA 0.058 4.528 4.470 -0.000 0.000 0.231 351 S C 1.884 176.485 174.600 0.001 0.000 1.014 351 S CA 0.637 58.840 58.200 0.004 0.000 0.965 351 S CB -0.691 62.506 63.200 -0.004 0.000 0.785 351 S HN 0.441 nan 8.310 nan 0.000 0.495 352 L N 1.006 122.251 121.223 0.037 0.000 2.599 352 L HA 0.282 4.622 4.340 -0.000 0.000 0.230 352 L C 1.848 178.669 176.870 -0.082 0.000 1.141 352 L CA 0.439 55.306 54.840 0.045 0.000 0.877 352 L CB -0.543 41.637 42.059 0.201 0.000 1.009 352 L HN 0.625 nan 8.230 nan 0.000 0.447 353 G N -1.430 107.325 108.800 -0.074 0.000 2.141 353 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.242 353 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.242 353 G C -0.042 174.690 174.900 -0.280 0.000 0.982 353 G CA -0.479 44.515 45.100 -0.177 0.000 0.662 353 G HN 0.227 nan 8.290 nan 0.000 0.527 354 Y N 1.135 121.345 120.300 -0.151 0.000 2.301 354 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 354 Y C 0.773 176.549 175.900 -0.206 0.000 1.242 354 Y CA -0.487 57.470 58.100 -0.237 0.000 1.323 354 Y CB 0.655 38.924 38.460 -0.318 0.000 1.266 354 Y HN 0.036 nan 8.280 nan 0.000 0.527 355 D N 2.031 122.399 120.400 -0.053 0.000 2.358 355 D HA 0.165 4.804 4.640 -0.000 0.000 0.258 355 D C -0.856 175.263 176.300 -0.302 0.000 1.223 355 D CA 0.237 54.131 54.000 -0.176 0.000 0.886 355 D CB 1.226 42.010 40.800 -0.027 0.000 1.120 355 D HN 0.210 nan 8.370 nan 0.000 0.482 356 V N 4.573 124.218 119.914 -0.447 0.000 2.540 356 V HA 0.439 4.559 4.120 -0.000 0.000 0.302 356 V C -1.479 174.329 176.094 -0.477 0.000 1.035 356 V CA -0.521 61.579 62.300 -0.333 0.000 0.873 356 V CB 0.955 32.699 31.823 -0.132 0.000 0.992 356 V HN 0.349 nan 8.190 nan 0.000 0.428 357 Y N 4.285 124.679 120.300 0.157 0.000 2.549 357 Y HA 0.870 5.420 4.550 -0.000 0.000 0.339 357 Y C 0.896 176.838 175.900 0.070 0.000 1.053 357 Y CA 0.314 58.527 58.100 0.188 0.000 1.105 357 Y CB 1.986 40.660 38.460 0.357 0.000 1.258 357 Y HN 1.132 nan 8.280 nan 0.000 0.478 358 G N 0.508 109.405 108.800 0.163 0.000 2.593 358 G HA2 0.206 4.165 3.960 -0.000 0.000 0.237 358 G HA3 0.206 4.165 3.960 -0.000 0.000 0.237 358 G C 0.838 175.705 174.900 -0.056 0.000 1.312 358 G CA 0.282 45.370 45.100 -0.020 0.000 0.896 358 G HN 1.911 nan 8.290 nan 0.000 0.574 359 G N -1.536 107.161 108.800 -0.173 0.000 2.304 359 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 359 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 359 G C 1.327 176.158 174.900 -0.116 0.000 1.014 359 G CA 1.798 46.801 45.100 -0.163 0.000 0.619 359 G HN 1.745 nan 8.290 nan 0.000 0.525 360 K N 0.742 121.096 120.400 -0.077 0.000 2.076 360 K HA 0.134 4.454 4.320 -0.000 0.000 0.204 360 K C 1.606 178.191 176.600 -0.025 0.000 1.051 360 K CA 1.708 57.977 56.287 -0.030 0.000 0.949 360 K CB -0.114 32.387 32.500 0.001 0.000 0.726 360 K HN 0.375 nan 8.250 nan 0.000 0.443 361 N N -0.352 118.308 118.700 -0.066 0.000 2.235 361 N HA 0.259 4.999 4.740 -0.000 0.000 0.231 361 N C -1.222 174.238 175.510 -0.083 0.000 1.177 361 N CA 0.376 53.412 53.050 -0.023 0.000 0.874 361 N CB 1.608 40.094 38.487 -0.001 0.000 1.097 361 N HN 0.175 nan 8.380 nan 0.000 0.518 362 A N 0.797 123.440 122.820 -0.294 0.000 2.605 362 A HA 0.502 4.822 4.320 -0.000 0.000 0.294 362 A C -2.779 174.255 177.584 -0.917 0.000 1.062 362 A CA -0.893 50.710 52.037 -0.724 0.000 0.682 362 A CB 1.597 19.866 19.000 -1.218 0.000 1.278 362 A HN -0.170 nan 8.150 nan 0.000 0.410 363 P HA 0.355 nan 4.420 nan 0.000 0.220 363 P C -1.310 175.518 177.300 -0.786 0.000 1.793 363 P CA 0.414 62.988 63.100 -0.878 0.000 0.917 363 P CB -1.146 29.903 31.700 -1.085 0.000 1.755 364 Y N -2.193 117.815 120.300 -0.487 0.000 2.677 364 Y HA 0.605 5.154 4.550 -0.000 0.000 0.334 364 Y C -1.009 174.747 175.900 -0.240 0.000 1.196 364 Y CA -2.037 55.839 58.100 -0.374 0.000 1.059 364 Y CB 0.666 38.862 38.460 -0.439 0.000 1.315 364 Y HN -0.102 nan 8.280 nan 0.000 0.455 365 V N -1.695 118.255 119.914 0.059 0.000 2.914 365 V HA 0.605 4.725 4.120 -0.000 0.000 0.314 365 V C -1.578 174.606 176.094 0.150 0.000 1.084 365 V CA -1.002 61.327 62.300 0.047 0.000 0.963 365 V CB 2.632 34.447 31.823 -0.014 0.000 1.025 365 V HN 1.093 nan 8.190 nan 0.000 0.432 366 W N 4.380 125.628 121.300 -0.087 0.000 2.391 366 W HA 0.711 5.371 4.660 -0.000 0.000 0.312 366 W C -1.817 174.776 176.519 0.124 0.000 1.003 366 W CA -0.708 56.614 57.345 -0.038 0.000 1.375 366 W CB 1.907 31.282 29.460 -0.142 0.000 1.253 366 W HN 0.630 nan 8.180 nan 0.000 0.416 367 V N 5.391 125.225 119.914 -0.134 0.000 2.435 367 V HA 0.090 4.210 4.120 -0.000 0.000 0.290 367 V C -0.118 175.848 176.094 -0.213 0.000 1.030 367 V CA -0.562 61.564 62.300 -0.290 0.000 0.881 367 V CB 1.300 32.667 31.823 -0.759 0.000 0.983 367 V HN 0.395 nan 8.190 nan 0.000 0.445 368 H N 4.420 123.287 119.070 -0.339 0.000 2.668 368 H HA 0.456 5.012 4.556 -0.000 0.000 0.303 368 H C -1.218 173.811 175.328 -0.499 0.000 1.074 368 H CA -0.825 54.855 56.048 -0.612 0.000 1.406 368 H CB 0.464 29.954 29.762 -0.454 0.000 1.442 368 H HN 0.457 nan 8.280 nan 0.000 0.482 369 F N 7.801 127.277 119.950 -0.790 0.000 2.359 369 F HA 0.282 4.809 4.527 -0.000 0.000 0.370 369 F C -1.971 173.411 175.800 -0.697 0.000 1.077 369 F CA -2.251 55.421 58.000 -0.546 0.000 1.136 369 F CB 0.966 39.754 39.000 -0.354 0.000 1.387 369 F HN 0.511 nan 8.300 nan 0.000 0.468 370 P HA -0.041 nan 4.420 nan 0.000 0.269 370 P C 0.008 177.205 177.300 -0.172 0.000 1.215 370 P CA 0.207 63.044 63.100 -0.439 0.000 0.780 370 P CB 0.663 32.190 31.700 -0.289 0.000 0.898 371 N N -0.354 118.285 