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 1hm0_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNFAIILAAG KGTRMKSDLP KVLHKVAGIS MLEHVFRSVG AIQPEKTVTV DATA SEQUENCE VGHKAELVEE VLAGQTEFVT QSEQLGTGHA VMMTEPILEG LSGHTLVIAG DATA SEQUENCE DTPLITGESL KNLIDFHINH KNVATILTAE TDNPFGYGRI VXXXXXXVLR DATA SEQUENCE IVEQKDATDF EKQIKEINTG TYVFDNERLF EALKNINTNN AQGEYYITDV DATA SEQUENCE IGIFRETGEK VGAYTLKDFD ESLGVNDRVA LATAESVMRR RINHKHMVNG DATA SEQUENCE VSFVNPEATY IDIDVEIAPE VQIEANVILK GQTKIGAETV LTNGTYVVDS DATA SEQUENCE TIGAGAVITN SMIEESSVAD GVTVGPYAHI RPNSSLGAQV HIGNFVEVKG DATA SEQUENCE SSIGENTKAG HLTYIGNCEV GSNVNFGAGT ITVNYDGKNK YKTVIGDNVF DATA SEQUENCE VGSNSTIIAP VELGDNSLVG AGSTITKDVP ADAIAIGRGR QINKDE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.340 174.600 -0.433 0.000 1.055 2 S CA 0.000 58.040 58.200 -0.267 0.000 1.107 2 S CB 0.000 63.166 63.200 -0.058 0.000 0.593 3 N N 0.805 119.165 118.700 -0.566 0.000 2.342 3 N HA 0.674 5.415 4.740 0.002 0.000 0.293 3 N C -1.665 173.451 175.510 -0.656 0.000 1.026 3 N CA 0.024 52.826 53.050 -0.413 0.000 0.857 3 N CB 1.267 39.664 38.487 -0.151 0.000 1.256 3 N HN 0.219 nan 8.380 nan 0.000 0.484 4 F N 0.409 120.420 119.950 0.101 0.000 2.577 4 F HA 0.767 5.295 4.527 0.002 0.000 0.318 4 F C 0.160 176.009 175.800 0.080 0.000 1.065 4 F CA -1.082 56.968 58.000 0.084 0.000 0.929 4 F CB 1.710 40.773 39.000 0.105 0.000 1.237 4 F HN 0.342 nan 8.300 nan 0.000 0.468 5 A N 2.439 125.410 122.820 0.251 0.000 2.422 5 A HA 0.863 5.184 4.320 0.002 0.000 0.302 5 A C -1.325 176.345 177.584 0.143 0.000 1.041 5 A CA -0.538 51.596 52.037 0.162 0.000 0.708 5 A CB 1.012 20.075 19.000 0.104 0.000 1.257 5 A HN 0.703 nan 8.150 nan 0.000 0.414 6 I N 2.986 123.635 120.570 0.132 0.000 2.410 6 I HA 0.351 4.522 4.170 0.002 0.000 0.286 6 I C -0.943 175.229 176.117 0.092 0.000 1.009 6 I CA -0.302 61.061 61.300 0.105 0.000 1.111 6 I CB 1.665 39.727 38.000 0.104 0.000 1.262 6 I HN 0.509 nan 8.210 nan 0.000 0.443 7 I N 7.044 127.663 120.570 0.081 0.000 2.307 7 I HA 0.276 4.447 4.170 0.002 0.000 0.289 7 I C -0.154 175.994 176.117 0.052 0.000 1.021 7 I CA -0.461 60.884 61.300 0.075 0.000 1.224 7 I CB 1.048 39.120 38.000 0.120 0.000 1.376 7 I HN 0.325 nan 8.210 nan 0.000 0.470 8 L N 6.810 128.059 121.223 0.043 0.000 2.407 8 L HA 0.368 4.709 4.340 0.002 0.000 0.282 8 L C 0.779 177.665 176.870 0.027 0.000 1.110 8 L CA -0.003 54.858 54.840 0.035 0.000 0.863 8 L CB 0.643 42.725 42.059 0.040 0.000 1.207 8 L HN 0.756 nan 8.230 nan 0.000 0.454 9 A N 3.418 126.260 122.820 0.037 0.000 2.674 9 A HA 0.619 4.940 4.320 0.002 0.000 0.286 9 A C 0.347 177.963 177.584 0.054 0.000 0.980 9 A CA -0.238 51.824 52.037 0.041 0.000 1.028 9 A CB 0.426 19.457 19.000 0.052 0.000 1.199 9 A HN 0.627 nan 8.150 nan 0.000 0.499 10 A N 0.202 123.046 122.820 0.041 0.000 2.274 10 A HA 0.632 4.953 4.320 0.002 0.000 0.309 10 A C 1.274 178.904 177.584 0.076 0.000 1.226 10 A CA 0.199 52.252 52.037 0.027 0.000 0.853 10 A CB -0.072 18.924 19.000 -0.006 0.000 1.146 10 A HN 1.376 nan 8.150 nan 0.000 0.518 11 G N 1.377 110.265 108.800 0.146 0.000 3.294 11 G HA2 -0.228 3.733 3.960 0.002 0.000 0.766 11 G HA3 -0.228 3.733 3.960 0.002 0.000 0.766 11 G C 0.814 175.819 174.900 0.174 0.000 0.908 11 G CA 1.347 46.596 45.100 0.249 0.000 0.931 11 G HN 1.660 nan 8.290 nan 0.000 1.165 12 K N -2.573 117.930 120.400 0.173 0.000 3.553 12 K HA -0.137 4.184 4.320 0.002 0.000 0.303 12 K C 0.979 177.598 176.600 0.032 0.000 1.327 12 K CA 1.251 57.589 56.287 0.085 0.000 0.983 12 K CB -1.670 30.885 32.500 0.091 0.000 1.275 12 K HN 1.069 nan 8.250 nan 0.000 0.453 13 G N 0.992 109.810 108.800 0.031 0.000 3.209 13 G HA2 0.192 4.153 3.960 0.002 0.000 0.274 13 G HA3 0.192 4.153 3.960 0.002 0.000 0.274 13 G C 0.632 175.524 174.900 -0.015 0.000 0.850 13 G CA 0.185 45.286 45.100 0.001 0.000 1.907 13 G HN 0.280 nan 8.290 nan 0.000 0.591 14 T N 0.651 115.192 114.554 -0.021 0.000 3.035 14 T HA -0.061 4.290 4.350 0.002 0.000 0.268 14 T C 2.410 177.090 174.700 -0.033 0.000 1.109 14 T CA 0.476 62.560 62.100 -0.027 0.000 1.119 14 T CB 0.023 68.875 68.868 -0.027 0.000 0.900 14 T HN 0.457 nan 8.240 nan 0.000 0.503 15 R N 0.598 121.074 120.500 -0.040 0.000 2.276 15 R HA 0.191 4.532 4.340 0.002 0.000 0.203 15 R C 1.931 178.195 176.300 -0.061 0.000 1.017 15 R CA 0.503 56.575 56.100 -0.046 0.000 1.010 15 R CB -0.164 30.106 30.300 -0.050 0.000 0.900 15 R HN 0.343 nan 8.270 nan 0.000 0.469 16 M N 0.728 120.284 119.600 -0.074 0.000 2.419 16 M HA -0.017 4.464 4.480 0.002 0.000 0.264 16 M C 0.213 176.468 176.300 -0.075 0.000 1.082 16 M CA 0.885 56.115 55.300 -0.117 0.000 1.119 16 M CB -0.144 32.354 32.600 -0.171 0.000 1.398 16 M HN -0.069 nan 8.290 nan 0.000 0.453 17 K N 1.321 121.698 120.400 -0.037 0.000 3.244 17 K HA -0.119 4.202 4.320 0.002 0.000 0.270 17 K C -0.089 176.516 176.600 0.009 0.000 1.016 17 K CA 0.453 56.731 56.287 -0.015 0.000 0.754 17 K CB -2.274 30.215 32.500 -0.018 0.000 1.326 17 K HN 0.429 nan 8.250 nan 0.000 0.465 18 S N -0.580 115.140 115.700 0.033 0.000 2.569 18 S HA 0.472 4.943 4.470 0.002 0.000 0.280 18 S C 0.079 174.724 174.600 0.073 0.000 1.111 18 S CA -0.735 57.519 58.200 0.091 0.000 0.887 18 S CB 1.569 64.910 63.200 0.235 0.000 1.095 18 S HN 0.143 nan 8.310 nan 0.000 0.476 19 D N 1.460 121.897 120.400 0.061 0.000 2.339 19 D HA 0.160 4.801 4.640 0.002 0.000 0.217 19 D C 0.129 176.454 176.300 0.041 0.000 1.050 19 D CA 0.176 54.198 54.000 0.036 0.000 0.856 19 D CB 0.177 40.988 40.800 0.018 0.000 0.922 19 D HN 0.327 nan 8.370 nan 0.000 0.518 20 L N 1.641 122.899 121.223 0.058 0.000 2.326 20 L HA 0.336 4.677 4.340 0.002 0.000 0.278 20 L C -2.383 174.533 176.870 0.075 0.000 1.092 20 L CA -1.618 53.230 54.840 0.014 0.000 0.810 20 L CB 0.879 42.860 42.059 -0.131 0.000 1.153 20 L HN -0.310 nan 8.230 nan 0.000 0.439 21 P HA -0.002 nan 4.420 nan 0.000 0.262 21 P C 0.093 177.476 177.300 0.138 0.000 1.182 21 P CA 0.116 63.273 63.100 0.096 0.000 0.761 21 P CB 0.487 32.233 31.700 0.077 0.000 0.795 22 K N 3.247 123.743 120.400 0.161 0.000 2.052 22 K HA -0.223 4.098 4.320 0.002 0.000 0.215 22 K C 1.435 178.152 176.600 0.195 0.000 1.053 22 K CA 2.364 58.770 56.287 0.198 0.000 0.934 22 K CB -0.543 32.005 32.500 0.081 0.000 0.717 22 K HN 0.375 nan 8.250 nan 0.000 0.450 23 V N -0.747 119.226 119.914 0.099 0.000 3.241 23 V HA -0.073 4.048 4.120 0.002 0.000 0.269 23 V C 1.600 177.720 176.094 0.042 0.000 1.151 23 V CA 1.208 63.539 62.300 0.052 0.000 1.158 23 V CB -0.489 31.336 31.823 0.004 0.000 0.764 23 V HN 0.243 nan 8.190 nan 0.000 0.508 24 L N -0.759 120.491 121.223 0.044 0.000 2.567 24 L HA 0.234 4.575 4.340 0.002 0.000 0.225 24 L C 1.085 177.911 176.870 -0.074 0.000 1.119 24 L CA 0.003 54.829 54.840 -0.023 0.000 0.871 24 L CB -0.532 41.493 42.059 -0.056 0.000 1.036 24 L HN 0.419 nan 8.230 nan 0.000 0.459 25 H N 2.372 121.450 119.070 0.013 0.000 2.848 25 H HA 0.104 4.661 4.556 0.002 0.000 0.341 25 H C 0.088 175.433 175.328 0.028 0.000 1.060 25 H CA 0.387 56.444 56.048 0.016 0.000 1.444 25 H CB 0.821 30.587 29.762 0.008 0.000 1.446 25 H HN -0.008 nan 8.280 nan 0.000 0.583 26 K N 2.407 122.866 120.400 0.097 0.000 2.154 26 K HA 0.338 4.659 4.320 0.002 0.000 0.264 26 K C -0.379 176.294 176.600 0.122 0.000 1.008 26 K CA -0.673 55.673 56.287 0.099 0.000 0.937 26 K CB 1.660 34.200 32.500 0.066 0.000 1.002 26 K HN 0.222 nan 8.250 nan 0.000 0.469 27 V N 0.942 120.957 119.914 0.169 0.000 2.567 27 V HA 0.254 4.375 4.120 0.002 0.000 0.298 27 V C -0.123 176.117 176.094 0.243 0.000 1.047 27 V CA -0.714 61.672 62.300 0.143 0.000 0.880 27 V CB 1.266 33.099 31.823 0.017 0.000 1.009 27 V HN 0.922 nan 8.190 nan 0.000 0.429 28 A N 3.969 126.880 122.820 0.151 0.000 2.640 28 A HA 0.080 4.401 4.320 0.002 0.000 0.300 28 A C 1.797 179.465 177.584 0.139 0.000 1.499 28 A CA 1.641 53.769 52.037 0.152 0.000 0.759 28 A CB -1.441 17.658 19.000 0.164 0.000 1.048 28 A HN 2.715 nan 8.150 nan 0.000 0.450 29 G N -2.179 106.683 108.800 0.104 0.000 2.258 29 G HA2 -0.135 3.826 3.960 0.002 0.000 0.233 29 G HA3 -0.135 3.826 3.960 0.002 0.000 0.233 29 G C 0.409 175.330 174.900 0.034 0.000 1.006 29 G CA 0.487 45.625 45.100 0.063 0.000 0.620 29 G HN 2.447 nan 8.290 nan 0.000 0.511 30 I N -0.943 119.639 120.570 0.021 0.000 3.074 30 I HA 0.807 4.978 4.170 0.002 0.000 0.310 30 I C 0.502 176.621 176.117 0.004 0.000 1.153 30 I CA -0.557 60.713 61.300 -0.050 0.000 0.993 30 I CB 1.969 39.850 38.000 -0.198 0.000 1.237 30 I HN 0.391 nan 8.210 nan 0.000 0.443 31 S N 3.521 119.218 115.700 -0.005 0.000 2.576 31 S HA 0.190 4.661 4.470 0.002 0.000 0.272 31 S C 0.944 175.600 174.600 0.093 0.000 1.352 31 S CA -0.485 57.735 58.200 0.034 0.000 1.021 31 S CB 0.915 64.112 63.200 -0.006 0.000 0.887 31 S HN 0.816 nan 8.310 nan 0.000 0.542 32 M N 0.616 120.280 119.600 0.107 0.000 2.159 32 M HA -0.087 4.394 4.480 0.002 0.000 0.263 32 M C 2.024 178.320 176.300 -0.008 0.000 1.063 32 M CA 1.212 56.578 55.300 0.110 0.000 1.110 32 M CB -0.767 31.855 32.600 0.038 0.000 1.374 32 M HN 0.750 nan 8.290 nan 0.000 0.411 33 L N 1.068 122.217 121.223 -0.124 0.000 2.012 33 L HA -0.199 4.142 4.340 0.002 0.000 0.210 33 L C 2.036 178.555 176.870 -0.586 0.000 1.073 33 L CA 2.011 56.622 54.840 -0.381 0.000 0.748 33 L CB -0.616 41.210 42.059 -0.388 0.000 0.891 33 L HN 0.287 nan 8.230 nan 0.000 0.431 34 E N -1.661 118.347 120.200 -0.319 0.000 2.110 34 E HA -0.219 4.132 4.350 0.002 0.000 0.193 34 E C 2.065 178.608 176.600 -0.095 0.000 0.988 34 E CA 1.120 57.426 56.400 -0.157 0.000 0.804 34 E CB -0.304 29.357 29.700 -0.065 0.000 0.745 34 E HN 0.639 nan 8.360 nan 0.000 0.458 35 H N 0.172 119.205 119.070 -0.062 0.000 2.353 35 H HA -0.073 4.484 4.556 0.002 0.000 0.300 35 H C 2.350 177.659 175.328 -0.032 0.000 1.090 35 H CA 1.180 57.211 56.048 -0.028 0.000 1.327 35 H CB -0.033 29.707 29.762 -0.037 0.000 1.383 35 H HN 0.047 nan 8.280 nan 0.000 0.508 36 V N 1.043 120.972 119.914 0.025 0.000 2.343 36 V HA -0.229 3.892 4.120 0.002 0.000 0.247 36 V C 2.297 178.441 176.094 0.084 0.000 1.051 36 V CA 1.390 63.686 62.300 -0.008 0.000 1.036 36 V CB -0.699 31.066 31.823 -0.097 0.000 0.654 36 V HN 0.178 nan 8.190 nan 0.000 0.451 37 F N 0.814 120.775 119.950 0.018 0.000 2.171 37 F HA -0.121 4.407 4.527 0.002 0.000 0.300 37 F C 2.525 178.325 175.800 -0.000 0.000 1.090 37 F CA 1.304 59.304 58.000 -0.000 0.000 1.293 37 F CB -0.911 38.086 39.000 -0.005 0.000 1.013 37 F HN 0.076 nan 8.300 nan 0.000 0.486 38 R N -0.579 120.041 120.500 0.201 0.000 2.092 38 R HA -0.077 4.264 4.340 0.002 0.000 0.231 38 R C 2.409 178.757 176.300 0.081 0.000 1.119 38 R CA 1.390 57.557 56.100 0.112 0.000 0.970 38 R CB -0.543 29.801 30.300 0.075 0.000 0.864 38 R HN 0.086 nan 8.270 nan 0.000 0.440 39 S N -0.070 115.678 115.700 0.080 0.000 2.387 39 S HA -0.065 4.406 4.470 0.002 0.000 0.226 39 S C 1.979 176.603 174.600 0.041 0.000 1.026 39 S CA 0.890 59.118 58.200 0.047 0.000 0.972 39 S CB 0.001 63.221 63.200 0.032 0.000 0.814 39 S HN 0.055 nan 8.310 nan 0.000 0.477 40 V N 1.767 121.722 119.914 0.069 0.000 2.407 40 V HA -0.144 3.977 4.120 0.002 0.000 0.248 40 V C 2.567 178.684 176.094 0.039 0.000 1.055 40 V CA 1.841 64.177 62.300 0.061 0.000 1.049 40 V CB -1.383 30.506 31.823 0.110 0.000 0.662 40 V HN 0.591 nan 8.190 nan 0.000 0.455 41 G N -0.288 108.538 108.800 0.043 0.000 2.485 41 G HA2 -0.253 3.708 3.960 0.002 0.000 0.221 41 G HA3 -0.253 3.708 3.960 0.002 0.000 0.221 41 G C 1.692 176.594 174.900 0.004 0.000 1.115 41 G CA 0.974 46.084 45.100 0.016 0.000 0.751 41 G HN 0.630 nan 8.290 nan 0.000 0.567 42 A N 1.058 123.881 122.820 0.005 0.000 2.070 42 A HA 0.021 4.341 4.320 0.002 0.000 0.220 42 A C 2.286 179.859 177.584 -0.019 0.000 1.159 42 A CA 1.342 53.375 52.037 -0.007 0.000 0.656 42 A CB -0.391 18.604 19.000 -0.008 0.000 0.800 42 A HN 0.857 nan 8.150 nan 0.000 0.453 43 I N -4.669 115.889 120.570 -0.020 0.000 3.793 43 I HA 0.136 4.307 4.170 0.002 0.000 0.315 43 I C 0.237 176.332 176.117 -0.036 0.000 1.275 43 I CA 0.199 61.479 61.300 -0.033 0.000 1.214 43 I CB -0.410 37.571 38.000 -0.033 0.000 1.018 43 I HN 0.285 nan 8.210 nan 0.000 0.439 44 Q N 1.793 121.576 119.800 -0.028 0.000 2.443 44 Q HA -0.121 4.220 4.340 0.002 0.000 0.337 44 Q C -2.026 173.945 176.000 -0.048 0.000 1.401 44 Q CA -0.071 55.712 55.803 -0.033 0.000 0.943 44 Q CB -1.338 27.380 28.738 -0.034 0.000 1.177 44 Q HN 0.508 nan 8.270 nan 0.000 0.394 45 P HA -0.010 nan 4.420 nan 0.000 0.271 45 P C 0.169 177.444 177.300 -0.041 0.000 1.220 45 P CA 0.229 63.298 63.100 -0.052 0.000 0.768 45 P CB 1.134 32.837 31.700 0.004 0.000 0.848 46 E N 2.243 122.388 120.200 -0.092 0.000 2.118 46 E HA -0.114 4.237 4.350 0.002 0.000 0.195 46 E C 0.304 176.962 176.600 0.095 0.000 0.992 46 E CA 1.615 58.008 56.400 -0.012 0.000 0.804 46 E CB 0.051 29.730 29.700 -0.035 0.000 0.741 46 E HN 0.463 nan 8.360 nan 0.000 0.458 47 K N -1.085 119.431 120.400 0.194 0.000 2.502 47 K HA 0.421 4.742 4.320 0.002 0.000 0.257 47 K C -1.376 175.312 176.600 0.147 0.000 0.938 47 K CA -0.494 55.903 56.287 0.184 0.000 0.819 47 K CB 2.517 35.166 32.500 0.249 0.000 1.333 47 K HN -0.198 nan 8.250 nan 0.000 0.434 48 T N 1.260 115.842 114.554 0.045 0.000 2.881 48 T HA 0.481 4.832 4.350 0.002 0.000 0.290 48 T C -1.271 173.400 174.700 -0.049 0.000 1.000 48 T CA -0.647 61.456 62.100 0.005 0.000 0.978 48 T CB 1.511 70.336 68.868 -0.070 0.000 0.997 48 T HN 0.191 nan 8.240 nan 0.000 0.443 49 V N 2.751 122.651 119.914 -0.023 0.000 2.577 49 V HA 0.562 4.683 4.120 0.002 0.000 0.303 49 V C -0.164 175.894 176.094 -0.061 0.000 1.042 49 V CA -0.841 61.421 62.300 -0.063 0.000 0.872 49 V CB 2.154 33.977 31.823 -0.001 0.000 0.998 49 V HN 0.953 nan 8.190 nan 0.000 0.423 50 T N 3.878 118.333 114.554 -0.166 0.000 2.772 50 T HA 0.471 4.822 4.350 0.002 0.000 0.288 50 T C -0.190 174.511 174.700 0.002 0.000 0.994 50 T CA -0.342 61.704 62.100 -0.089 0.000 0.951 50 T CB 1.418 70.169 68.868 -0.194 0.000 0.933 50 T HN 0.392 nan 8.240 nan 0.000 0.447 51 V N 5.456 125.394 119.914 0.041 0.000 2.408 51 V HA 0.391 4.512 4.120 0.002 0.000 0.267 51 V C 0.689 176.832 176.094 0.082 0.000 1.047 51 V CA -0.515 61.816 62.300 0.052 0.000 0.937 51 V CB 0.414 32.246 31.823 0.014 0.000 0.999 51 V HN 0.771 nan 8.190 nan 0.000 0.472 52 V N 2.968 122.953 119.914 0.118 0.000 3.234 52 V HA 1.118 5.239 4.120 0.002 0.000 0.317 52 V C 0.403 176.505 176.094 0.013 0.000 1.147 52 V CA 0.423 62.787 62.300 0.107 0.000 1.037 52 V CB 1.644 33.576 31.823 0.181 0.000 1.148 52 V HN 0.812 nan 8.190 nan 0.000 0.455 53 G N -1.266 107.511 108.800 -0.039 0.000 3.409 53 G HA2 0.289 4.250 3.960 0.002 0.000 0.168 53 G HA3 0.289 4.250 3.960 0.002 0.000 0.168 53 G C -0.310 174.477 174.900 -0.189 0.000 1.403 53 G CA -0.453 44.529 45.100 -0.196 0.000 1.195 53 G HN 0.879 nan 8.290 nan 0.000 0.751 54 H N 1.928 121.024 119.070 0.043 0.000 2.848 54 H HA 0.233 4.790 4.556 0.002 0.000 0.341 54 H C 0.198 175.542 175.328 0.027 0.000 1.060 54 H CA 0.546 56.613 56.048 0.032 0.000 1.444 54 H CB 0.948 30.729 29.762 0.031 0.000 1.446 54 H HN 0.355 nan 8.280 nan 0.000 0.583 55 K N 0.603 121.076 120.400 0.120 0.000 3.129 55 K HA -0.226 4.095 4.320 0.002 0.000 0.273 55 K C 1.271 177.890 176.600 0.032 0.000 1.123 55 K CA 0.684 57.009 56.287 0.063 0.000 0.800 55 K CB -1.764 30.775 32.500 0.065 0.000 1.238 55 K HN 0.804 nan 8.250 nan 0.000 0.492 56 A N 1.728 124.560 122.820 0.020 0.000 1.896 56 A HA -0.307 4.014 4.320 0.002 0.000 0.220 56 A C 2.156 179.706 177.584 -0.056 0.000 1.206 56 A CA 2.289 54.324 52.037 -0.003 0.000 0.647 56 A CB -0.313 18.683 19.000 -0.006 0.000 0.828 56 A HN 0.631 nan 8.150 nan 0.000 0.455 57 E N 0.019 120.182 120.200 -0.062 0.000 2.118 57 E HA -0.230 4.121 4.350 0.002 0.000 0.195 57 E C 1.938 178.480 176.600 -0.097 0.000 0.992 57 E CA 1.538 57.878 56.400 -0.101 0.000 0.804 57 E CB -0.908 28.752 29.700 -0.066 0.000 0.741 57 E HN 0.488 nan 8.360 nan 0.000 0.458 58 L N 1.723 122.917 121.223 -0.049 0.000 2.013 58 L HA -0.171 4.170 4.340 0.002 0.000 0.212 58 L C 2.504 179.352 176.870 -0.036 0.000 1.073 58 L CA 1.525 56.345 54.840 -0.034 0.000 0.753 58 L CB -0.633 41.420 42.059 -0.010 0.000 0.890 58 L HN 0.004 nan 8.230 nan 0.000 0.432 59 V N -0.358 119.541 119.914 -0.025 0.000 2.626 59 V HA -0.234 3.887 4.120 0.002 0.000 0.252 59 V C 2.353 178.420 176.094 -0.044 0.000 1.067 59 V CA 1.900 64.211 62.300 0.020 0.000 1.081 59 V CB -0.765 31.116 31.823 0.096 0.000 0.686 59 V HN 0.548 nan 8.190 nan 0.000 0.468 60 E N 0.077 120.128 120.200 -0.248 0.000 2.190 60 E HA -0.141 4.210 4.350 0.002 0.000 0.191 60 E C 1.912 178.384 176.600 -0.213 0.000 0.978 60 E CA 0.480 56.582 56.400 -0.496 0.000 0.839 60 E CB -0.067 29.194 29.700 -0.733 0.000 0.787 60 E HN 0.610 nan 8.360 nan 0.000 0.473 61 E N 0.706 120.829 120.200 -0.129 0.000 2.527 61 E HA -0.100 4.251 4.350 0.002 0.000 0.204 61 E C 0.505 177.087 176.600 -0.030 0.000 1.132 61 E CA 0.247 56.605 56.400 -0.070 0.000 0.905 61 E CB 0.252 29.921 29.700 -0.052 0.000 0.875 61 E HN 0.037 nan 8.360 nan 0.000 0.548 62 V N -0.943 118.965 119.914 -0.009 0.000 5.317 62 V HA -0.007 4.114 4.120 0.002 0.000 0.120 62 V C 0.446 176.585 176.094 0.075 0.000 1.105 62 V CA -0.187 62.130 62.300 0.028 0.000 1.161 62 V CB -0.191 31.650 31.823 0.030 0.000 1.653 62 V HN 0.183 nan 8.190 nan 0.000 0.610 63 L N 1.419 122.724 121.223 0.137 0.000 2.697 63 L HA 0.655 4.996 4.340 0.002 0.000 0.239 63 L C 0.521 177.604 176.870 0.354 0.000 1.430 63 L CA 0.302 55.295 54.840 0.255 0.000 1.193 63 L CB -1.249 41.021 42.059 0.352 0.000 1.516 63 L HN 0.338 nan 8.230 nan 0.000 0.439 64 A N 0.667 123.615 122.820 0.213 0.000 3.623 64 A HA 0.885 5.205 4.320 0.002 0.000 0.157 64 A C 1.464 179.160 177.584 0.187 0.000 1.850 64 A CA 0.349 52.541 52.037 0.258 0.000 1.186 64 A CB -0.729 18.303 19.000 0.054 0.000 1.824 64 A HN 0.594 nan 8.150 nan 0.000 0.710 65 G N -0.244 108.639 108.800 0.139 0.000 3.581 65 G HA2 -0.390 3.571 3.960 0.002 0.000 0.336 65 G HA3 -0.390 3.571 3.960 0.002 0.000 0.336 65 G C 0.558 175.470 174.900 0.022 0.000 1.259 65 G CA 0.883 46.023 45.100 0.065 0.000 1.001 65 G HN 1.605 nan 8.290 nan 0.000 0.662 66 Q N 1.226 120.996 119.800 -0.050 0.000 3.107 66 Q HA 0.505 4.846 4.340 0.002 0.000 0.268 66 Q C 0.084 175.926 176.000 -0.264 0.000 1.382 66 Q CA 0.790 56.515 55.803 -0.130 0.000 0.927 66 Q CB -0.195 28.459 28.738 -0.139 0.000 1.755 66 Q HN 0.979 nan 8.270 nan 0.000 0.545 67 T N -0.188 114.246 114.554 -0.200 0.000 3.253 67 T HA 0.042 4.393 4.350 0.002 0.000 0.398 67 T C -1.795 172.763 174.700 -0.236 0.000 1.770 67 T CA -0.748 61.156 62.100 -0.326 0.000 1.100 67 T CB 1.011 69.477 68.868 -0.670 0.000 1.663 67 T HN 0.585 nan 8.240 nan 0.000 0.482 68 E N 2.325 122.392 120.200 -0.221 0.000 2.249 68 E HA 0.595 4.946 4.350 0.002 0.000 0.280 68 E C -0.827 175.654 176.600 -0.198 0.000 1.016 68 E CA -0.469 55.878 56.400 -0.088 0.000 0.830 68 E CB 0.879 30.558 29.700 -0.035 0.000 1.081 68 E HN 0.375 nan 8.360 nan 0.000 0.395 69 F N 1.484 121.445 119.950 0.018 0.000 2.470 69 F HA 0.493 5.020 4.527 0.001 0.000 0.329 69 F C -0.045 175.766 175.800 0.017 0.000 1.072 69 F CA -0.935 57.083 58.000 0.031 0.000 0.989 69 F CB 1.589 40.609 39.000 0.034 0.000 1.193 69 F HN 0.147 nan 8.300 nan 0.000 0.481 70 V N -1.265 118.770 119.914 0.202 0.000 2.733 70 V HA 0.674 4.795 4.120 0.002 0.000 0.306 70 V C -0.705 175.443 176.094 0.091 0.000 1.084 70 V CA -0.619 61.744 62.300 0.106 0.000 0.905 70 V CB 1.101 32.952 31.823 0.046 0.000 1.010 70 V HN 0.704 nan 8.190 nan 0.000 0.424 71 T N 5.014 119.603 114.554 0.058 0.000 2.867 71 T HA 0.644 4.995 4.350 0.002 0.000 0.282 71 T C -0.391 174.311 174.700 0.004 0.000 1.000 71 T CA -0.376 61.742 62.100 0.031 0.000 1.042 71 T CB 1.378 70.259 68.868 0.023 0.000 0.973 71 T HN 1.074 nan 8.240 nan 0.000 0.465 72 Q N 0.600 120.391 119.800 -0.015 0.000 2.339 72 Q HA 0.514 4.855 4.340 0.002 0.000 0.268 72 Q C 0.388 176.383 176.000 -0.009 0.000 1.027 72 Q CA -0.795 55.008 55.803 0.000 0.000 0.759 72 Q CB 1.260 29.991 28.738 -0.012 0.000 1.244 72 Q HN 0.548 nan 8.270 nan 0.000 0.464 73 S N 1.295 117.014 115.700 0.031 0.000 2.522 73 S HA 0.006 4.477 4.470 0.002 0.000 0.227 73 S C 0.276 174.904 174.600 0.047 0.000 0.986 73 S CA 0.423 58.637 58.200 0.024 0.000 0.929 73 S CB 0.025 63.248 63.200 0.039 0.000 0.769 73 S HN 0.663 nan 8.310 nan 0.000 0.529 74 E N 2.166 122.417 120.200 0.084 0.000 2.234 74 E HA 0.269 4.620 4.350 0.002 0.000 0.266 74 E C -1.037 175.615 176.600 0.086 0.000 0.877 74 E CA -0.589 55.853 56.400 0.070 0.000 0.758 74 E CB 1.357 31.075 29.700 0.030 0.000 1.170 74 E HN 0.434 nan 8.360 nan 0.000 0.415 75 Q N 4.659 124.499 119.800 0.066 0.000 2.421 75 Q HA 0.340 4.681 4.340 0.002 0.000 0.242 75 Q C -0.319 175.696 176.000 0.025 0.000 1.024 75 Q CA -0.213 55.639 55.803 0.082 0.000 0.891 75 Q CB 0.630 29.437 28.738 0.115 0.000 1.222 75 Q HN 0.547 nan 8.270 nan 0.000 0.483 76 L N 2.632 123.843 121.223 -0.021 0.000 3.141 76 L HA 0.461 4.802 4.340 0.002 0.000 0.267 76 L C 0.401 177.241 176.870 -0.049 0.000 1.281 76 L CA -0.188 54.592 54.840 -0.100 0.000 1.037 76 L CB 0.284 42.142 42.059 -0.335 0.000 1.407 76 L HN 1.014 nan 8.230 nan 0.000 0.566 77 G N 0.119 108.947 108.800 0.047 0.000 2.707 77 G HA2 -0.272 3.689 3.960 0.002 0.000 0.686 77 G HA3 -0.272 3.689 3.960 0.002 0.000 0.686 77 G C 0.650 175.554 174.900 0.006 0.000 1.315 77 G CA -0.179 44.977 45.100 0.092 0.000 0.832 77 G HN 0.273 nan 8.290 nan 0.000 0.573 78 T N -1.763 112.826 114.554 0.060 0.000 2.833 78 T HA 0.060 4.410 4.350 0.002 0.000 0.269 78 T C 2.588 177.204 174.700 -0.139 0.000 1.054 78 T CA 2.224 64.321 62.100 -0.006 0.000 1.135 78 T CB -0.538 68.365 68.868 0.058 0.000 0.869 78 T HN 1.930 nan 8.240 nan 0.000 0.466 79 G N 0.773 109.403 108.800 -0.283 0.000 2.421 79 G HA2 -0.264 3.697 3.960 0.002 0.000 0.216 79 G HA3 -0.264 3.697 3.960 0.002 0.000 0.216 79 G C 1.394 175.883 174.900 -0.686 0.000 1.171 79 G CA 1.005 45.801 45.100 -0.507 0.000 0.775 79 G HN 0.676 nan 8.290 nan 0.000 0.543 80 H N 1.238 119.686 119.070 -1.036 0.000 2.321 80 H HA 0.110 4.667 4.556 0.002 0.000 0.300 80 H C 2.678 177.879 175.328 -0.213 0.000 1.087 80 H CA 1.940 57.638 56.048 -0.583 0.000 1.319 80 H CB -0.396 29.136 29.762 -0.382 0.000 1.379 80 H HN 0.277 nan 8.280 nan 0.000 0.501 81 A N 0.177 122.862 122.820 -0.224 0.000 1.865 81 A HA -0.172 4.149 4.320 0.002 0.000 0.217 81 A C 2.706 180.203 177.584 -0.146 0.000 1.191 81 A CA 2.075 54.008 52.037 -0.174 0.000 0.623 81 A CB -1.374 17.589 19.000 -0.063 0.000 0.826 81 A HN 0.431 nan 8.150 nan 0.000 0.444 82 V N -0.906 118.931 119.914 -0.128 0.000 2.759 82 V HA -0.163 3.958 4.120 0.002 0.000 0.256 82 V C 2.232 178.306 176.094 -0.033 0.000 1.080 82 V CA 2.534 64.781 62.300 -0.088 0.000 1.101 82 V CB -0.343 31.388 31.823 -0.154 0.000 0.698 82 V HN 0.579 nan 8.190 nan 0.000 0.477 83 M N -0.151 119.409 119.600 -0.066 0.000 2.374 83 M HA -0.003 4.478 4.480 0.002 0.000 0.264 83 M C 1.728 178.051 176.300 0.038 0.000 1.067 83 M CA 1.800 57.140 55.300 0.066 0.000 1.103 83 M CB -0.343 32.323 32.600 0.109 0.000 1.402 83 M HN 0.269 nan 8.290 nan 0.000 0.444 84 M N -0.650 118.895 119.600 -0.091 0.000 2.460 84 M HA 0.002 4.483 4.480 0.002 0.000 0.263 84 M C 1.745 