118.700 -0.101 0.000 2.725 371 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 371 N C -0.352 175.142 175.510 -0.027 0.000 1.103 371 N CA 0.898 53.922 53.050 -0.044 0.000 0.707 371 N CB -0.554 37.914 38.487 -0.032 0.000 1.043 371 N HN 0.631 nan 8.380 nan 0.000 0.553 372 Q N 0.018 119.796 119.800 -0.036 0.000 2.340 372 Q HA 0.280 4.620 4.340 -0.000 0.000 0.276 372 Q C -0.619 175.368 176.000 -0.022 0.000 1.048 372 Q CA -0.566 55.227 55.803 -0.017 0.000 0.832 372 Q CB 1.823 30.557 28.738 -0.007 0.000 1.373 372 Q HN 0.261 nan 8.270 nan 0.000 0.409 373 S N 0.353 116.056 115.700 0.006 0.000 2.565 373 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 373 S C 1.069 175.668 174.600 -0.002 0.000 1.326 373 S CA 0.247 58.465 58.200 0.030 0.000 1.045 373 S CB 1.341 64.590 63.200 0.081 0.000 0.918 373 S HN 0.754 nan 8.310 nan 0.000 0.505 374 S N 2.175 117.858 115.700 -0.028 0.000 2.402 374 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 374 S C 1.284 175.810 174.600 -0.124 0.000 1.021 374 S CA 0.522 58.641 58.200 -0.135 0.000 0.974 374 S CB -0.972 62.125 63.200 -0.172 0.000 0.800 374 S HN 0.893 nan 8.310 nan 0.000 0.484 375 W N 2.250 123.533 121.300 -0.028 0.000 2.402 375 W HA 0.020 4.680 4.660 -0.000 0.000 0.286 375 W C 1.931 178.487 176.519 0.062 0.000 1.221 375 W CA 0.646 57.987 57.345 -0.008 0.000 1.257 375 W CB -0.156 29.269 29.460 -0.059 0.000 1.120 375 W HN 0.280 nan 8.180 nan 0.000 0.551 376 D N -0.411 120.124 120.400 0.224 0.000 2.117 376 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 376 D C 2.277 178.610 176.300 0.055 0.000 0.982 376 D CA 1.316 55.395 54.000 0.132 0.000 0.828 376 D CB -0.700 40.144 40.800 0.074 0.000 0.967 376 D HN -0.017 nan 8.370 nan 0.000 0.464 377 V N 1.115 120.998 119.914 -0.053 0.000 2.295 377 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 377 V C 2.195 178.201 176.094 -0.147 0.000 1.049 377 V CA 1.337 63.501 62.300 -0.227 0.000 1.024 377 V CB -0.686 30.765 31.823 -0.620 0.000 0.648 377 V HN 0.104 nan 8.190 nan 0.000 0.447 378 F N 1.817 121.647 119.950 -0.201 0.000 2.087 378 F HA -0.287 4.240 4.527 -0.000 0.000 0.299 378 F C 2.270 178.060 175.800 -0.017 0.000 1.100 378 F CA 2.015 59.942 58.000 -0.121 0.000 1.226 378 F CB -0.537 38.377 39.000 -0.144 0.000 0.983 378 F HN 0.074 nan 8.300 nan 0.000 0.479 379 A N -0.353 122.560 122.820 0.156 0.000 1.930 379 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 379 A C 2.241 179.786 177.584 -0.065 0.000 1.175 379 A CA 1.632 53.708 52.037 0.064 0.000 0.627 379 A CB -0.991 18.143 19.000 0.222 0.000 0.815 379 A HN 0.628 nan 8.150 nan 0.000 0.443 380 E N -0.080 120.093 120.200 -0.044 0.000 2.047 380 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 380 E C 1.884 178.426 176.600 -0.098 0.000 