178.044 176.300 -0.002 0.000 1.071 84 M CA 1.507 56.756 55.300 -0.085 0.000 1.096 84 M CB -2.046 30.464 32.600 -0.150 0.000 1.408 84 M HN 0.514 nan 8.290 nan 0.000 0.463 85 T N -3.178 111.418 114.554 0.071 0.000 3.107 85 T HA 0.050 4.401 4.350 0.002 0.000 0.249 85 T C 1.422 176.153 174.700 0.051 0.000 1.096 85 T CA 0.239 62.393 62.100 0.090 0.000 1.012 85 T CB 0.054 69.011 68.868 0.149 0.000 0.977 85 T HN 0.467 nan 8.240 nan 0.000 0.527 86 E N 2.144 122.371 120.200 0.045 0.000 2.049 86 E HA -0.123 4.228 4.350 0.002 0.000 0.198 86 E C -0.794 175.589 176.600 -0.362 0.000 1.007 86 E CA 1.427 57.623 56.400 -0.340 0.000 0.809 86 E CB -0.952 28.686 29.700 -0.103 0.000 0.749 86 E HN 0.395 nan 8.360 nan 0.000 0.450 87 P HA -0.151 nan 4.420 nan 0.000 0.219 87 P C 0.885 178.089 177.300 -0.160 0.000 1.144 87 P CA 1.393 64.407 63.100 -0.144 0.000 0.806 87 P CB -0.000 31.654 31.700 -0.077 0.000 0.771 88 I N -3.190 117.273 120.570 -0.179 0.000 4.032 88 I HA 0.048 4.219 4.170 0.002 0.000 0.313 88 I C 1.608 177.585 176.117 -0.234 0.000 1.272 88 I CA 0.384 61.589 61.300 -0.157 0.000 1.307 88 I CB 0.196 38.145 38.000 -0.085 0.000 1.155 88 I HN -0.165 nan 8.210 nan 0.000 0.431 89 L N 0.306 121.320 121.223 -0.348 0.000 2.664 89 L HA 0.169 4.510 4.340 0.002 0.000 0.233 89 L C 0.624 177.133 176.870 -0.602 0.000 1.113 89 L CA -0.047 54.545 54.840 -0.414 0.000 0.896 89 L CB 0.135 42.128 42.059 -0.109 0.000 1.163 89 L HN 0.059 nan 8.230 nan 0.000 0.497 90 E N 1.347 121.069 120.200 -0.795 0.000 2.415 90 E HA 0.243 4.594 4.350 0.002 0.000 0.260 90 E C 1.093 177.500 176.600 -0.321 0.000 1.016 90 E CA 1.061 57.051 56.400 -0.684 0.000 0.924 90 E CB 0.406 29.762 29.700 -0.573 0.000 0.961 90 E HN 0.343 nan 8.360 nan 0.000 0.459 91 G N 4.133 112.815 108.800 -0.196 0.000 2.358 91 G HA2 -0.276 3.685 3.960 0.002 0.000 0.224 91 G HA3 -0.276 3.685 3.960 0.002 0.000 0.224 91 G C 0.260 175.115 174.900 -0.075 0.000 1.073 91 G CA 0.010 45.048 45.100 -0.103 0.000 0.635 91 G HN 0.532 nan 8.290 nan 0.000 0.509 92 L N 1.562 122.702 121.223 -0.138 0.000 2.506 92 L HA 0.444 4.785 4.340 0.002 0.000 0.281 92 L C 1.086 177.961 176.870 0.010 0.000 1.228 92 L CA 0.591 55.369 54.840 -0.104 0.000 0.850 92 L CB 1.028 42.881 42.059 -0.344 0.000 1.110 92 L HN 0.353 nan 8.230 nan 0.000 0.496 93 S N 0.320 116.098 115.700 0.130 0.000 2.608 93 S HA 0.876 5.347 4.470 0.002 0.000 0.291 93 S C 0.070 174.844 174.600 0.290 0.000 1.146 93 S CA 0.325 58.616 58.200 0.150 0.000 1.043 93 S CB 1.635 64.883 63.200 0.081 0.000 1.037 93 S HN 0.975 nan 8.310 nan 0.000 0.520 94 G N 2.494 111.360 108.800 0.110 0.000 2.295 94 G HA2 0.146 4.107 3.960 0.002 0.000 0.155 94 G HA3 0.146 4.107 3.960 0.002 0.000 0.155 94 G C -1.818 172.840 174.900 -0.405 0.000 1.307 94 G CA -0.723 44.320 45.100 -0.095 0.000 1.140 94 G HN 0.858 nan 8.290 nan 0.000 0.470 95 H N -0.406 118.798 119.070 0.224 0.000 2.759 95 H HA 0.701 5.258 4.556 0.002 0.000 0.354 95 H C -0.872 174.610 175.328 0.258 0.000 1.074 95 H CA -0.265 55.921 56.048 0.230 0.000 1.226 95 H CB 2.227 32.086 29.762 0.162 0.000 1.648 95 H HN 0.480 nan 8.280 nan 0.000 0.529 96 T N 3.426 118.203 114.554 0.372 0.000 2.809 96 T HA 0.262 4.613 4.350 0.002 0.000 0.284 96 T C -0.622 174.215 174.700 0.227 0.000 0.992 96 T CA -0.677 61.632 62.100 0.349 0.000 0.957 96 T CB 0.794 69.880 68.868 0.363 0.000 0.942 96 T HN 0.268 nan 8.240 nan 0.000 0.439 97 L N 5.475 126.800 121.223 0.170 0.000 2.276 97 L HA 0.641 4.982 4.340 0.002 0.000 0.286 97 L C -0.853 176.103 176.870 0.143 0.000 1.061 97 L CA -0.169 54.730 54.840 0.098 0.000 0.807 97 L CB 0.742 42.831 42.059 0.051 0.000 1.177 97 L HN 0.410 nan 8.230 nan 0.000 0.429 98 V N 7.469 127.483 119.914 0.167 0.000 2.378 98 V HA 0.517 4.638 4.120 0.002 0.000 0.288 98 V C -0.154 176.024 176.094 0.140 0.000 1.016 98 V CA -0.388 62.034 62.300 0.204 0.000 0.840 98 V CB 1.233 33.270 31.823 0.356 0.000 0.994 98 V HN 0.756 nan 8.190 nan 0.000 0.431 99 I N 3.329 123.952 120.570 0.089 0.000 2.769 99 I HA 0.827 4.998 4.170 0.002 0.000 0.298 99 I C 0.139 176.273 176.117 0.028 0.000 1.128 99 I CA -0.653 60.666 61.300 0.033 0.000 1.031 99 I CB 2.093 40.099 38.000 0.010 0.000 1.235 99 I HN 0.670 nan 8.210 nan 0.000 0.423 100 A N 3.947 126.769 122.820 0.002 0.000 2.340 100 A HA 0.504 4.825 4.320 0.002 0.000 0.268 100 A C 1.000 178.568 177.584 -0.027 0.000 1.100 100 A CA 0.127 52.162 52.037 -0.004 0.000 0.803 100 A CB 0.721 19.713 19.000 -0.012 0.000 1.043 100 A HN 0.999 nan 8.150 nan 0.000 0.488 101 G N 0.287 109.068 108.800 -0.031 0.000 2.848 101 G HA2 0.065 4.026 3.960 0.002 0.000 0.208 101 G HA3 0.065 4.026 3.960 0.002 0.000 0.208 101 G C 0.310 175.176 174.900 -0.056 0.000 1.152 101 G CA 0.940 45.999 45.100 -0.069 0.000 0.789 101 G HN 0.842 nan 8.290 nan 0.000 0.531 102 D N -0.526 119.849 120.400 -0.042 0.000 2.462 102 D HA 0.016 4.657 4.640 0.002 0.000 0.221 102 D C 0.812 177.077 176.300 -0.059 0.000 1.173 102 D CA -0.142 53.833 54.000 -0.042 0.000 0.831 102 D CB -0.404 40.375 40.800 -0.035 0.000 1.001 102 D HN 0.085 nan 8.370 nan 0.000 0.499 103 T N -1.145 113.370 114.554 -0.065 0.000 3.390 103 T HA 0.316 4.667 4.350 0.002 0.000 0.315 103 T C -1.767 172.884 174.700 -0.081 0.000 1.799 103 T CA -1.296 60.755 62.100 -0.082 0.000 1.553 103 T CB 1.404 70.221 68.868 -0.085 0.000 1.002 103 T HN -0.142 nan 8.240 nan 0.000 0.715 104 P HA 0.070 nan 4.420 nan 0.000 0.234 104 P C 1.094 178.303 177.300 -0.152 0.000 1.167 104 P CA 0.263 63.300 63.100 -0.106 0.000 0.763 104 P CB 0.194 31.800 31.700 -0.157 0.000 0.835 105 L N -0.995 120.142 121.223 -0.142 0.000 2.529 105 L HA 0.181 4.522 4.340 0.002 0.000 0.223 105 L C 1.471 178.282 176.870 -0.099 0.000 1.113 105 L CA -0.196 54.561 54.840 -0.138 0.000 0.861 105 L CB -0.358 41.614 42.059 -0.146 0.000 1.012 105 L HN -0.162 nan 8.230 nan 0.000 0.461 106 I N 1.234 121.753 120.570 -0.085 0.000 2.710 106 I HA -0.028 4.143 4.170 0.002 0.000 0.286 106 I C 0.959 177.052 176.117 -0.040 0.000 1.181 106 I CA 0.221 61.481 61.300 -0.066 0.000 1.430 106 I CB 0.632 38.593 38.000 -0.065 0.000 1.367 106 I HN 0.180 nan 8.210 nan 0.000 0.577 107 T N 1.720 116.253 114.554 -0.034 0.000 2.927 107 T HA 0.345 4.696 4.350 0.002 0.000 0.281 107 T C 1.249 175.939 174.700 -0.016 0.000 0.998 107 T CA -0.321 61.768 62.100 -0.019 0.000 1.019 107 T CB 1.747 70.603 68.868 -0.020 0.000 1.061 107 T HN 0.727 nan 8.240 nan 0.000 0.518 108 G N -0.232 108.564 108.800 -0.007 0.000 2.422 108 G HA2 -0.189 3.772 3.960 0.002 0.000 0.218 108 G HA3 -0.189 3.772 3.960 0.002 0.000 0.218 108 G C 1.198 176.083 174.900 -0.025 0.000 1.146 108 G CA 0.894 45.987 45.100 -0.011 0.000 0.769 108 G HN 0.939 nan 8.290 nan 0.000 0.547 109 E N 0.259 120.448 120.200 -0.020 0.000 2.153 109 E HA -0.107 4.244 4.350 0.002 0.000 0.194 109 E C 2.460 179.039 176.600 -0.035 0.000 0.988 109 E CA 1.213 57.600 56.400 -0.022 0.000 0.811 109 E CB -0.102 29.592 29.700 -0.009 0.000 0.746 109 E HN 0.384 nan 8.360 nan 0.000 0.466 110 S N 0.224 115.907 115.700 -0.029 0.000 2.395 110 S HA 0.017 4.488 4.470 0.002 0.000 0.225 110 S C 1.845 176.378 174.600 -0.112 0.000 1.027 110 S CA 0.323 58.505 58.200 -0.030 0.000 0.965 110 S CB -0.040 63.167 63.200 0.012 0.000 0.812 110 S HN 0.269 nan 8.310 nan 0.000 0.482 111 L N 1.151 122.321 121.223 -0.089 0.000 1.989 111 L HA -0.175 4.166 4.340 0.002 0.000 0.211 111 L C 2.447 179.230 176.870 -0.145 0.000 1.071 111 L CA 1.461 56.236 54.840 -0.108 0.000 0.749 111 L CB -0.574 41.447 42.059 -0.063 0.000 0.890 111 L HN 0.253 nan 8.230 nan 0.000 0.431 112 K N 0.091 120.423 120.400 -0.114 0.000 2.044 112 K HA -0.186 4.135 4.320 0.002 0.000 0.210 112 K C 1.875 178.368 176.600 -0.179 0.000 1.049 112 K CA 1.764 57.982 56.287 -0.115 0.000 0.927 112 K CB -0.171 32.285 32.500 -0.073 0.000 0.713 112 K HN 0.289 nan 8.250 nan 0.000 0.443 113 N N 0.810 119.367 118.700 -0.238 0.000 2.289 113 N HA -0.163 4.578 4.740 0.002 0.000 0.184 113 N C 1.636 176.697 175.510 -0.748 0.000 1.016 113 N CA 0.770 53.584 53.050 -0.393 0.000 0.872 113 N CB -0.195 38.079 38.487 -0.355 0.000 0.973 113 N HN 0.085 nan 8.380 nan 0.000 0.433 114 L N 1.169 121.979 121.223 -0.688 0.000 2.027 114 L HA 0.030 4.371 4.340 0.002 0.000 0.206 114 L C 1.963 178.685 176.870 -0.248 0.000 1.074 114 L CA 1.219 55.703 54.840 -0.595 0.000 0.745 114 L CB -0.520 41.334 42.059 -0.342 0.000 0.898 114 L HN 0.034 nan 8.230 nan 0.000 0.433 115 I N -0.495 119.971 120.570 -0.173 0.000 2.113 115 I HA -0.290 3.881 4.170 0.002 0.000 0.238 115 I C 2.119 178.219 176.117 -0.029 0.000 1.070 115 I CA 1.425 62.675 61.300 -0.082 0.000 1.332 115 I CB -0.619 37.316 38.000 -0.109 0.000 1.044 115 I HN 0.239 nan 8.210 nan 0.000 0.402 116 D N 0.848 121.208 120.400 -0.066 0.000 2.154 116 D HA -0.286 4.355 4.640 0.002 0.000 0.190 116 D C 1.900 178.233 176.300 0.054 0.000 1.003 116 D CA 1.625 55.609 54.000 -0.026 0.000 0.849 116 D CB -0.550 40.232 40.800 -0.031 0.000 0.942 116 D HN 0.278 nan 8.370 nan 0.000 0.446 117 F N 0.558 120.443 119.950 -0.109 0.000 2.095 117 F HA -0.244 4.284 4.527 0.001 0.000 0.298 117 F C 2.405 178.188 175.800 -0.027 0.000 1.104 117 F CA 1.924 59.886 58.000 -0.064 0.000 1.232 117 F CB -0.572 38.376 39.000 -0.085 0.000 0.987 117 F HN 0.062 nan 8.300 nan 0.000 0.475 118 H N 0.289 119.489 119.070 0.218 0.000 2.265 118 H HA -0.206 4.351 4.556 0.002 0.000 0.295 118 H C 2.194 177.550 175.328 0.047 0.000 1.084 118 H CA 2.857 58.986 56.048 0.136 0.000 1.261 118 H CB -0.625 29.163 29.762 0.043 0.000 1.360 118 H HN 0.388 nan 8.280 nan 0.000 0.487 119 I N 0.128 120.657 120.570 -0.068 0.000 2.252 119 I HA -0.255 3.916 4.170 0.002 0.000 0.245 119 I C 1.716 177.796 176.117 -0.062 0.000 1.102 119 I CA 1.125 62.347 61.300 -0.130 0.000 1.385 119 I CB -0.365 37.549 38.000 -0.144 0.000 1.064 119 I HN 0.322 nan 8.210 nan 0.000 0.414 120 N N 0.367 119.061 118.700 -0.009 0.000 2.588 120 N HA -0.183 4.558 4.740 0.002 0.000 0.190 120 N C 0.812 176.326 175.510 0.007 0.000 1.094 120 N CA 1.208 54.266 53.050 0.014 0.000 0.921 120 N CB -0.256 38.267 38.487 0.061 0.000 0.959 120 N HN 0.527 nan 8.380 nan 0.000 0.448 121 H N -0.843 118.081 119.070 -0.244 0.000 3.230 121 H HA 0.266 4.823 4.556 0.002 0.000 0.259 121 H C 0.254 175.487 175.328 -0.159 0.000 1.195 121 H CA -0.456 55.456 56.048 -0.227 0.000 1.112 121 H CB 0.664 30.234 29.762 -0.320 0.000 1.638 121 H HN -0.204 nan 8.280 nan 0.000 0.624 122 K N 0.995 121.357 120.400 -0.065 0.000 3.104 122 K HA -0.186 4.135 4.320 0.002 0.000 0.285 122 K C -0.335 176.198 176.600 -0.111 0.000 1.136 122 K CA 0.281 56.513 56.287 -0.093 0.000 0.842 122 K CB -1.439 31.028 32.500 -0.054 0.000 1.217 122 K HN 0.470 nan 8.250 nan 0.000 0.467 123 N N -0.013 118.613 118.700 -0.122 0.000 2.273 123 N HA -0.065 4.676 4.740 0.002 0.000 0.227 123 N C 1.559 177.053 175.510 -0.025 0.000 1.292 123 N CA 0.537 53.574 53.050 -0.022 0.000 0.875 123 N CB 0.543 39.112 38.487 0.136 0.000 1.105 123 N HN -0.157 nan 8.380 nan 0.000 0.434 124 V N -0.555 119.416 119.914 0.095 0.000 2.825 124 V HA 0.235 4.356 4.120 0.002 0.000 0.246 124 V C 0.686 177.029 176.094 0.414 0.000 1.068 124 V CA 1.034 63.379 62.300 0.074 0.000 1.088 124 V CB -0.337 31.290 31.823 -0.327 0.000 0.733 124 V HN 0.802 nan 8.190 nan 0.000 0.468 125 A N -0.717 122.392 122.820 0.483 0.000 2.517 125 A HA 0.707 5.028 4.320 0.002 0.000 0.297 125 A C -0.582 177.175 177.584 0.289 0.000 1.050 125 A CA -0.257 52.033 52.037 0.422 0.000 0.694 125 A CB 1.623 21.000 19.000 0.628 0.000 1.277 125 A HN 0.075 nan 8.150 nan 0.000 0.400 126 T N 2.560 117.171 114.554 0.096 0.000 2.841 126 T HA 0.531 4.882 4.350 0.002 0.000 0.285 126 T C -0.394 174.289 174.700 -0.028 0.000 0.991 126 T CA -0.092 62.079 62.100 0.117 0.000 0.966 126 T CB 0.694 69.699 68.868 0.228 0.000 0.962 126 T HN 0.470 nan 8.240 nan 0.000 0.438 127 I N 3.497 124.079 120.570 0.021 0.000 2.325 127 I HA 0.285 4.456 4.170 0.002 0.000 0.291 127 I C -0.066 175.976 176.117 -0.125 0.000 1.019 127 I CA -0.904 60.398 61.300 0.003 0.000 1.302 127 I CB 1.000 39.054 38.000 0.089 0.000 1.401 127 I HN 0.363 nan 8.210 nan 0.000 0.485 128 L N 8.393 129.486 121.223 -0.216 0.000 2.369 128 L HA 0.296 4.637 4.340 0.002 0.000 0.279 128 L C 0.494 177.267 176.870 -0.161 0.000 1.108 128 L CA 0.718 55.459 54.840 -0.166 0.000 0.852 128 L CB 0.329 42.283 42.059 -0.174 0.000 1.169 128 L HN 0.807 nan 8.230 nan 0.000 0.452 129 T N 2.377 116.846 114.554 -0.142 0.000 2.883 129 T HA 1.003 5.354 4.350 0.002 0.000 0.284 129 T C -0.446 174.185 174.700 -0.114 0.000 1.041 129 T CA -0.336 61.691 62.100 -0.121 0.000 1.007 129 T CB 1.749 70.546 68.868 -0.117 0.000 1.220 129 T HN 0.986 nan 8.240 nan 0.000 0.552 130 A N 0.066 122.840 122.820 -0.076 0.000 2.601 130 A HA 0.703 5.024 4.320 0.002 0.000 0.291 130 A C -1.519 176.010 177.584 -0.092 0.000 1.075 130 A CA -0.976 51.045 52.037 -0.026 0.000 0.671 130 A CB 1.188 20.287 19.000 0.165 0.000 1.277 130 A HN 0.851 nan 8.150 nan 0.000 0.417 131 E N 0.212 120.328 120.200 -0.138 0.000 2.183 131 E HA 0.612 4.963 4.350 0.002 0.000 0.271 131 E C -0.930 175.358 176.600 -0.520 0.000 0.919 131 E CA -0.526 55.708 56.400 -0.276 0.000 0.781 131 E CB 2.213 31.795 29.700 -0.196 0.000 1.140 131 E HN 0.612 nan 8.360 nan 0.000 0.402 132 T N 0.620 114.773 114.554 -0.668 0.000 2.903 132 T HA 0.161 4.512 4.350 0.002 0.000 0.299 132 T C -0.438 173.991 174.700 -0.453 0.000 1.093 132 T CA -0.684 60.905 62.100 -0.851 0.000 1.002 132 T CB 1.281 69.279 68.868 -1.449 0.000 1.127 132 T HN 0.269 nan 8.240 nan 0.000 0.488 133 D N 2.252 122.456 120.400 -0.328 0.000 2.340 133 D HA 0.075 4.716 4.640 0.002 0.000 0.220 133 D C 0.374 176.590 176.300 -0.139 0.000 1.039 133 D CA 0.418 54.304 54.000 -0.190 0.000 0.866 133 D CB 0.164 40.884 40.800 -0.133 0.000 0.913 133 D HN 0.611 nan 8.370 nan 0.000 0.523 134 N N 0.809 119.412 118.700 -0.161 0.000 2.791 134 N HA 0.135 4.876 4.740 0.002 0.000 0.265 134 N C -2.238 173.266 175.510 -0.009 0.000 1.580 134 N CA -1.436 51.592 53.050 -0.037 0.000 0.809 134 N CB 1.162 39.664 38.487 0.024 0.000 1.178 134 N HN -0.268 nan 8.380 nan 0.000 0.499 135 P HA -0.054 nan 4.420 nan 0.000 0.234 135 P C 0.006 177.426 177.300 0.201 0.000 1.167 135 P CA 0.169 63.260 63.100 -0.015 0.000 0.763 135 P CB -0.202 31.458 31.700 -0.066 0.000 0.835 136 F N 1.289 121.293 119.950 0.091 0.000 2.580 136 F HA 0.228 4.756 4.527 0.002 0.000 0.398 136 F C 1.569 177.447 175.800 0.129 0.000 1.023 136 F CA 1.432 59.485 58.000 0.088 0.000 1.188 136 F CB -0.433 38.595 39.000 0.047 0.000 1.005 136 F HN 0.266 nan 8.300 nan 0.000 0.546 137 G N 4.209 112.572 108.800 -0.728 0.000 2.527 137 G HA2 -0.321 3.640 3.960 0.002 0.000 0.218 137 G HA3 -0.321 3.640 3.960 0.002 0.000 0.218 137 G C 0.158 174.866 174.900 -0.320 0.000 1.177 137 G CA -0.037 44.605 45.100 -0.764 0.000 0.695 137 G HN 0.730 nan 8.290 nan 0.000 0.517 138 Y N 1.798 121.974 120.300 -0.206 0.000 2.511 138 Y HA 0.421 4.972 4.550 0.002 0.000 0.347 138 Y C 1.594 177.443 175.900 -0.085 0.000 1.257 138 Y CA 0.587 58.621 58.100 -0.109 0.000 1.469 138 Y CB 0.370 38.800 38.460 -0.050 0.000 1.353 138 Y HN 0.439 nan 8.280 nan 0.000 0.617 139 G N 2.453 111.327 108.800 0.124 0.000 2.403 139 G HA2 0.339 4.300 3.960 0.002 0.000 0.259 139 G HA3 0.339 4.300 3.960 0.002 0.000 0.259 139 G C -0.333 174.604 174.900 0.061 0.000 1.244 139 G CA -0.864 44.274 45.100 0.064 0.000 0.849 139 G HN 0.328 nan 8.290 nan 0.000 0.532 140 R N 1.152 121.669 120.500 0.029 0.000 2.459 140 R HA 0.300 4.641 4.340 0.002 0.000 0.281 140 R C -0.007 176.295 176.300 0.004 0.000 1.050 140 R CA -0.839 55.260 56.100 -0.002 0.000 1.055 140 R CB 1.309 31.594 30.300 -0.025 0.000 1.045 140 R HN 0.294 nan 8.270 nan 0.000 0.495 141 I N 3.173 123.734 120.570 -0.015 0.000 2.312 141 I HA 0.243 4.414 4.170 0.002 0.000 0.290 141 I C 0.570 176.684 176.117 -0.006 0.000 1.008 141 I CA -0.623 60.678 61.300 0.001 0.000 1.226 141 I CB 1.141 39.135 38.000 -0.010 0.000 1.371 141 I HN 0.138 nan 8.210 nan 0.000 0.468 150 L N 2.667 123.944 121.223 0.091 0.000 2.435 150 L HA 0.534 4.875 4.340 0.002 0.000 0.195 150 L C 0.820 177.744 176.870 0.090 0.000 1.072 150 L CA 1.116 56.010 54.840 0.090 0.000 0.833 150 L CB 0.028 42.134 42.059 0.078 0.000 1.081 150 L HN 0.849 nan 8.230 nan 0.000 0.485 151 R N -0.998 119.549 120.500 0.079 0.000 2.664 151 R HA 0.447 4.788 4.340 0.002 0.000 0.266 151 R C -1.380 174.960 176.300 0.066 0.000 1.046 151 R CA -0.681 55.464 56.100 0.074 0.000 0.885 151 R CB 0.874 31.214 30.300 0.067 0.000 1.254 151 R HN -0.122 nan 8.270 nan 0.000 0.465 152 I N 2.645 123.256 120.570 0.068 0.000 2.276 152 I HA 0.157 4.328 4.170 0.002 0.000 0.290 152 I C -0.109 176.040 176.117 0.053 0.000 1.109 152 I CA -0.922 60.418 61.300 0.066 0.000 1.229 152 I CB 1.395 39.449 38.000 0.090 0.000 1.452 152 I HN 0.276 nan 8.210 nan 0.000 0.497 153 V N 6.018 125.957 119.914 0.041 0.000 2.508 153 V HA 0.100 4.221 4.120 0.002 0.000 0.281 153 V C 0.808 176.919 176.094 0.028 0.000 1.041 153 V CA -0.414 61.908 62.300 0.035 0.000 1.016 153 V CB 0.571 32.412 31.823 0.030 0.000 0.984 153 V HN 0.546 nan 8.190 nan 0.000 0.478 154 E N 2.720 122.934 120.200 0.024 0.000 2.369 154 E HA 0.083 4.434 4.350 0.002 0.000 0.255 154 E C 0.870 177.475 176.600 0.008 0.000 1.172 154 E CA -0.320 56.084 56.400 0.006 0.000 0.932 154 E CB 0.707 30.404 29.700 -0.006 0.000 1.040 154 E HN 0.654 nan 8.360 nan 0.000 0.454 155 Q N 1.951 121.744 119.800 -0.011 0.000 2.061 155 Q HA -0.217 4.124 4.340 0.002 0.000 0.204 155 Q C 1.717 177.740 176.000 0.039 0.000 0.984 155 Q CA 2.497 58.305 55.803 0.008 0.000 0.846 155 Q CB -0.090 28.616 28.738 -0.053 0.000 0.902 155 Q HN 0.544 nan 8.270 nan 0.000 0.421 156 K N -0.534 119.880 120.400 0.025 0.000 2.007 156 K HA -0.083 4.238 4.320 0.002 0.000 0.206 156 K C 0.946 177.570 176.600 0.040 0.000 1.047 156 K CA 1.449 57.759 56.287 0.038 0.000 0.937 156 K CB -0.366 32.150 32.500 0.027 0.000 0.718 156 K HN 0.117 nan 8.250 nan 0.000 0.438 157 D N 1.754 122.175 120.400 0.035 0.000 2.348 157 D HA 0.065 4.706 4.640 0.002 0.000 0.248 157 D C 0.052 176.378 176.300 0.043 0.000 1.142 157 D CA 0.341 54.365 54.000 0.040 0.000 0.904 157 D CB 0.005 40.829 40.800 0.040 0.000 0.901 157 D HN 0.369 nan 8.370 nan 0.000 0.523 158 A N 1.060 123.906 122.820 0.044 0.000 2.310 158 A HA 0.465 4.786 4.320 0.002 0.000 0.299 158 A C 0.772 178.389 177.584 0.056 0.000 1.147 158 A CA -0.617 51.447 52.037 0.045 0.000 0.818 158 A CB 0.557 19.579 19.000 0.037 0.000 1.096 158 A HN 0.133 nan 8.150 nan 0.000 0.495 159 T N -0.255 114.340 114.554 0.068 0.000 2.910 159 T HA 0.194 4.545 4.350 0.002 0.000 0.293 159 T C 0.520 175.282 174.700 0.104 0.000 1.015 159 T CA -0.294 61.861 62.100 0.093 0.000 1.094 159 T CB 0.841 69.789 68.868 0.132 0.000 0.968 159 T HN 0.567 nan 8.240 nan 0.000 0.521 160 D N 0.057 120.520 120.400 0.105 0.000 2.292 160 D HA -0.137 4.504 4.640 0.002 0.000 0.205 160 D C 1.028 177.423 176.300 0.157 0.000 0.994 160 D CA 1.232 55.295 54.000 0.105 0.000 0.897 160 D CB -0.061 40.794 40.800 0.091 0.000 0.907 160 D HN 0.623 nan 8.370 nan 0.000 0.467 161 F N 1.354 121.314 119.950 0.017 0.000 2.164 161 F HA 0.043 4.571 4.527 0.002 0.000 0.287 161 F C 2.273 178.084 175.800 0.017 0.000 1.086 161 F CA 0.824 58.832 58.000 0.014 0.000 1.249 161 F CB -0.348 38.660 39.000 0.013 0.000 1.059 161 F HN -0.231 nan 8.300 nan 0.000 0.490 162 E N 0.491 120.624 120.200 -0.112 0.000 2.171 162 E HA -0.231 4.120 4.350 0.002 0.000 0.197 162 E C 1.478 177.977 176.600 -0.168 0.000 0.997 162 E CA 1.327 57.598 56.400 -0.216 0.000 0.810 162 E CB -0.188 29.488 29.700 -0.040 0.000 0.738 162 E HN 0.384 nan 8.360 nan 0.000 0.467 163 K N 0.503 120.858 120.400 -0.075 0.000 2.687 163 K HA -0.087 4.234 4.320 0.002 0.000 0.197 163 K C 1.052 177.613 176.600 -0.065 0.000 1.018 163 K CA 0.379 56.649 56.287 -0.029 0.000 1.035 163 K CB 0.178 32.695 32.500 0.027 0.000 0.834 163 K HN 0.138 nan 8.250 nan 0.000 0.496 164 Q N -0.090 119.611 119.800 -0.164 0.000 2.280 164 Q HA 0.187 4.528 4.340 0.002 0.000 0.228 164 Q C 0.473 176.362 176.000 -0.185 0.000 0.857 164 Q CA 0.036 55.739 55.803 -0.168 0.000 0.939 164 Q CB 0.663 29.275 28.738 -0.211 0.000 1.114 164 Q HN 0.334 nan 8.270 nan 0.000 0.514 165 I N 2.285 122.729 120.570 -0.209 0.000 2.662 165 I HA -0.105 4.066 4.170 0.002 0.000 0.285 165 I C 1.354 177.385 176.117 -0.142 0.000 1.161 165 I CA 0.044 61.240 61.300 -0.175 0.000 1.415 165 I CB 0.480 38.389 38.000 -0.151 0.000 1.385 165 I HN -0.226 nan 8.210 nan 0.000 0.552 166 K N 4.260 124.572 120.400 -0.146 0.000 2.155 166 K HA -0.063 4.258 4.320 0.002 0.000 0.203 166 K C 0.654 177.133 176.600 -0.203 0.000 1.052 166 K CA 0.757 56.940 56.287 -0.173 0.000 0.948 166 K CB -0.014 32.390 32.500 -0.160 0.000 0.728 166 K HN 0.575 nan 8.250 nan 0.000 0.448 167 E N 0.920 121.025 120.200 -0.158 0.000 2.257 167 E HA 0.149 4.500 4.350 0.002 0.000 0.278 167 E C -0.619 175.901 176.600 -0.133 0.000 1.049 167 E CA -0.430 55.881 56.400 -0.149 0.000 0.876 167 E CB 0.299 29.933 29.700 -0.110 0.000 1.035 167 E HN 0.145 nan 8.360 nan 0.000 0.419 168 I N 1.525 122.003 120.570 -0.152 0.000 2.910 168 I HA 0.452 4.623 4.170 0.002 0.000 0.310 168 I C -0.528 175.569 176.117 -0.034 0.000 1.043 168 I CA -1.181 60.060 61.300 -0.100 0.000 1.053 168 I CB 1.391 39.256 38.000 -0.226 0.000 1.242 168 I HN 0.314 nan 8.210 nan 0.000 0.452 169 N N 1.336 120.058 118.700 0.038 0.000 2.430 169 N HA 0.219 4.960 4.740 0.002 0.000 0.265 169 N C 0.765 176.297 175.510 0.036 0.000 1.100 169 N CA 0.332 53.401 53.050 0.031 0.000 0.961 169 N CB 0.954 39.491 38.487 0.084 0.000 1.075 169 N HN 0.874 nan 8.380 nan 0.000 0.478 170 T N 0.554 115.065 114.554 -0.072 0.000 3.081 170 T HA 0.193 4.544 4.350 0.002 0.000 0.255 170 T C 1.235 175.841 174.700 -0.155 0.000 1.113 170 T CA 0.414 62.468 62.100 -0.077 0.000 1.082 170 T CB -0.448 68.346 68.868 -0.124 0.000 0.939 170 T HN 0.733 nan 8.240 nan 0.000 0.506 171 G N 0.766 109.384 108.800 -0.303 0.000 2.136 171 G HA2 -0.201 3.760 3.960 0.002 0.000 0.242 171 G HA3 -0.201 3.760 3.960 0.002 0.000 0.242 171 G C 0.058 174.586 174.900 -0.620 0.000 0.989 171 G CA 0.145 45.039 45.100 -0.343 0.000 0.682 171 G HN 0.752 nan 8.290 nan 0.000 0.522 172 T N 0.368 114.430 114.554 -0.820 0.000 2.779 172 T HA 0.690 5.041 4.350 0.002 0.000 0.280 172 T C -0.735 173.486 174.700 -0.798 0.000 0.987 172 T CA -0.199 61.567 62.100 -0.557 0.000 0.966 172 T CB 1.376 70.069 68.868 -0.291 0.000 0.933 172 T HN 0.325 nan 8.240 nan 0.000 0.442 173 Y N 0.252 120.471 120.300 -0.135 0.000 2.609 173 Y HA 0.706 5.257 4.550 0.002 0.000 0.342 173 Y C -0.529 175.134 175.900 -0.394 0.000 1.058 173 Y CA -1.438 56.459 58.100 -0.339 0.000 1.055 173 Y CB 1.463 39.569 38.460 -0.589 0.000 1.292 173 Y HN 0.293 nan 8.280 nan 0.000 0.476 174 V N 2.437 122.100 119.914 -0.417 0.000 2.483 174 V HA 0.517 4.638 4.120 0.002 0.000 0.297 174 V C -1.180 174.557 176.094 -0.596 0.000 1.027 174 V CA -0.891 61.145 62.300 -0.440 0.000 0.855 174 V CB 1.074 32.559 31.823 -0.564 0.000 0.995 174 V HN 0.554 nan 8.190 nan 0.000 0.424 175 F N 1.023 120.969 119.950 -0.006 0.000 2.593 175 F HA 0.541 5.069 4.527 0.002 0.000 0.320 175 F C 0.293 176.229 175.800 0.227 0.000 1.060 175 F CA -1.046 57.048 58.000 0.158 0.000 0.940 175 F CB 1.411 40.491 39.000 0.134 0.000 1.268 175 F HN 0.378 nan 8.300 nan 0.000 0.475 176 D N 1.296 121.990 120.400 0.490 0.000 2.343 176 D HA 0.033 4.674 4.640 0.002 0.000 0.255 176 D C 0.882 177.341 176.300 0.265 0.000 1.187 176 D CA 0.285 54.475 54.000 0.316 0.000 0.875 176 D CB 0.938 41.854 40.800 0.193 0.000 1.136 176 D HN 0.520 nan 8.370 nan 0.000 0.469 177 N N 2.640 121.487 118.700 0.244 0.000 2.091 177 N HA -0.224 4.517 4.740 0.002 0.000 0.193 177 N C 1.203 176.852 175.510 0.232 0.000 1.021 177 N CA 1.487 54.681 53.050 0.240 0.000 0.862 177 N CB 0.256 38.882 38.487 0.232 0.000 1.018 177 N HN 0.438 nan 8.380 nan 0.000 0.429 178 E N -0.568 119.732 120.200 0.167 0.000 2.031 178 E HA -0.152 4.199 4.350 0.002 0.000 0.193 178 E C 1.910 178.600 176.600 0.151 0.000 0.994 178 E CA 0.759 57.244 56.400 0.141 0.000 0.800 178 E CB -0.046 29.703 29.700 0.081 0.000 0.752 178 E HN 0.280 nan 8.360 nan 0.000 0.447 179 R N 0.688 121.269 120.500 0.134 0.000 2.148 179 R HA -0.062 4.279 4.340 0.002 0.000 0.223 179 R C 2.383 178.813 176.300 0.215 0.000 1.088 179 R CA 0.362 56.555 56.100 0.154 0.000 0.985 179 R CB -0.713 29.618 30.300 0.053 0.000 0.880 179 R HN 0.191 nan 8.270 nan 0.000 0.451 180 L N 0.084 121.384 121.223 0.129 0.000 1.989 180 L HA -0.104 4.237 4.340 0.002 0.000 0.211 180 L C 1.810 178.511 176.870 -0.281 0.000 1.071 180 L CA 1.836 56.564 54.840 -0.186 0.000 0.749 180 L CB -0.768 41.053 42.059 -0.396 0.000 0.890 180 L HN -0.039 nan 8.230 nan 0.000 0.431 181 F N 0.196 120.123 119.950 -0.039 0.000 2.365 181 F HA -0.080 4.448 4.527 0.001 0.000 0.300 181 F C 2.390 178.179 175.800 -0.018 0.000 1.090 181 F CA 1.150 59.125 58.000 -0.041 0.000 1.408 181 F CB -0.450 38.526 39.000 -0.040 0.000 1.060 181 F HN 0.238 nan 8.300 nan 0.000 0.534 182 E N 0.273 120.568 120.200 0.159 0.000 2.006 182 E HA -0.204 4.147 4.350 0.002 0.000 0.192 182 E C 2.535 179.176 176.600 0.068 0.000 0.993 182 E CA 1.106 57.573 56.400 0.111 0.000 0.808 182 E CB -0.500 29.267 29.700 0.111 0.000 0.764 182 E HN 0.324 nan 8.360 nan 0.000 0.449 183 A N 1.538 124.395 122.820 0.062 0.000 1.917 183 A HA -0.215 4.106 4.320 0.002 0.000 0.219 183 A C 2.274 179.827 177.584 -0.051 0.000 1.182 183 A CA 1.404 53.441 52.037 0.001 0.000 0.633 183 A CB -0.852 18.106 19.000 -0.070 0.000 0.819 183 A HN 0.142 nan 8.150 nan 0.000 0.448 184 L N -1.100 120.084 121.223 -0.064 0.000 2.017 184 L HA -0.184 4.157 4.340 0.002 0.000 0.208 184 L C 2.695 179.575 176.870 0.017 0.000 1.073 184 L CA 1.523 56.363 54.840 -0.001 0.000 0.745 184 L CB -0.479 41.581 42.059 0.002 0.000 0.894 184 L HN 0.249 nan 8.230 nan 0.000 0.432 185 K N 0.530 120.954 120.400 0.040 0.000 2.063 185 K HA -0.229 4.092 4.320 0.002 0.000 0.208 185 K C 1.860 178.436 176.600 -0.039 0.000 1.048 185 K CA 1.876 58.176 56.287 0.021 0.000 0.928 185 K CB -0.490 32.040 32.500 0.049 0.000 0.713 185 K HN 0.265 nan 8.250 nan 0.000 0.442 186 N N 0.932 119.613 118.700 -0.031 0.000 2.028 186 N HA -0.115 4.626 4.740 0.002 0.000 0.194 186 N C 1.957 177.410 175.510 -0.095 0.000 1.050 186 N CA 1.951 54.974 53.050 -0.046 0.000 0.848 186 N CB -0.401 38.075 38.487 -0.017 0.000 1.038 186 N HN 0.141 nan 8.380 nan 0.000 0.423 187 I N 0.426 120.932 120.570 -0.107 0.000 2.113 187 I HA -0.366 3.805 4.170 0.002 0.000 0.242 187 I C 2.208 178.152 176.117 -0.289 0.000 1.064 187 I CA 1.682 62.890 61.300 -0.154 0.000 1.320 187 I CB -0.746 37.184 38.000 -0.116 0.000 1.028 187 I HN 0.352 nan 8.210 nan 0.000 0.406 188 N N 0.611 119.033 118.700 -0.462 0.000 2.132 188 N HA -0.223 4.518 4.740 0.002 0.000 0.191 188 N C 1.782 177.075 175.510 -0.362 0.000 1.015 188 N CA 2.531 55.164 53.050 -0.695 0.000 0.864 188 N CB -0.225 37.852 38.487 -0.684 0.000 1.006 188 N HN 0.559 nan 8.380 nan 0.000 0.430 189 T N -3.244 111.180 114.554 -0.217 0.000 2.937 189 T HA 0.079 4.430 4.350 0.002 0.000 0.260 189 T C 0.996 175.628 174.700 -0.114 0.000 1.051 189 T CA 0.652 62.670 62.100 -0.137 0.000 1.141 189 T CB -0.177 68.638 68.868 -0.088 0.000 0.879 189 T HN 0.112 nan 8.240 nan 0.000 0.459 190 N N 1.701 120.334 118.700 -0.111 0.000 2.376 190 N HA 0.190 4.931 4.740 0.002 0.000 0.249 190 N C 0.734 176.188 175.510 -0.093 0.000 1.140 190 N CA -0.049 52.951 53.050 -0.082 0.000 0.870 190 N CB 0.364 38.816 38.487 -0.059 0.000 1.124 190 N HN 0.379 nan 8.380 nan 0.000 0.505 191 N N 1.424 120.045 118.700 -0.131 0.000 2.333 191 N HA -0.032 4.709 4.740 0.002 0.000 0.178 191 N C 0.967 176.422 175.510 -0.091 0.000 1.018 191 N CA 1.052 54.023 53.050 -0.133 0.000 0.882 191 N CB 0.108 38.467 38.487 -0.213 0.000 0.984 191 N HN 0.190 nan 8.380 nan 0.000 0.434 192 A N -1.290 121.481 122.820 -0.082 0.000 2.945 192 A HA -0.260 4.061 4.320 0.002 0.000 0.263 192 A C 0.350 177.902 177.584 -0.053 0.000 1.293 192 A CA 1.635 53.638 52.037 -0.057 0.000 0.944 192 A CB -2.152 16.824 19.000 -0.041 0.000 1.093 192 A HN 0.617 nan 8.150 nan 0.000 0.786 193 Q N -2.870 116.888 119.800 -0.071 0.000 2.553 193 Q HA 0.552 4.893 4.340 0.002 0.000 0.293 193 Q C 1.108 177.068 176.000 -0.067 0.000 1.038 193 Q CA -0.040 55.728 55.803 -0.060 0.000 0.777 193 Q CB 1.285 29.986 28.738 -0.062 0.000 1.487 193 Q HN 0.628 nan 8.270 nan 0.000 0.426 194 G N 0.701 109.474 108.800 -0.046 0.000 2.456 194 G HA2 -0.068 3.893 3.960 0.002 0.000 0.213 194 G HA3 -0.068 3.893 3.960 0.002 0.000 0.213 194 G C 0.042 174.949 174.900 0.012 0.000 1.215 194 G CA 0.325 45.403 45.100 -0.036 0.000 0.805 194 G HN 0.655 nan 8.290 nan 0.000 0.537 195 E N 0.724 120.916 120.200 -0.014 0.000 2.331 195 E HA 0.335 4.686 4.350 0.002 0.000 0.272 195 E C -1.317 175.201 176.600 -0.136 0.000 1.036 195 E CA -0.789 55.592 56.400 -0.031 0.000 0.864 195 E CB 1.051 30.704 29.700 -0.078 0.000 1.035 195 E HN 0.495 nan 8.360 nan 0.000 0.408 196 Y N -0.095 119.959 120.300 -0.410 0.000 2.442 196 Y HA 0.550 5.101 4.550 0.002 0.000 0.344 196 Y C -1.475 174.179 175.900 -0.410 0.000 0.976 196 Y CA -1.969 55.831 58.100 -0.501 0.000 1.040 196 Y CB 0.420 38.734 38.460 -0.244 0.000 1.228 196 Y HN 0.274 nan 8.280 nan 0.000 0.451 197 Y N 3.191 123.497 120.300 0.011 0.000 2.352 197 Y HA 0.360 4.911 4.550 0.002 0.000 0.326 197 Y C 1.297 177.139 175.900 -0.096 0.000 1.166 197 Y CA -1.793 56.269 58.100 -0.064 0.000 1.182 197 Y CB 0.984 39.429 38.460 -0.026 0.000 1.216 197 Y HN 0.744 nan 8.280 nan 0.000 0.474 198 I N 1.560 122.145 120.570 0.026 0.000 2.530 198 I HA -0.233 3.938 4.170 0.002 0.000 0.257 198 I C 2.111 178.120 176.117 -0.179 0.000 1.179 198 I CA 2.019 63.239 61.300 -0.133 0.000 1.440 198 I CB -0.631 37.291 38.000 -0.131 0.000 1.087 198 I HN 0.862 nan 8.210 nan 0.000 0.440 199 T N -3.441 111.078 114.554 -0.058 0.000 3.072 199 T HA -0.084 4.267 4.350 0.002 0.000 0.266 199 T C 1.591 176.269 174.700 -0.037 0.000 1.127 199 T CA 0.938 63.004 62.100 -0.056 0.000 1.107 199 T CB -0.510 68.389 68.868 0.051 0.000 0.910 199 T HN 0.306 nan 8.240 nan 0.000 0.513 200 D N 1.240 121.627 120.400 -0.022 0.000 2.183 200 D HA -0.008 4.633 4.640 0.002 0.000 0.203 200 D C 2.181 178.397 176.300 -0.141 0.000 0.969 200 D CA 0.605 54.583 54.000 -0.036 0.000 0.842 200 D CB -0.069 40.727 40.800 -0.007 0.000 0.957 200 D HN 0.324 nan 8.370 nan 0.000 0.484 201 V N 1.713 121.475 119.914 -0.254 0.000 2.490 201 V HA -0.199 3.922 4.120 0.002 0.000 0.250 201 V C 2.369 178.105 176.094 -0.597 0.000 1.061 201 V CA 0.845 62.852 62.300 -0.488 0.000 1.064 201 V CB -0.201 31.207 31.823 -0.691 0.000 0.670 201 V HN 0.207 nan 8.190 nan 0.000 0.461 202 I N 1.151 121.540 120.570 -0.301 0.000 2.493 202 I HA -0.101 4.070 4.170 0.002 0.000 0.254 202 I C 2.530 178.605 176.117 -0.071 0.000 1.160 202 I CA 1.749 62.965 61.300 -0.140 0.000 1.445 202 I CB -1.786 36.211 38.000 -0.005 0.000 1.086 202 I HN 0.381 nan 8.210 nan 0.000 0.433 203 G N 1.335 110.089 108.800 -0.077 0.000 2.402 203 G HA2 -0.148 3.813 3.960 0.002 0.000 0.216 203 G HA3 -0.148 3.813 3.960 0.002 0.000 0.216 203 G C 1.625 176.522 174.900 -0.004 0.000 1.162 203 G CA 0.150 45.241 45.100 -0.015 0.000 0.777 203 G HN 0.159 nan 8.290 nan 0.000 0.539 204 I N 0.919 121.447 120.570 -0.070 0.000 2.226 204 I HA -0.056 4.115 4.170 0.002 0.000 0.245 204 I C 2.385 178.615 176.117 0.187 0.000 1.100 204 I CA 0.716 62.020 61.300 0.007 0.000 1.374 204 I CB -1.222 36.746 38.000 -0.053 0.000 1.057 204 I HN 0.063 nan 8.210 nan 0.000 0.413 205 F N 0.782 120.766 119.950 0.057 0.000 2.451 205 F HA -0.078 4.450 4.527 0.002 0.000 0.299 205 F C 2.527 178.367 175.800 0.068 0.000 1.101 205 F CA 0.611 58.654 58.000 0.072 0.000 1.436 205 F CB -1.035 38.029 39.000 0.107 0.000 1.074 205 F HN 0.105 nan 8.300 nan 0.000 0.553 206 R N 1.146 121.784 120.500 0.231 0.000 2.075 206 R HA -0.078 4.263 4.340 0.002 0.000 0.226 206 R C 1.934 178.306 176.300 0.120 0.000 1.114 206 R CA 1.207 57.399 56.100 0.153 0.000 0.972 206 R CB -0.356 30.010 30.300 0.110 0.000 0.869 206 R HN 0.303 nan 8.270 nan 0.000 0.437 207 E N -0.285 119.981 120.200 0.109 0.000 2.038 207 E HA -0.151 4.200 4.350 0.002 0.000 0.195 207 E C 1.596 178.248 176.600 0.087 0.000 1.000 207 E CA 2.044 58.495 56.400 0.084 0.000 0.803 207 E CB -0.233 29.509 29.700 0.070 0.000 0.750 207 E HN 0.480 nan 8.360 nan 0.000 0.448 208 T N -2.147 112.475 114.554 0.114 0.000 3.163 208 T HA 0.109 4.460 4.350 0.002 0.000 0.260 208 T C 1.498 176.244 174.700 0.076 0.000 1.156 208 T CA 0.579 62.736 62.100 0.094 0.000 1.072 208 T CB -0.017 68.920 68.868 0.115 0.000 0.937 208 T HN 0.356 nan 8.240 nan 0.000 0.528 209 G N 1.029 109.883 108.800 0.090 0.000 2.168 209 G HA2 -0.267 3.694 3.960 0.002 0.000 0.257 209 G HA3 -0.267 3.694 3.960 0.002 0.000 0.257 209 G C -0.197 174.741 174.900 0.062 0.000 0.997 209 G CA 0.265 45.409 45.100 0.073 0.000 0.708 209 G HN 0.680 nan 8.290 nan 0.000 0.520 210 E N -0.145 120.095 120.200 0.066 0.000 2.392 210 E HA 0.327 4.678 4.350 0.002 0.000 0.259 210 E C 0.633 177.263 176.600 0.051 0.000 1.108 210 E CA -0.372 56.026 56.400 -0.004 0.000 0.916 210 E CB 0.617 30.209 29.700 -0.180 0.000 0.989 210 E HN 0.257 nan 8.360 nan 0.000 0.432 211 K N 1.498 121.911 120.400 0.022 0.000 2.383 211 K HA 0.140 4.461 4.320 0.002 0.000 0.286 211 K C -1.314 175.371 176.600 0.143 0.000 1.051 211 K CA -0.128 56.204 56.287 0.075 0.000 0.974 211 K CB 0.424 32.952 32.500 0.047 0.000 0.968 211 K HN 0.157 nan 8.250 nan 0.000 0.475 212 V N 4.153 124.179 119.914 0.186 0.000 2.380 212 V HA 0.353 4.474 4.120 0.002 0.000 0.286 212 V C 0.543 176.770 176.094 0.222 0.000 1.015 212 V CA -0.859 61.586 62.300 0.241 0.000 0.834 212 V CB 1.344 33.324 31.823 0.261 0.000 1.009 212 V HN 0.959 nan 8.190 nan 0.000 0.428 213 G N 3.081 112.040 108.800 0.265 0.000 2.531 213 G HA2 0.819 4.780 3.960 0.002 0.000 0.313 213 G HA3 0.819 4.780 3.960 0.002 0.000 0.313 213 G C -0.613 174.423 174.900 0.227 0.000 1.238 213 G CA -0.252 45.043 45.100 0.325 0.000 0.994 213 G HN 1.172 nan 8.290 nan 0.000 0.493 214 A N -0.843 122.062 122.820 0.142 0.000 2.456 214 A HA 0.544 4.865 4.320 0.002 0.000 0.288 214 A C -1.774 175.450 177.584 -0.600 0.000 1.042 214 A CA -0.526 51.427 52.037 -0.139 0.000 0.738 214 A CB 1.133 20.104 19.000 -0.049 0.000 1.266 214 A HN 0.849 nan 8.150 nan 0.000 0.407 215 Y N 2.146 121.934 120.300 -0.854 0.000 2.326 215 Y HA 0.569 5.120 4.550 0.002 0.000 0.337 215 Y C 0.166 175.790 175.900 -0.460 0.000 1.023 215 Y CA 0.077 57.577 58.100 -1.001 0.000 1.143 215 Y CB 1.393 39.357 38.460 -0.826 0.000 1.183 215 Y HN 0.585 nan 8.280 nan 0.000 0.485 216 T N 7.573 121.569 114.554 -0.931 0.000 2.767 216 T HA 0.388 4.739 4.350 0.002 0.000 0.288 216 T C -0.063 174.217 174.700 -0.700 