0.987 380 E CA 1.232 57.603 56.400 -0.048 0.000 0.799 380 E CB -0.217 29.477 29.700 -0.011 0.000 0.752 380 E HN 0.653 nan 8.360 nan 0.000 0.449 381 I N 0.800 121.300 120.570 -0.117 0.000 2.226 381 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 381 I C 2.561 178.548 176.117 -0.216 0.000 1.100 381 I CA 0.538 61.784 61.300 -0.089 0.000 1.374 381 I CB -0.235 37.769 38.000 0.005 0.000 1.057 381 I HN 0.258 nan 8.210 nan 0.000 0.413 382 L N 1.159 122.156 121.223 -0.377 0.000 2.027 382 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 382 L C 2.428 179.051 176.870 -0.412 0.000 1.074 382 L CA 2.004 56.550 54.840 -0.490 0.000 0.745 382 L CB -0.680 40.971 42.059 -0.680 0.000 0.898 382 L HN 0.180 nan 8.230 nan 0.000 0.433 383 E N -0.102 119.985 120.200 -0.187 0.000 2.077 383 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 383 E C 2.098 178.589 176.600 -0.181 0.000 0.989 383 E CA 1.804 58.212 56.400 0.013 0.000 0.800 383 E CB -0.087 29.652 29.700 0.066 0.000 0.746 383 E HN 0.519 nan 8.360 nan 0.000 0.452 384 K N -1.225 119.037 120.400 -0.230 0.000 2.211 384 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 384 K C 1.745 178.139 176.600 -0.343 0.000 1.052 384 K CA 1.405 57.545 56.287 -0.246 0.000 0.973 384 K CB 0.346 32.752 32.500 -0.157 0.000 0.766 384 K HN 0.301 nan 8.250 nan 0.000 0.466 385 T N -3.330 111.005 114.554 -0.364 0.000 3.003 385 T HA 0.052 4.402 4.350 -0.000 0.000 0.261 385 T C 0.150 174.728 174.700 -0.203 0.000 1.003 385 T CA -0.358 61.588 62.100 -0.257 0.000 0.917 385 T CB 0.038 68.791 68.868 -0.193 0.000 1.084 385 T HN 0.190 nan 8.240 nan 0.000 0.522 386 H N -0.090 118.908 119.070 -0.120 0.000 2.820 386 H HA -0.103 4.453 4.556 -0.000 0.000 0.295 386 H C -0.558 174.675 175.328 -0.158 0.000 1.187 386 H CA 0.614 56.575 56.048 -0.146 0.000 1.144 386 H CB -2.481 27.297 29.762 0.028 0.000 1.354 386 H HN 0.386 nan 8.280 nan 0.000 0.395 387 V N 1.373 121.210 119.914 -0.128 0.000 2.435 387 V HA 0.321 4.441 4.120 -0.000 0.000 0.290 387 V C 0.823 176.864 176.094 -0.089 0.000 1.030 387 V CA -0.825 61.430 62.300 -0.076 0.000 0.881 387 V CB 2.346 34.110 31.823 -0.100 0.000 0.983 387 V HN 0.088 nan 8.190 nan 0.000 0.445 388 V N 4.896 124.797 119.914 -0.022 0.000 2.465 388 V HA 0.573 4.693 4.120 -0.000 0.000 0.279 388 V C 0.635 176.813 176.094 0.140 0.000 1.045 388 V CA -0.053 62.253 62.300 0.010 0.000 0.938 388 V CB 1.269 33.166 31.823 0.122 0.000 0.986 388 V HN 1.094 nan 8.190 nan 0.000 0.467 389 T N 0.964 115.633 114.554 0.192 0.000 2.724 389 T HA 0.605 4.955 4.350 -0.000 0.000 0.274 389 T C -0.304 174.598 174.700 0.337 0.000 0.984 389 T CA -0.751 61.495 62.100 0.243 0.000 1.024 389 T CB 1.990 70.950 68.868 0.153 0.000 1.320 389 T HN 0.481 nan 8.240 nan 0.000 0.555 390 T N 3.175 