0.000 0.963 216 T CA -0.608 61.130 62.100 -0.603 0.000 1.019 216 T CB 0.420 69.058 68.868 -0.383 0.000 0.923 216 T HN 0.542 nan 8.240 nan 0.000 0.468 217 L N 4.010 125.022 121.223 -0.352 0.000 2.439 217 L HA 0.216 4.557 4.340 0.002 0.000 0.269 217 L C 1.895 178.672 176.870 -0.154 0.000 1.179 217 L CA -0.729 53.995 54.840 -0.193 0.000 0.828 217 L CB 0.712 42.728 42.059 -0.072 0.000 1.106 217 L HN 0.664 nan 8.230 nan 0.000 0.467 218 K N 0.704 121.043 120.400 -0.103 0.000 2.062 218 K HA -0.023 4.298 4.320 0.002 0.000 0.205 218 K C 0.296 176.872 176.600 -0.039 0.000 1.051 218 K CA 0.738 56.981 56.287 -0.073 0.000 0.941 218 K CB -0.197 32.274 32.500 -0.047 0.000 0.719 218 K HN 0.448 nan 8.250 nan 0.000 0.440 219 D N 0.388 120.771 120.400 -0.029 0.000 2.373 219 D HA 0.078 4.719 4.640 0.002 0.000 0.227 219 D C 0.200 176.505 176.300 0.008 0.000 1.091 219 D CA -0.667 53.326 54.000 -0.012 0.000 0.840 219 D CB 0.701 41.476 40.800 -0.040 0.000 1.060 219 D HN -0.080 nan 8.370 nan 0.000 0.502 220 F N 3.776 123.668 119.950 -0.097 0.000 2.216 220 F HA -0.142 4.386 4.527 0.002 0.000 0.300 220 F C 1.450 177.200 175.800 -0.084 0.000 1.085 220 F CA 1.280 59.215 58.000 -0.108 0.000 1.326 220 F CB 0.267 39.193 39.000 -0.124 0.000 1.027 220 F HN 0.320 nan 8.300 nan 0.000 0.497 221 D N 0.403 120.654 120.400 -0.248 0.000 2.263 221 D HA -0.223 4.418 4.640 0.002 0.000 0.208 221 D C 2.001 178.127 176.300 -0.290 0.000 0.971 221 D CA 1.333 55.146 54.000 -0.313 0.000 0.867 221 D CB -0.482 40.248 40.800 -0.118 0.000 0.929 221 D HN 0.643 nan 8.370 nan 0.000 0.492 222 E N 1.008 121.073 120.200 -0.225 0.000 2.418 222 E HA -0.104 4.247 4.350 0.002 0.000 0.197 222 E C 1.483 177.959 176.600 -0.206 0.000 1.026 222 E CA 0.747 57.041 56.400 -0.176 0.000 0.862 222 E CB 0.130 29.759 29.700 -0.117 0.000 0.799 222 E HN 0.149 nan 8.360 nan 0.000 0.518 223 S N 0.225 115.741 115.700 -0.306 0.000 2.558 223 S HA 0.007 4.478 4.470 0.002 0.000 0.217 223 S C 0.787 175.233 174.600 -0.258 0.000 0.975 223 S CA -0.502 57.533 58.200 -0.274 0.000 0.912 223 S CB -0.316 62.704 63.200 -0.299 0.000 0.776 223 S HN 0.307 nan 8.310 nan 0.000 0.526 224 L N 3.187 124.233 121.223 -0.295 0.000 2.706 224 L HA 0.327 4.668 4.340 0.002 0.000 0.282 224 L C 0.536 177.324 176.870 -0.136 0.000 1.219 224 L CA 0.646 55.361 54.840 -0.210 0.000 0.935 224 L CB -0.351 41.595 42.059 -0.187 0.000 1.204 224 L HN 0.290 nan 8.230 nan 0.000 0.491 225 G N 4.997 113.735 108.800 -0.104 0.000 2.343 225 G HA2 0.522 4.483 3.960 0.002 0.000 0.319 225 G HA3 0.522 4.483 3.960 0.002 0.000 0.319 225 G C -1.001 173.848 174.900 -0.086 0.000 1.126 225 G CA -0.600 44.446 45.100 -0.089 0.000 0.889 225 G HN 0.530 nan 8.290 nan 0.000 0.457 226 V N 3.589 123.457 119.914 -0.077 0.000 2.368 226 V HA 0.175 4.296 4.120 0.002 0.000 0.266 226 V C 0.254 176.304 176.094 -0.074 0.000 1.045 226 V CA -0.597 61.658 62.300 -0.075 0.000 0.899 226 V CB 1.056 32.839 31.823 -0.068 0.000 1.006 226 V HN 0.783 nan 8.190 nan 0.000 0.470 227 N N 2.796 121.448 118.700 -0.079 0.000 2.273 227 N HA 0.103 4.844 4.740 0.002 0.000 0.192 227 N C 0.061 175.521 175.510 -0.084 0.000 1.132 227 N CA 0.186 53.190 53.050 -0.078 0.000 0.887 227 N CB 1.051 39.489 38.487 -0.082 0.000 1.048 227 N HN 0.873 nan 8.380 nan 0.000 0.490 228 D N -1.560 118.788 120.400 -0.088 0.000 2.744 228 D HA 0.261 4.902 4.640 0.002 0.000 0.304 228 D C 0.486 176.725 176.300 -0.103 0.000 1.179 228 D CA -0.591 53.353 54.000 -0.093 0.000 1.024 228 D CB 0.948 41.707 40.800 -0.067 0.000 1.453 228 D HN -0.296 nan 8.370 nan 0.000 0.529 229 R N -0.500 119.941 120.500 -0.098 0.000 2.280 229 R HA 0.102 4.443 4.340 0.002 0.000 0.207 229 R C 1.664 177.932 176.300 -0.054 0.000 1.043 229 R CA 0.364 56.411 56.100 -0.088 0.000 1.006 229 R CB -0.165 30.088 30.300 -0.079 0.000 0.885 229 R HN 0.247 nan 8.270 nan 0.000 0.467 230 V N 0.623 120.510 119.914 -0.045 0.000 2.379 230 V HA -0.177 3.944 4.120 0.002 0.000 0.245 230 V C 2.316 178.391 176.094 -0.032 0.000 1.044 230 V CA 2.024 64.306 62.300 -0.029 0.000 1.036 230 V CB -0.408 31.403 31.823 -0.020 0.000 0.664 230 V HN 0.360 nan 8.190 nan 0.000 0.453 231 A N -0.517 122.277 122.820 -0.043 0.000 2.014 231 A HA -0.101 4.220 4.320 0.002 0.000 0.218 231 A C 2.089 179.640 177.584 -0.054 0.000 1.163 231 A CA 1.465 53.473 52.037 -0.048 0.000 0.652 231 A CB -0.418 18.547 19.000 -0.059 0.000 0.808 231 A HN 0.444 nan 8.150 nan 0.000 0.449 232 L N -0.225 120.964 121.223 -0.057 0.000 2.056 232 L HA -0.031 4.310 4.340 0.002 0.000 0.207 232 L C 2.646 179.498 176.870 -0.030 0.000 1.078 232 L CA 2.114 56.924 54.840 -0.049 0.000 0.749 232 L CB -0.663 41.361 42.059 -0.059 0.000 0.901 232 L HN 0.313 nan 8.230 nan 0.000 0.433 233 A N -1.750 121.055 122.820 -0.024 0.000 1.933 233 A HA -0.186 4.135 4.320 0.002 0.000 0.218 233 A C 2.262 179.840 177.584 -0.010 0.000 1.175 233 A CA 2.171 54.202 52.037 -0.009 0.000 0.628 233 A CB -1.141 17.856 19.000 -0.005 0.000 0.814 233 A HN 0.502 nan 8.150 nan 0.000 0.444 234 T N 0.191 114.732 114.554 -0.022 0.000 2.746 234 T HA -0.006 4.345 4.350 0.002 0.000 0.267 234 T C 2.217 176.890 174.700 -0.044 0.000 1.039 234 T CA 1.472 63.556 62.100 -0.027 0.000 1.142 234 T CB -0.392 68.457 68.868 -0.032 0.000 0.866 234 T HN 0.595 nan 8.240 nan 0.000 0.444 235 A N 1.577 124.362 122.820 -0.058 0.000 1.902 235 A HA -0.127 4.194 4.320 0.002 0.000 0.217 235 A C 2.287 179.828 177.584 -0.072 0.000 1.181 235 A CA 1.323 53.309 52.037 -0.084 0.000 0.623 235 A CB -0.435 18.507 19.000 -0.098 0.000 0.818 235 A HN 0.414 nan 8.150 nan 0.000 0.443 236 E N -0.407 119.772 120.200 -0.034 0.000 2.110 236 E HA -0.148 4.203 4.350 0.002 0.000 0.193 236 E C 2.333 178.940 176.600 0.012 0.000 0.988 236 E CA 1.212 57.611 56.400 -0.000 0.000 0.804 236 E CB -0.246 29.474 29.700 0.034 0.000 0.745 236 E HN 0.589 nan 8.360 nan 0.000 0.458 237 S N 0.310 116.015 115.700 0.008 0.000 2.356 237 S HA -0.132 4.339 4.470 0.002 0.000 0.223 237 S C 2.180 176.769 174.600 -0.018 0.000 1.032 237 S CA 1.280 59.486 58.200 0.010 0.000 1.005 237 S CB -0.122 63.081 63.200 0.006 0.000 0.867 237 S HN 0.055 nan 8.310 nan 0.000 0.449 238 V N 1.647 121.536 119.914 -0.041 0.000 2.295 238 V HA -0.139 3.982 4.120 0.002 0.000 0.246 238 V C 2.540 178.597 176.094 -0.063 0.000 1.049 238 V CA 2.111 64.375 62.300 -0.061 0.000 1.024 238 V CB -0.683 31.090 31.823 -0.083 0.000 0.648 238 V HN 0.496 nan 8.190 nan 0.000 0.447 239 M N 0.240 119.799 119.600 -0.069 0.000 2.159 239 M HA -0.145 4.336 4.480 0.002 0.000 0.263 239 M C 2.207 178.497 176.300 -0.016 0.000 1.063 239 M CA 1.798 57.062 55.300 -0.061 0.000 1.110 239 M CB -0.811 31.730 32.600 -0.099 0.000 1.374 239 M HN 0.226 nan 8.290 nan 0.000 0.411 240 R N -0.697 119.803 120.500 -0.000 0.000 2.081 240 R HA -0.177 4.164 4.340 0.002 0.000 0.235 240 R C 2.450 178.733 176.300 -0.029 0.000 1.131 240 R CA 1.878 57.984 56.100 0.010 0.000 0.960 240 R CB -0.321 29.995 30.300 0.026 0.000 0.856 240 R HN 0.433 nan 8.270 nan 0.000 0.436 241 R N 0.263 120.737 120.500 -0.044 0.000 2.075 241 R HA -0.114 4.227 4.340 0.002 0.000 0.232 241 R C 2.457 178.727 176.300 -0.049 0.000 1.126 241 R CA 1.512 57.575 56.100 -0.063 0.000 0.963 241 R CB -0.217 30.046 30.300 -0.063 0.000 0.858 241 R HN 0.170 nan 8.270 nan 0.000 0.435 242 R N 0.556 121.028 120.500 -0.047 0.000 2.070 242 R HA -0.120 4.221 4.340 0.002 0.000 0.233 242 R C 2.225 178.512 176.300 -0.021 0.000 1.137 242 R CA 1.908 57.986 56.100 -0.036 0.000 0.945 242 R CB -0.341 29.930 30.300 -0.047 0.000 0.845 242 R HN 0.274 nan 8.270 nan 0.000 0.430 243 I N 1.374 121.927 120.570 -0.027 0.000 2.226 243 I HA -0.293 3.878 4.170 0.002 0.000 0.245 243 I C 1.634 177.709 176.117 -0.069 0.000 1.100 243 I CA 1.254 62.525 61.300 -0.047 0.000 1.374 243 I CB -0.381 37.644 38.000 0.042 0.000 1.057 243 I HN 0.261 nan 8.210 nan 0.000 0.413 244 N N -0.297 118.368 118.700 -0.057 0.000 2.331 244 N HA -0.193 4.548 4.740 0.002 0.000 0.180 244 N C 1.731 177.042 175.510 -0.332 0.000 1.019 244 N CA 1.028 53.930 53.050 -0.245 0.000 0.881 244 N CB -0.528 37.682 38.487 -0.462 0.000 0.972 244 N HN 0.456 nan 8.380 nan 0.000 0.435 245 H N 1.341 120.262 119.070 -0.248 0.000 2.293 245 H HA 0.069 4.627 4.556 0.002 0.000 0.300 245 H C 1.689 176.933 175.328 -0.141 0.000 1.082 245 H CA 1.800 57.732 56.048 -0.192 0.000 1.308 245 H CB 0.187 29.867 29.762 -0.137 0.000 1.375 245 H HN 0.026 nan 8.280 nan 0.000 0.495 246 K N -0.718 119.610 120.400 -0.121 0.000 2.063 246 K HA -0.194 4.127 4.320 0.002 0.000 0.208 246 K C 2.186 178.690 176.600 -0.161 0.000 1.048 246 K CA 1.527 57.717 56.287 -0.162 0.000 0.928 246 K CB -0.154 32.239 32.500 -0.178 0.000 0.713 246 K HN 0.498 nan 8.250 nan 0.000 0.442 247 H N 0.268 119.321 119.070 -0.027 0.000 2.389 247 H HA -0.016 4.541 4.556 0.001 0.000 0.299 247 H C 2.119 177.485 175.328 0.064 0.000 1.081 247 H CA 1.286 57.380 56.048 0.077 0.000 1.345 247 H CB -0.091 29.836 29.762 0.276 0.000 1.393 247 H HN 0.213 nan 8.280 nan 0.000 0.520 248 M N -0.208 119.416 119.600 0.041 0.000 2.086 248 M HA -0.137 4.344 4.480 0.002 0.000 0.261 248 M C 2.510 178.765 176.300 -0.074 0.000 1.067 248 M CA 1.018 56.307 55.300 -0.018 0.000 1.116 248 M CB -0.186 32.299 32.600 -0.193 0.000 1.348 248 M HN -0.009 nan 8.290 nan 0.000 0.407 249 V N 0.701 120.498 119.914 -0.194 0.000 2.469 249 V HA -0.291 3.830 4.120 0.002 0.000 0.251 249 V C 1.733 177.798 176.094 -0.049 0.000 1.064 249 V CA 1.713 63.923 62.300 -0.148 0.000 1.066 249 V CB -0.953 30.759 31.823 -0.183 0.000 0.667 249 V HN 0.580 nan 8.190 nan 0.000 0.461 250 N N -0.432 118.263 118.700 -0.008 0.000 2.434 250 N HA 0.075 4.816 4.740 0.002 0.000 0.196 250 N C 1.306 176.846 175.510 0.050 0.000 1.183 250 N CA 0.622 53.692 53.050 0.034 0.000 0.849 250 N CB 0.310 38.840 38.487 0.072 0.000 0.992 250 N HN 0.583 nan 8.380 nan 0.000 0.460 251 G N 0.119 108.946 108.800 0.045 0.000 2.157 251 G HA2 -0.224 3.737 3.960 0.002 0.000 0.239 251 G HA3 -0.224 3.737 3.960 0.002 0.000 0.239 251 G C -0.128 174.808 174.900 0.060 0.000 0.982 251 G CA -0.055 45.071 45.100 0.043 0.000 0.650 251 G HN 0.166 nan 8.290 nan 0.000 0.527 252 V N 1.466 121.452 119.914 0.119 0.000 2.407 252 V HA 0.620 4.741 4.120 0.002 0.000 0.278 252 V C 0.810 177.026 176.094 0.204 0.000 1.037 252 V CA -0.172 62.197 62.300 0.114 0.000 0.900 252 V CB 1.646 33.548 31.823 0.132 0.000 0.983 252 V HN 0.301 nan 8.190 nan 0.000 0.459 253 S N 4.672 120.414 115.700 0.070 0.000 2.537 253 S HA 0.658 5.129 4.470 0.002 0.000 0.275 253 S C -0.739 173.908 174.600 0.078 0.000 1.272 253 S CA -0.164 58.105 58.200 0.116 0.000 1.050 253 S CB 0.198 63.412 63.200 0.023 0.000 0.961 253 S HN 0.435 nan 8.310 nan 0.000 0.496 254 F N 2.099 122.029 119.950 -0.033 0.000 2.477 254 F HA 0.352 4.880 4.527 0.001 0.000 0.335 254 F C 0.974 176.755 175.800 -0.032 0.000 1.130 254 F CA -0.953 57.023 58.000 -0.039 0.000 0.948 254 F CB 1.145 40.120 39.000 -0.041 0.000 1.154 254 F HN 0.320 nan 8.300 nan 0.000 0.439 255 V N 1.667 121.646 119.914 0.108 0.000 2.407 255 V HA -0.195 3.926 4.120 0.002 0.000 0.248 255 V C 0.539 176.683 176.094 0.083 0.000 1.055 255 V CA 1.654 63.995 62.300 0.068 0.000 1.049 255 V CB -0.495 31.343 31.823 0.025 0.000 0.662 255 V HN 0.738 nan 8.190 nan 0.000 0.455 256 N N -0.614 118.152 118.700 0.110 0.000 2.732 256 N HA 0.188 4.929 4.740 0.002 0.000 0.247 256 N C -2.081 173.475 175.510 0.078 0.000 1.305 256 N CA -1.391 51.701 53.050 0.070 0.000 0.762 256 N CB 1.617 40.127 38.487 0.039 0.000 1.361 256 N HN 0.014 nan 8.380 nan 0.000 0.545 257 P HA -0.046 nan 4.420 nan 0.000 0.228 257 P C 0.390 177.623 177.300 -0.111 0.000 1.151 257 P CA 0.846 63.894 63.100 -0.087 0.000 0.770 257 P CB 0.632 32.097 31.700 -0.391 0.000 0.786 258 E N -0.229 119.929 120.200 -0.070 0.000 2.435 258 E HA 0.107 4.458 4.350 0.002 0.000 0.195 258 E C 1.140 177.691 176.600 -0.082 0.000 1.029 258 E CA 0.351 56.714 56.400 -0.061 0.000 0.865 258 E CB 0.131 29.818 29.700 -0.021 0.000 0.833 258 E HN 0.242 nan 8.360 nan 0.000 0.510 259 A N 0.791 123.532 122.820 -0.131 0.000 2.674 259 A HA 0.299 4.620 4.320 0.002 0.000 0.286 259 A C -0.120 177.129 177.584 -0.557 0.000 0.980 259 A CA -0.336 51.577 52.037 -0.207 0.000 1.028 259 A CB 0.365 19.383 19.000 0.030 0.000 1.199 259 A HN -0.087 nan 8.150 nan 0.000 0.499 260 T N 0.167 114.270 114.554 -0.751 0.000 2.861 260 T HA 0.538 4.889 4.350 0.002 0.000 0.287 260 T C -1.364 172.835 174.700 -0.835 0.000 1.003 260 T CA -0.083 61.671 62.100 -0.578 0.000 0.977 260 T CB 0.820 69.683 68.868 -0.008 0.000 0.996 260 T HN 0.208 nan 8.240 nan 0.000 0.448 261 Y N 2.602 122.926 120.300 0.041 0.000 2.712 261 Y HA 0.563 5.114 4.550 0.002 0.000 0.328 261 Y C 0.010 175.913 175.900 0.006 0.000 0.995 261 Y CA -1.053 57.057 58.100 0.016 0.000 1.283 261 Y CB 0.148 38.589 38.460 -0.033 0.000 1.092 261 Y HN 0.442 nan 8.280 nan 0.000 0.519 262 I N 3.219 123.853 120.570 0.107 0.000 2.362 262 I HA 0.259 4.430 4.170 0.002 0.000 0.289 262 I C -0.408 175.785 176.117 0.126 0.000 0.994 262 I CA -0.895 60.470 61.300 0.108 0.000 1.158 262 I CB 1.167 39.257 38.000 0.151 0.000 1.315 262 I HN 0.416 nan 8.210 nan 0.000 0.451 263 D N 3.982 124.439 120.400 0.095 0.000 2.400 263 D HA 0.002 4.643 4.640 0.002 0.000 0.238 263 D C 1.101 177.470 176.300 0.115 0.000 1.157 263 D CA 0.071 54.128 54.000 0.096 0.000 0.889 263 D CB 1.186 42.024 40.800 0.064 0.000 1.199 263 D HN 0.477 nan 8.370 nan 0.000 0.436 264 I N 0.898 121.532 120.570 0.107 0.000 2.315 264 I HA -0.254 3.917 4.170 0.002 0.000 0.251 264 I C 1.009 177.172 176.117 0.077 0.000 1.125 264 I CA 1.669 63.028 61.300 0.098 0.000 1.392 264 I CB 0.182 38.239 38.000 0.095 0.000 1.065 264 I HN 0.224 nan 8.210 nan 0.000 0.424 265 D N -0.104 120.334 120.400 0.065 0.000 2.363 265 D HA 0.167 4.808 4.640 0.002 0.000 0.214 265 D C 0.352 176.697 176.300 0.074 0.000 1.093 265 D CA 0.114 54.148 54.000 0.058 0.000 0.837 265 D CB 0.243 41.063 40.800 0.035 0.000 0.948 265 D HN 0.088 nan 8.370 nan 0.000 0.507 266 V N 1.767 121.740 119.914 0.098 0.000 2.655 266 V HA -0.019 4.102 4.120 0.002 0.000 0.300 266 V C 0.662 176.832 176.094 0.126 0.000 1.044 266 V CA 0.278 62.630 62.300 0.087 0.000 1.095 266 V CB 0.909 32.775 31.823 0.072 0.000 0.952 266 V HN -0.006 nan 8.190 nan 0.000 0.485 267 E N 5.232 125.477 120.200 0.075 0.000 2.183 267 E HA 0.665 5.016 4.350 0.002 0.000 0.271 267 E C -1.048 175.565 176.600 0.022 0.000 0.919 267 E CA -0.536 55.917 56.400 0.089 0.000 0.781 267 E CB 2.291 32.026 29.700 0.059 0.000 1.140 267 E HN 0.511 nan 8.360 nan 0.000 0.402 268 I N 1.909 122.494 120.570 0.025 0.000 2.512 268 I HA 0.361 4.532 4.170 0.002 0.000 0.287 268 I C -0.229 175.887 176.117 -0.002 0.000 1.069 268 I CA -0.951 60.310 61.300 -0.065 0.000 1.056 268 I CB 1.876 39.710 38.000 -0.276 0.000 1.229 268 I HN 0.522 nan 8.210 nan 0.000 0.429 269 A N 7.395 130.206 122.820 -0.015 0.000 2.386 269 A HA 0.584 4.905 4.320 0.002 0.000 0.248 269 A C -2.449 175.134 177.584 -0.001 0.000 1.082 269 A CA -1.009 51.029 52.037 0.001 0.000 0.789 269 A CB -0.352 18.643 19.000 -0.008 0.000 1.025 269 A HN 0.403 nan 8.150 nan 0.000 0.490 270 P HA 0.144 nan 4.420 nan 0.000 0.269 270 P C 0.093 177.391 177.300 -0.004 0.000 1.217 270 P CA 0.350 63.459 63.100 0.014 0.000 0.783 270 P CB 0.292 32.002 31.700 0.017 0.000 0.898 271 E N -2.854 117.344 120.200 -0.004 0.000 4.028 271 E HA -0.170 4.181 4.350 0.002 0.000 0.343 271 E C -0.226 176.351 176.600 -0.038 0.000 0.700 271 E CA 0.181 56.571 56.400 -0.016 0.000 1.288 271 E CB -1.641 28.051 29.700 -0.014 0.000 1.677 271 E HN 0.170 nan 8.360 nan 0.000 0.424 272 V N 1.540 121.420 119.914 -0.057 0.000 2.811 272 V HA 0.005 4.126 4.120 0.002 0.000 0.302 272 V C 0.642 176.660 176.094 -0.127 0.000 1.063 272 V CA 0.784 63.026 62.300 -0.097 0.000 1.088 272 V CB 1.309 33.054 31.823 -0.130 0.000 0.982 272 V HN 0.097 nan 8.190 nan 0.000 0.485 273 Q N 4.521 124.238 119.800 -0.139 0.000 2.330 273 Q HA 0.610 4.951 4.340 0.002 0.000 0.269 273 Q C -1.229 174.643 176.000 -0.213 0.000 1.022 273 Q CA -0.428 55.283 55.803 -0.152 0.000 0.796 273 Q CB 2.600 31.283 28.738 -0.092 0.000 1.271 273 Q HN 0.594 nan 8.270 nan 0.000 0.450 274 I N 1.911 122.294 120.570 -0.312 0.000 2.410 274 I HA 0.274 4.445 4.170 0.002 0.000 0.286 274 I C 0.245 176.223 176.117 -0.232 0.000 1.009 274 I CA -0.614 60.472 61.300 -0.356 0.000 1.111 274 I CB 1.671 39.256 38.000 -0.693 0.000 1.262 274 I HN 0.468 nan 8.210 nan 0.000 0.443 275 E N 3.548 123.664 120.200 -0.140 0.000 2.369 275 E HA 0.470 4.821 4.350 0.002 0.000 0.255 275 E C 0.141 176.710 176.600 -0.052 0.000 1.172 275 E CA -0.577 55.780 56.400 -0.070 0.000 0.932 275 E CB 0.979 30.650 29.700 -0.048 0.000 1.040 275 E HN 0.694 nan 8.360 nan 0.000 0.454 276 A N 1.591 124.406 122.820 -0.008 0.000 2.386 276 A HA 0.011 4.332 4.320 0.002 0.000 0.246 276 A C 0.716 178.316 177.584 0.027 0.000 1.089 276 A CA 0.268 52.312 52.037 0.012 0.000 0.790 276 A CB -0.001 19.018 19.000 0.032 0.000 1.042 276 A HN 0.939 nan 8.150 nan 0.000 0.497 277 N N -1.106 117.629 118.700 0.058 0.000 2.740 277 N HA -0.142 4.599 4.740 0.002 0.000 0.248 277 N C -0.745 174.844 175.510 0.132 0.000 1.062 277 N CA 0.530 53.681 53.050 0.169 0.000 0.704 277 N CB -0.737 37.845 38.487 0.157 0.000 0.968 277 N HN 0.435 nan 8.380 nan 0.000 0.547 278 V N 1.980 121.929 119.914 0.058 0.000 2.630 278 V HA 0.573 4.694 4.120 0.002 0.000 0.305 278 V C 0.601 176.718 176.094 0.038 0.000 1.046 278 V CA -0.452 61.859 62.300 0.018 0.000 0.934 278 V CB 1.941 33.723 31.823 -0.069 0.000 1.003 278 V HN 0.132 nan 8.190 nan 0.000 0.451 279 I N 5.486 126.032 120.570 -0.040 0.000 2.418 279 I HA 0.473 4.644 4.170 0.002 0.000 0.287 279 I C -0.974 175.016 176.117 -0.211 0.000 1.008 279 I CA -0.404 60.798 61.300 -0.163 0.000 1.104 279 I CB 1.656 39.331 38.000 -0.542 0.000 1.264 279 I HN 0.275 nan 8.210 nan 0.000 0.438 280 L N 6.821 127.971 121.223 -0.123 0.000 2.343 280 L HA 0.561 4.902 4.340 0.002 0.000 0.278 280 L C -0.438 176.400 176.870 -0.052 0.000 0.996 280 L CA -0.600 54.192 54.840 -0.080 0.000 0.831 280 L CB 1.699 43.724 42.059 -0.057 0.000 1.232 280 L HN 0.558 nan 8.230 nan 0.000 0.413 281 K N 1.380 121.757 120.400 -0.039 0.000 2.400 281 K HA 0.786 5.107 4.320 0.002 0.000 0.246 281 K C 0.356 176.973 176.600 0.028 0.000 0.995 281 K CA -0.297 55.989 56.287 -0.002 0.000 0.840 281 K CB 2.403 34.904 32.500 0.002 0.000 1.293 281 K HN 0.667 nan 8.250 nan 0.000 0.445 282 G N 1.073 109.894 108.800 0.035 0.000 2.566 282 G HA2 -0.276 3.685 3.960 0.002 0.000 0.280 282 G HA3 -0.276 3.685 3.960 0.002 0.000 0.280 282 G C -0.580 174.340 174.900 0.033 0.000 1.225 282 G CA -0.251 44.870 45.100 0.036 0.000 0.966 282 G HN 0.491 nan 8.290 nan 0.000 0.560 283 Q N 1.740 121.559 119.800 0.030 0.000 3.027 283 Q HA 0.387 4.728 4.340 0.002 0.000 0.260 283 Q C 0.282 176.297 176.000 0.025 0.000 1.379 283 Q CA 0.408 56.227 55.803 0.027 0.000 1.038 283 Q CB -0.146 28.606 28.738 0.024 0.000 1.578 283 Q HN 0.483 nan 8.270 nan 0.000 0.571 284 T N 1.257 115.826 114.554 0.024 0.000 2.902 284 T HA 0.518 4.869 4.350 0.002 0.000 0.283 284 T C -0.202 174.504 174.700 0.010 0.000 1.009 284 T CA -0.517 61.592 62.100 0.015 0.000 1.051 284 T CB 1.703 70.577 68.868 0.010 0.000 0.999 284 T HN 0.241 nan 8.240 nan 0.000 0.474 285 K N 2.709 123.110 120.400 0.001 0.000 2.468 285 K HA 0.566 4.887 4.320 0.002 0.000 0.252 285 K C -1.680 174.909 176.600 -0.018 0.000 0.932 285 K CA -0.740 55.545 56.287 -0.003 0.000 0.794 285 K CB 1.106 33.609 32.500 0.005 0.000 1.241 285 K HN 0.354 nan 8.250 nan 0.000 0.428 286 I N 3.092 123.643 120.570 -0.032 0.000 2.466 286 I HA 0.318 4.489 4.170 0.002 0.000 0.289 286 I C 0.744 176.838 176.117 -0.038 0.000 1.026 286 I CA -0.574 60.698 61.300 -0.046 0.000 1.078 286 I CB 1.059 39.009 38.000 -0.082 0.000 1.249 286 I HN 0.819 nan 8.210 nan 0.000 0.429 287 G N 3.787 112.568 108.800 -0.031 0.000 2.599 287 G HA2 0.507 4.468 3.960 0.002 0.000 0.264 287 G HA3 0.507 4.468 3.960 0.002 0.000 0.264 287 G C 0.112 174.995 174.900 -0.029 0.000 1.200 287 G CA -0.382 44.704 45.100 -0.024 0.000 0.896 287 G HN 0.806 nan 8.290 nan 0.000 0.536 288 A N -0.319 122.488 122.820 -0.021 0.000 2.531 288 A HA 0.389 4.710 4.320 0.002 0.000 0.236 288 A C 0.956 178.524 177.584 -0.026 0.000 1.062 288 A CA 0.935 52.959 52.037 -0.022 0.000 0.760 288 A CB -0.288 18.704 19.000 -0.013 0.000 0.995 288 A HN 1.061 nan 8.150 nan 0.000 0.501 289 E N -0.655 119.526 120.200 -0.031 0.000 3.170 289 E HA -0.180 4.171 4.350 0.002 0.000 0.284 289 E C 0.001 176.576 176.600 -0.041 0.000 0.967 289 E CA 1.119 57.500 56.400 -0.033 0.000 0.919 289 E CB -2.042 27.644 29.700 -0.023 0.000 1.469 289 E HN 0.751 nan 8.360 nan 0.000 0.444 290 T N 0.554 115.078 114.554 -0.049 0.000 2.918 290 T HA 0.328 4.679 4.350 0.002 0.000 0.302 290 T C 0.200 174.857 174.700 -0.071 0.000 1.045 290 T CA -0.198 61.869 62.100 -0.055 0.000 1.114 290 T CB 1.433 70.267 68.868 -0.057 0.000 0.965 290 T HN -0.021 nan 8.240 nan 0.000 0.540 291 V N 4.713 124.587 119.914 -0.066 0.000 2.459 291 V HA 0.471 4.592 4.120 0.002 0.000 0.295 291 V C -0.288 175.757 176.094 -0.082 0.000 1.029 291 V CA -0.759 61.495 62.300 -0.077 0.000 0.874 291 V CB 1.445 33.232 31.823 -0.059 0.000 0.985 291 V HN 0.656 nan 8.190 nan 0.000 0.438 292 L N 4.968 126.129 121.223 -0.104 0.000 2.343 292 L HA 0.579 4.920 4.340 0.002 0.000 0.278 292 L C 0.411 177.226 176.870 -0.091 0.000 0.996 292 L CA -0.336 54.445 54.840 -0.099 0.000 0.831 292 L CB 2.079 44.063 42.059 -0.125 0.000 1.232 292 L HN 0.797 nan 8.230 nan 0.000 0.413 293 T N -1.036 113.475 114.554 -0.072 0.000 2.927 293 T HA 0.224 4.575 4.350 0.002 0.000 0.281 293 T C 0.373 175.046 174.700 -0.045 0.000 0.998 293 T CA -0.788 61.275 62.100 -0.062 0.000 1.019 293 T CB 1.397 70.225 68.868 -0.065 0.000 1.061 293 T HN 0.483 nan 8.240 nan 0.000 0.518 294 N N 0.499 119.182 118.700 -0.029 0.000 2.131 294 N HA 0.018 4.759 4.740 0.002 0.000 0.276 294 N C 1.501 177.018 175.510 0.011 0.000 1.295 294 N CA 2.130 55.180 53.050 0.000 0.000 0.818 294 N CB -0.072 38.422 38.487 0.011 0.000 1.049 294 N HN 1.230 nan 8.380 nan 0.000 0.484 295 G N 1.956 110.783 108.800 0.046 0.000 2.213 295 G HA2 -0.251 3.710 3.960 0.002 0.000 0.236 295 G HA3 -0.251 3.710 3.960 0.002 0.000 0.236 295 G C 0.320 175.270 174.900 0.084 0.000 0.991 295 G CA 0.374 45.518 45.100 0.073 0.000 0.629 295 G HN 0.684 nan 8.290 nan 0.000 0.517 296 T N 0.920 115.501 114.554 0.045 0.000 2.902 296 T HA 0.393 4.744 4.350 0.002 0.000 0.301 296 T C -0.713 174.060 174.700 0.122 0.000 1.012 296 T CA 0.702 62.835 62.100 0.055 0.000 1.151 296 T CB 0.871 69.739 68.868 -0.001 0.000 0.946 296 T HN 0.391 nan 8.240 nan 0.000 0.542 297 Y N 3.792 124.093 120.300 0.001 0.000 2.332 297 Y HA 0.515 5.066 4.550 0.001 0.000 0.326 297 Y C -1.033 174.876 175.900 0.016 0.000 0.978 297 Y CA -1.041 57.068 58.100 0.015 0.000 1.205 297 Y CB 0.999 39.464 38.460 0.009 0.000 1.131 297 Y HN 0.371 nan 8.280 nan 0.000 0.462 298 V N 6.635 126.647 119.914 0.163 0.000 2.540 298 V HA 0.662 4.783 4.120 0.002 0.000 0.302 298 V C -0.969 175.197 176.094 0.120 0.000 1.035 298 V CA -0.905 61.475 62.300 0.133 0.000 0.873 298 V CB 1.722 33.572 31.823 0.045 0.000 0.992 298 V HN 