117.850 114.554 0.202 0.000 2.809 390 T HA 0.556 4.906 4.350 -0.000 0.000 0.284 390 T C -2.833 171.829 174.700 -0.062 0.000 0.992 390 T CA -1.176 60.962 62.100 0.063 0.000 0.957 390 T CB 1.462 70.464 68.868 0.224 0.000 0.942 390 T HN 0.526 nan 8.240 nan 0.000 0.439 391 P HA 0.141 nan 4.420 nan 0.000 0.271 391 P C 1.123 178.295 177.300 -0.214 0.000 1.220 391 P CA -0.058 62.710 63.100 -0.553 0.000 0.768 391 P CB 0.763 31.590 31.700 -1.455 0.000 0.848 392 G N 3.121 111.933 108.800 0.021 0.000 2.450 392 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 392 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 392 G C 1.545 176.665 174.900 0.366 0.000 1.130 392 G CA 0.978 46.326 45.100 0.414 0.000 0.760 392 G HN 0.592 nan 8.290 nan 0.000 0.557 393 S N 0.460 116.203 115.700 0.071 0.000 2.469 393 S HA 0.055 4.525 4.470 -0.000 0.000 0.238 393 S C 2.341 176.940 174.600 -0.002 0.000 0.998 393 S CA 1.231 59.476 58.200 0.075 0.000 0.957 393 S CB -0.507 62.738 63.200 0.075 0.000 0.764 393 S HN 0.412 nan 8.310 nan 0.000 0.514 394 G N 0.082 108.747 108.800 -0.224 0.000 2.559 394 G HA2 0.026 3.986 3.960 -0.000 0.000 0.216 394 G HA3 0.026 3.986 3.960 -0.000 0.000 0.216 394 G C 0.618 175.180 174.900 -0.563 0.000 1.126 394 G CA 0.230 45.049 45.100 -0.469 0.000 0.778 394 G HN 0.620 nan 8.290 nan 0.000 0.543 395 F N 0.754 120.649 119.950 -0.092 0.000 2.641 395 F HA 0.465 4.992 4.527 -0.000 0.000 0.302 395 F C 1.331 177.144 175.800 0.021 0.000 1.098 395 F CA 0.262 58.216 58.000 -0.078 0.000 1.318 395 F CB 0.607 39.530 39.000 -0.128 0.000 1.035 395 F HN 0.305 nan 8.300 nan 0.000 0.551 396 G N 0.883 109.800 108.800 0.195 0.000 2.479 396 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.686 396 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.686 396 G C -2.296 172.709 174.900 0.175 0.000 1.295 396 G CA -0.721 44.517 45.100 0.230 0.000 0.922 396 G HN -0.142 nan 8.290 nan 0.000 0.582 397 P HA -0.031 nan 4.420 nan 0.000 0.218 397 P C 1.881 179.246 177.300 0.108 0.000 1.149 397 P CA 1.929 65.056 63.100 0.045 0.000 0.817 397 P CB -0.192 31.444 31.700 -0.106 0.000 0.785 398 G N -0.092 108.784 108.800 0.126 0.000 2.559 398 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 398 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 398 G C 1.585 176.649 174.900 0.273 0.000 1.126 398 G CA 0.664 45.864 45.100 0.167 0.000 0.778 398 G HN 0.421 nan 8.290 nan 0.000 0.543 399 G N -0.370 108.627 108.800 0.328 0.000 2.838 399 G HA2 0.160 4.120 3.960 -0.000 0.000 0.210 399 G HA3 0.160 4.120 3.960 -0.000 0.000 0.210 399 G C 0.538 175.701 174.900 0.437 0.000 1.153 399 G CA -0.096 45.319 45.100 0.526 0.000 0.778 399 G HN 0.390 nan 8.290 nan 0.000 0.539 400 E N 0.497 120.881 120.200 0.308 0.000 2.452 400 E HA 0.371 4.721 4.350 -0.000 0.000 0.261 400 E C 1.339 178.080 176.600 0.234 0.000 0.987 400 E CA 0.896 57.423 56.400 0.212 0.000 0.926 400 E CB 0.226 30.014 29.700 0.146 0.000 0.934 400 E HN 0.427 nan 8.360 nan 0.000 0.452 401 G N 2.862 111.707 108.800 0.076 0.000 2.176 401 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 401 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 401 G C -0.088 174.622 174.900 -0.317 0.000 0.979 401 G CA 0.148 45.191 45.100 -0.095 0.000 0.641 401 G HN 0.361 nan 8.290 nan 0.000 0.530 402 F N -0.897 118.924 119.950 -0.215 0.000 2.598 402 F HA 0.792 5.319 4.527 -0.000 0.000 0.327 402 F C 0.261 175.757 175.800 -0.506 0.000 1.057 402 F CA -1.175 56.489 58.000 -0.560 0.000 0.957 402 F CB 2.405 40.475 39.000 -1.549 0.000 1.278 402 F HN 0.008 nan 8.300 nan 0.000 0.484 403 V N 1.744 121.491 119.914 -0.278 0.000 2.638 403 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 403 V C -0.622 175.441 176.094 -0.053 0.000 1.052 403 V CA -1.002 61.200 62.300 -0.162 0.000 0.885 403 V CB 2.056 33.738 31.823 -0.235 0.000 0.999 403 V HN 0.662 nan 8.190 nan 0.000 0.424 404 R N 2.872 123.467 120.500 0.159 0.000 2.297 404 R HA 0.715 5.055 4.340 -0.000 0.000 0.308 404 R C -1.473 174.877 176.300 0.084 0.000 1.029 404 R CA -0.302 55.916 56.100 0.198 0.000 0.929 404 R CB 1.556 31.944 30.300 0.147 0.000 1.046 404 R HN 0.540 nan 8.270 nan 0.000 0.461 405 V N 3.420 123.358 119.914 0.040 0.000 2.378 405 V HA 0.176 4.296 4.120 -0.000 0.000 0.288 405 V C 0.206 176.340 176.094 0.066 0.000 1.016 405 V CA -0.655 61.685 62.300 0.066 0.000 0.840 405 V CB 1.450 33.300 31.823 0.045 0.000 0.994 405 V HN 0.832 nan 8.190 nan 0.000 0.431 406 S N 3.617 119.352 115.700 0.057 0.000 2.564 406 S HA 0.465 4.935 4.470 -0.000 0.000 0.278 406 S C 1.141 175.709 174.600 -0.052 0.000 1.333 406 S CA 0.217 58.388 58.200 -0.048 0.000 1.048 406 S CB 1.365 64.547 63.200 -0.030 0.000 0.900 406 S HN 1.027 nan 8.310 nan 0.000 0.505 407 A N 4.521 127.207 122.820 -0.223 0.000 2.308 407 A HA 0.347 4.667 4.320 -0.000 0.000 0.217 407 A C -0.002 177.576 177.584 -0.011 0.000 1.216 407 A CA -0.244 51.725 52.037 -0.112 0.000 0.864 407 A CB -0.224 18.689 19.000 -0.145 0.000 0.902 407 A HN 0.667 nan 8.150 nan 0.000 0.499 408 F N 0.871 120.790 119.950 -0.052 0.000 2.471 408 F HA 0.517 5.044 4.527 -0.000 0.000 0.365 408 F C 1.015 176.879 175.800 0.106 0.000 1.095 408 F CA -0.206 57.725 58.000 -0.115 0.000 1.174 408 F CB 0.411 39.253 39.000 -0.263 0.000 1.105 408 F HN 0.193 nan 8.300 nan 0.000 0.535 409 G N 2.164 111.264 108.800 0.499 0.000 2.489 409 G HA2 0.228 4.188 3.960 -0.000 0.000 0.291 409 G HA3 0.228 4.188 3.960 -0.000 0.000 0.291 409 G C -1.676 173.510 174.900 0.477 0.000 1.487 409 G CA -1.037 44.256 45.100 0.321 0.000 0.795 409 G HN 0.403 nan 8.290 nan 0.000 0.513 410 H N 0.336 119.624 119.070 0.363 0.000 2.871 410 H HA 0.166 4.722 4.556 -0.000 0.000 0.355 410 H C 1.708 177.244 175.328 0.348 0.000 1.092 410 H CA 0.045 56.305 56.048 0.353 0.000 1.420 410 H CB 1.429 31.314 29.762 0.205 0.000 1.400 410 H HN 0.636 nan 8.280 nan 0.000 0.604 411 R N 1.813 122.652 120.500 0.566 0.000 2.103 411 R HA -0.151 4.188 4.340 -0.000 0.000 0.242 411 R C 1.494 177.919 176.300 0.209 0.000 1.142 411 R CA 1.572 57.870 56.100 0.329 0.000 0.960 411 R CB -0.111 30.390 30.300 0.334 0.000 0.858 411 R HN 0.581 nan 8.270 nan 0.000 0.439 412 E N 0.253 120.576 120.200 0.205 0.000 2.153 412 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 412 E C 1.573 178.247 176.600 0.124 0.000 0.988 412 E CA 0.963 57.445 56.400 0.136 0.000 0.811 412 E CB -0.333 29.435 29.700 0.113 0.000 0.746 412 E HN 0.398 nan 8.360 nan 0.000 0.466 413 N N 0.575 119.376 118.700 0.168 0.000 2.216 413 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 413 N C 1.817 177.381 175.510 0.090 0.000 1.017 413 N CA 0.507 53.630 53.050 0.122 0.000 0.861 413 N CB -0.089 38.481 38.487 0.138 0.000 0.986 413 N HN 0.154 nan 8.380 nan 0.000 0.428 414 I N 1.271 121.914 120.570 0.121 0.000 2.179 414 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 414 I C 2.213 178.367 176.117 0.061 0.000 1.088 414 I CA 0.789 62.149 61.300 0.099 0.000 1.357 414 I CB -1.075 36.986 38.000 0.102 0.000 1.051 414 I HN 0.092 nan 8.210 nan 0.000 0.409 415 L N 0.302 121.559 121.223 0.057 0.000 2.046 415 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 415 L C 2.621 179.492 176.870 0.002 0.000 1.077 415 L CA 1.414 56.273 54.840 0.033 0.000 0.747 415 L CB -0.545 41.538 42.059 0.041 0.000 0.896 415 L HN 0.211 nan 8.230 nan 0.000 0.432 416 E N 0.590 120.789 120.200 -0.000 0.000 2.051 416 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 416 E C 2.110 178.641 176.600 -0.115 0.000 0.991 416 E CA 1.576 57.955 56.400 -0.036 0.000 0.799 416 E CB -0.158 29.534 29.700 -0.013 0.000 0.748 416 E HN 0.347 nan 8.360 nan 0.000 0.449 417 A N 0.027 122.761 122.820 -0.143 0.000 1.908 417 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 417 A C 2.618 179.891 177.584 -0.519 0.000 1.181 417 A CA 1.689 53.505 52.037 -0.370 0.000 0.627 417 A CB -1.147 17.703 19.000 -0.251 0.000 0.818 417 A HN 0.520 nan 8.150 nan 0.000 0.445 418 C N -1.189 118.019 119.300 -0.154 0.000 2.440 418 C HA -0.050 4.410 4.460 -0.000 0.000 0.278 418 C C 2.844 177.805 174.990 -0.048 0.000 1.295 418 C CA 0.941 59.961 59.018 0.003 0.000 1.738 418 C CB -1.333 26.442 27.740 0.058 0.000 1.987 418 C HN 0.588 nan 8.230 nan 0.000 0.492 419 R N 0.523 120.978 120.500 -0.075 0.000 2.091 419 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 419 R C 2.437 178.687 176.300 -0.084 0.000 1.136 419 R CA 1.347 57.412 56.100 -0.059 0.000 0.959 419 R CB -0.287 29.986 30.300 -0.046 0.000 0.856 419 R HN 0.603 nan 8.270 nan 0.000 0.437 420 R N -0.407 119.991 120.500 -0.171 0.000 2.075 420 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 420 R C 2.139 178.356 176.300 -0.140 0.000 1.126 420 R CA 1.340 57.325 56.100 -0.191 0.000 0.963 420 R CB -0.307 29.823 30.300 -0.282 0.000 0.858 420 R HN 0.135 nan 8.270 nan 0.000 0.435 421 F N 1.512 121.420 119.950 -0.069 0.000 2.102 421 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 421 F C 2.213 177.991 175.800 -0.038 0.000 1.105 421 F CA 1.186 59.150 58.000 -0.060 0.000 1.239 421 F CB -0.502 38.393 39.000 -0.175 0.000 0.991 421 F HN -0.100 nan 8.300 nan 0.000 0.474 422 K N -0.097 120.372 120.400 0.114 0.000 2.057 422 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 422 K C 2.142 178.758 176.600 0.027 0.000 1.049 422 K CA 1.588 57.908 56.287 0.055 0.000 0.931 422 K CB -0.424 32.076 32.500 0.001 0.000 0.714 422 K HN 0.330 nan 8.250 nan 0.000 0.440 423 Q N 0.898 120.698 119.800 -0.001 0.000 2.084 423 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 423 Q C 2.164 178.169 176.000 0.008 0.000 0.978 423 Q CA 1.131 56.931 55.803 -0.005 0.000 0.844 423 Q CB 0.001 28.733 28.738 -0.011 0.000 0.898 423 Q HN 0.187 nan 8.270 nan 0.000 0.426 424 L N -0.518 120.669 121.223 -0.059 0.000 2.056 424 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 424 L C 1.224 178.049 176.870 -0.075 0.000 1.078 424 L CA 1.755 56.490 54.840 -0.176 0.000 0.749 424 L CB -0.279 41.496 42.059 -0.474 0.000 0.901 424 L HN 0.257 nan 8.230 nan 0.000 0.433 425 Y N -0.703 119.716 120.300 0.199 0.000 2.458 425 Y HA 0.109 4.659 4.550 -0.000 0.000 0.254 425 Y C 2.174 178.157 175.900 0.138 0.000 1.120 425 Y CA 0.451 58.696 58.100 0.243 0.000 1.282 425 Y CB -0.445 38.196 38.460 0.301 0.000 1.109 425 Y HN 0.281 nan 8.280 nan 0.000 0.526 426 K N -0.585 119.882 120.400 0.112 0.000 2.147 426 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 426 K C 0.845 177.304 176.600 -0.235 0.000 1.049 426 K CA 1.996 58.214 56.287 -0.115 0.000 0.936 426 K CB -0.399 31.936 32.500 -0.274 0.000 0.722 426 K HN 0.273 nan 8.250 nan 0.000 0.446 427 H N -0.076 118.979 119.070 -0.024 0.000 2.526 427 H HA 0.204 4.760 4.556 -0.000 0.000 0.274 427 H C 0.042 175.121 175.328 -0.415 0.000 0.999 427 H CA 0.123 56.039 56.048 -0.220 0.000 1.157 427 H CB 0.058 29.648 29.762 -0.287 0.000 1.407 427 H HN 0.306 nan 8.280 nan 0.000 0.568 428 H N 0.000 119.153 119.070 0.138 0.000 2.539 428 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 428 H CA 0.000 56.112 56.048 0.106 0.000 1.023 428 H CB 0.000 29.863 29.762 0.168 0.000 1.292 428 H HN 0.000 nan 8.280 nan 0.000 0.496