0.497 nan 8.190 nan 0.000 0.428 299 V N 2.743 122.746 119.914 0.148 0.000 2.577 299 V HA 0.482 4.603 4.120 0.002 0.000 0.303 299 V C -0.164 175.977 176.094 0.079 0.000 1.042 299 V CA -0.834 61.539 62.300 0.122 0.000 0.872 299 V CB 1.679 33.610 31.823 0.180 0.000 0.998 299 V HN 0.927 nan 8.190 nan 0.000 0.423 300 D N 2.386 122.820 120.400 0.056 0.000 2.704 300 D HA -0.156 4.485 4.640 0.002 0.000 0.232 300 D C 0.334 176.654 176.300 0.032 0.000 1.183 300 D CA 1.269 55.293 54.000 0.040 0.000 0.647 300 D CB -0.416 40.407 40.800 0.038 0.000 1.013 300 D HN 0.630 nan 8.370 nan 0.000 0.415 301 S N -0.928 114.790 115.700 0.030 0.000 2.632 301 S HA 0.665 5.136 4.470 0.002 0.000 0.289 301 S C 0.029 174.636 174.600 0.012 0.000 1.115 301 S CA -0.690 57.522 58.200 0.021 0.000 0.889 301 S CB 2.677 65.892 63.200 0.026 0.000 1.116 301 S HN 0.046 nan 8.310 nan 0.000 0.486 302 T N 2.391 116.949 114.554 0.006 0.000 2.792 302 T HA 0.555 4.906 4.350 0.002 0.000 0.280 302 T C -0.819 173.878 174.700 -0.004 0.000 0.990 302 T CA -0.433 61.668 62.100 0.001 0.000 0.960 302 T CB 0.368 69.237 68.868 0.002 0.000 0.939 302 T HN 0.319 nan 8.240 nan 0.000 0.439 303 I N 2.737 123.301 120.570 -0.010 0.000 2.433 303 I HA 0.477 4.648 4.170 0.002 0.000 0.292 303 I C 1.054 177.161 176.117 -0.017 0.000 1.001 303 I CA -0.614 60.677 61.300 -0.016 0.000 1.119 303 I CB 1.383 39.368 38.000 -0.024 0.000 1.289 303 I HN 0.705 nan 8.210 nan 0.000 0.438 304 G N 3.802 112.593 108.800 -0.014 0.000 2.508 304 G HA2 0.574 4.535 3.960 0.002 0.000 0.278 304 G HA3 0.574 4.535 3.960 0.002 0.000 0.278 304 G C -0.240 174.650 174.900 -0.017 0.000 1.389 304 G CA -0.355 44.737 45.100 -0.013 0.000 1.050 304 G HN 0.745 nan 8.290 nan 0.000 0.522 305 A N -2.214 120.598 122.820 -0.014 0.000 2.302 305 A HA 0.587 4.908 4.320 0.002 0.000 0.285 305 A C 1.379 178.953 177.584 -0.016 0.000 1.105 305 A CA 0.754 52.781 52.037 -0.016 0.000 0.816 305 A CB 0.152 19.144 19.000 -0.012 0.000 1.067 305 A HN 2.480 nan 8.150 nan 0.000 0.489 306 G N -0.545 108.243 108.800 -0.019 0.000 2.168 306 G HA2 0.131 4.092 3.960 0.002 0.000 0.257 306 G HA3 0.131 4.092 3.960 0.002 0.000 0.257 306 G C 0.556 175.446 174.900 -0.017 0.000 0.997 306 G CA 0.759 45.849 45.100 -0.017 0.000 0.708 306 G HN 2.032 nan 8.290 nan 0.000 0.520 307 A N -1.103 121.704 122.820 -0.022 0.000 2.271 307 A HA 0.834 5.155 4.320 0.002 0.000 0.288 307 A C 0.066 177.633 177.584 -0.027 0.000 1.094 307 A CA 0.087 52.112 52.037 -0.020 0.000 0.828 307 A CB 1.638 20.624 19.000 -0.023 0.000 1.091 307 A HN 1.191 nan 8.150 nan 0.000 0.493 308 V N 2.575 122.474 119.914 -0.024 0.000 2.447 308 V HA 0.293 4.414 4.120 0.002 0.000 0.292 308 V C -1.041 175.030 176.094 -0.039 0.000 1.021 308 V CA -0.366 61.915 62.300 -0.032 0.000 0.850 308 V CB 1.291 33.099 31.823 -0.024 0.000 1.005 308 V HN 0.650 nan 8.190 nan 0.000 0.426 309 I N 3.764 124.304 120.570 -0.050 0.000 2.330 309 I HA 0.424 4.595 4.170 0.002 0.000 0.289 309 I C 0.362 176.437 176.117 -0.069 0.000 1.001 309 I CA -0.098 61.168 61.300 -0.055 0.000 1.193 309 I CB 1.459 39.432 38.000 -0.045 0.000 1.345 309 I HN 0.489 nan 8.210 nan 0.000 0.461 310 T N 5.608 120.107 114.554 -0.091 0.000 2.770 310 T HA 0.194 4.545 4.350 0.002 0.000 0.297 310 T C 0.693 175.292 174.700 -0.168 0.000 0.997 310 T CA -0.427 61.600 62.100 -0.123 0.000 0.949 310 T CB 0.298 69.083 68.868 -0.137 0.000 0.941 310 T HN 0.551 nan 8.240 nan 0.000 0.457 311 N N 2.672 121.286 118.700 -0.144 0.000 2.689 311 N HA -0.188 4.553 4.740 0.002 0.000 0.263 311 N C -0.798 174.638 175.510 -0.124 0.000 0.987 311 N CA 0.628 53.587 53.050 -0.152 0.000 0.782 311 N CB -0.739 37.562 38.487 -0.309 0.000 0.903 311 N HN 0.611 nan 8.380 nan 0.000 0.547 312 S N 0.220 115.891 115.700 -0.050 0.000 2.632 312 S HA 0.595 5.066 4.470 0.002 0.000 0.289 312 S C -0.109 174.516 174.600 0.041 0.000 1.115 312 S CA -0.761 57.431 58.200 -0.014 0.000 0.889 312 S CB 2.287 65.467 63.200 -0.033 0.000 1.116 312 S HN 0.349 nan 8.310 nan 0.000 0.486 313 M N 2.562 122.192 119.600 0.051 0.000 2.167 313 M HA 0.588 5.069 4.480 0.002 0.000 0.333 313 M C -1.948 174.456 176.300 0.173 0.000 1.030 313 M CA -0.419 54.927 55.300 0.077 0.000 0.963 313 M CB 0.351 32.879 32.600 -0.120 0.000 1.589 313 M HN 0.574 nan 8.290 nan 0.000 0.431 314 I N 4.600 125.259 120.570 0.149 0.000 2.439 314 I HA 0.359 4.530 4.170 0.002 0.000 0.285 314 I C -1.036 175.149 176.117 0.114 0.000 1.021 314 I CA -0.545 60.822 61.300 0.111 0.000 1.091 314 I CB 1.984 40.023 38.000 0.065 0.000 1.242 314 I HN 0.678 nan 8.210 nan 0.000 0.439 315 E N 5.676 125.927 120.200 0.085 0.000 2.234 315 E HA 0.333 4.684 4.350 0.002 0.000 0.266 315 E C -0.931 175.689 176.600 0.033 0.000 0.877 315 E CA -0.834 55.610 56.400 0.073 0.000 0.758 315 E CB 1.596 31.345 29.700 0.082 0.000 1.170 315 E HN 0.458 nan 8.360 nan 0.000 0.415 316 E N 0.915 121.136 120.200 0.035 0.000 2.149 316 E HA -0.219 4.132 4.350 0.002 0.000 0.191 316 E C -0.696 175.908 176.600 0.007 0.000 1.384 316 E CA 0.452 56.864 56.400 0.019 0.000 0.698 316 E CB -1.183 28.526 29.700 0.014 0.000 1.086 316 E HN 0.339 nan 8.360 nan 0.000 0.338 317 S N -0.307 115.398 115.700 0.008 0.000 2.732 317 S HA 0.669 5.140 4.470 0.002 0.000 0.293 317 S C -0.602 173.998 174.600 -0.000 0.000 1.159 317 S CA -0.415 57.784 58.200 -0.002 0.000 0.847 317 S CB 2.197 65.391 63.200 -0.009 0.000 1.169 317 S HN 0.318 nan 8.310 nan 0.000 0.501 318 S N 0.345 116.042 115.700 -0.005 0.000 2.557 318 S HA 0.759 5.230 4.470 0.002 0.000 0.291 318 S C -1.525 173.070 174.600 -0.008 0.000 1.116 318 S CA -0.526 57.671 58.200 -0.004 0.000 0.992 318 S CB 1.132 64.331 63.200 -0.003 0.000 1.028 318 S HN 0.456 nan 8.310 nan 0.000 0.484 319 V N 3.390 123.299 119.914 -0.008 0.000 2.483 319 V HA 0.788 4.909 4.120 0.002 0.000 0.297 319 V C 0.792 176.881 176.094 -0.008 0.000 1.027 319 V CA -0.439 61.855 62.300 -0.011 0.000 0.855 319 V CB 1.035 32.850 31.823 -0.014 0.000 0.995 319 V HN 1.237 nan 8.190 nan 0.000 0.424 320 A N 3.455 126.272 122.820 -0.006 0.000 2.292 320 A HA 0.485 4.806 4.320 0.002 0.000 0.265 320 A C 0.024 177.605 177.584 -0.004 0.000 1.133 320 A CA -0.377 51.658 52.037 -0.003 0.000 0.807 320 A CB 0.064 19.064 19.000 0.000 0.000 1.102 320 A HN 0.800 nan 8.150 nan 0.000 0.502 321 D N -0.494 119.904 120.400 -0.003 0.000 2.443 321 D HA 0.398 5.039 4.640 0.002 0.000 0.239 321 D C 1.232 177.531 176.300 -0.001 0.000 1.136 321 D CA 1.692 55.690 54.000 -0.004 0.000 0.879 321 D CB 0.335 41.133 40.800 -0.003 0.000 1.195 321 D HN 1.150 nan 8.370 nan 0.000 0.443 322 G N 0.596 109.394 108.800 -0.003 0.000 2.155 322 G HA2 -0.262 3.699 3.960 0.002 0.000 0.257 322 G HA3 -0.262 3.699 3.960 0.002 0.000 0.257 322 G C 0.350 175.256 174.900 0.009 0.000 0.983 322 G CA 0.319 45.420 45.100 0.001 0.000 0.676 322 G HN 0.485 nan 8.290 nan 0.000 0.528 323 V N 1.604 121.521 119.914 0.005 0.000 2.686 323 V HA 0.560 4.681 4.120 0.002 0.000 0.295 323 V C 1.006 177.108 176.094 0.013 0.000 1.055 323 V CA 0.620 62.926 62.300 0.010 0.000 1.050 323 V CB 1.394 33.213 31.823 -0.006 0.000 0.984 323 V HN 0.752 nan 8.190 nan 0.000 0.482 324 T N 2.005 116.585 114.554 0.043 0.000 2.792 324 T HA 0.750 5.101 4.350 0.002 0.000 0.280 324 T C -0.838 173.841 174.700 -0.035 0.000 0.990 324 T CA -0.671 61.464 62.100 0.058 0.000 0.960 324 T CB 1.395 70.382 68.868 0.200 0.000 0.939 324 T HN 0.316 nan 8.240 nan 0.000 0.439 325 V N 2.710 122.579 119.914 -0.075 0.000 2.588 325 V HA 0.908 5.029 4.120 0.002 0.000 0.304 325 V C 0.767 176.776 176.094 -0.141 0.000 1.042 325 V CA 0.349 62.564 62.300 -0.141 0.000 0.877 325 V CB 0.955 32.721 31.823 -0.096 0.000 0.996 325 V HN 1.595 nan 8.190 nan 0.000 0.425 326 G N 5.877 114.561 108.800 -0.193 0.000 2.566 326 G HA2 -0.013 3.948 3.960 0.002 0.000 0.599 326 G HA3 -0.013 3.948 3.960 0.002 0.000 0.599 326 G C -3.190 171.579 174.900 -0.217 0.000 1.292 326 G CA -0.458 44.517 45.100 -0.209 0.000 0.922 326 G HN 0.694 nan 8.290 nan 0.000 0.514 327 P HA 0.440 nan 4.420 nan 0.000 0.276 327 P C -0.491 176.512 177.300 -0.494 0.000 1.252 327 P CA 0.249 63.032 63.100 -0.528 0.000 0.802 327 P CB 0.137 31.344 31.700 -0.821 0.000 1.035 328 Y N -3.065 117.175 120.300 -0.100 0.000 3.234 328 Y HA -0.119 4.432 4.550 0.002 0.000 0.207 328 Y C 0.509 176.383 175.900 -0.042 0.000 1.316 328 Y CA 0.566 58.639 58.100 -0.045 0.000 1.309 328 Y CB -2.726 35.751 38.460 0.029 0.000 1.408 328 Y HN 0.568 nan 8.280 nan 0.000 0.544 329 A N -0.151 122.691 122.820 0.035 0.000 2.330 329 A HA 0.796 5.117 4.320 0.002 0.000 0.329 329 A C -0.742 176.918 177.584 0.127 0.000 1.135 329 A CA -0.593 51.472 52.037 0.047 0.000 0.817 329 A CB 1.354 20.323 19.000 -0.051 0.000 1.269 329 A HN 0.604 nan 8.150 nan 0.000 0.469 330 H N 1.638 120.711 119.070 0.004 0.000 2.906 330 H HA 0.448 5.005 4.556 0.002 0.000 0.324 330 H C -1.438 173.885 175.328 -0.010 0.000 0.973 330 H CA -0.879 55.169 56.048 -0.001 0.000 1.321 330 H CB 0.657 30.422 29.762 0.005 0.000 1.535 330 H HN 0.420 nan 8.280 nan 0.000 0.518 331 I N 5.999 126.610 120.570 0.068 0.000 2.307 331 I HA 0.255 4.426 4.170 0.002 0.000 0.289 331 I C 0.604 176.641 176.117 -0.134 0.000 1.021 331 I CA -0.245 61.020 61.300 -0.058 0.000 1.224 331 I CB 0.767 38.756 38.000 -0.019 0.000 1.376 331 I HN 0.586 nan 8.210 nan 0.000 0.470 332 R N 6.055 126.403 120.500 -0.253 0.000 2.541 332 R HA 0.433 4.774 4.340 0.002 0.000 0.263 332 R C -2.301 173.935 176.300 -0.107 0.000 1.112 332 R CA -1.670 54.280 56.100 -0.250 0.000 1.170 332 R CB 0.047 30.151 30.300 -0.327 0.000 1.167 332 R HN 0.263 nan 8.270 nan 0.000 0.582 333 P HA -0.141 nan 4.420 nan 0.000 0.263 333 P C -0.848 176.431 177.300 -0.034 0.000 1.168 333 P CA 0.865 63.944 63.100 -0.035 0.000 0.759 333 P CB 0.120 31.805 31.700 -0.025 0.000 0.782 334 N N -1.198 117.489 118.700 -0.022 0.000 2.754 334 N HA -0.137 4.604 4.740 0.002 0.000 0.248 334 N C -0.720 174.775 175.510 -0.025 0.000 1.093 334 N CA 0.311 53.349 53.050 -0.019 0.000 0.699 334 N CB -1.352 37.125 38.487 -0.016 0.000 1.016 334 N HN 0.289 nan 8.380 nan 0.000 0.552 335 S N -0.111 115.570 115.700 -0.030 0.000 2.638 335 S HA 0.752 5.223 4.470 0.002 0.000 0.298 335 S C 0.071 174.655 174.600 -0.026 0.000 1.111 335 S CA -0.700 57.478 58.200 -0.037 0.000 1.027 335 S CB 1.906 65.074 63.200 -0.053 0.000 1.064 335 S HN 0.333 nan 8.310 nan 0.000 0.525 336 S N 1.408 117.094 115.700 -0.025 0.000 2.614 336 S HA 0.638 5.109 4.470 0.002 0.000 0.288 336 S C -1.146 173.443 174.600 -0.018 0.000 1.137 336 S CA -0.901 57.289 58.200 -0.016 0.000 0.992 336 S CB 0.372 63.567 63.200 -0.009 0.000 1.026 336 S HN 0.523 nan 8.310 nan 0.000 0.486 337 L N 3.016 124.230 121.223 -0.016 0.000 2.298 337 L HA 0.666 5.007 4.340 0.002 0.000 0.284 337 L C 0.997 177.864 176.870 -0.004 0.000 1.013 337 L CA -0.836 53.995 54.840 -0.015 0.000 0.824 337 L CB 1.353 43.397 42.059 -0.025 0.000 1.221 337 L HN 0.971 nan 8.230 nan 0.000 0.418 338 G N 1.877 110.680 108.800 0.004 0.000 2.634 338 G HA2 0.432 4.393 3.960 0.002 0.000 0.255 338 G HA3 0.432 4.393 3.960 0.002 0.000 0.255 338 G C 0.262 175.168 174.900 0.010 0.000 1.205 338 G CA -0.251 44.854 45.100 0.008 0.000 0.884 338 G HN 0.799 nan 8.290 nan 0.000 0.549 339 A N -0.257 122.569 122.820 0.010 0.000 2.584 339 A HA 0.294 4.615 4.320 0.002 0.000 0.239 339 A C 1.097 178.691 177.584 0.016 0.000 1.043 339 A CA 1.186 53.229 52.037 0.010 0.000 0.756 339 A CB -0.343 18.662 19.000 0.009 0.000 0.963 339 A HN 1.079 nan 8.150 nan 0.000 0.511 340 Q N -0.773 119.037 119.800 0.017 0.000 2.439 340 Q HA -0.179 4.162 4.340 0.002 0.000 0.247 340 Q C 0.019 176.045 176.000 0.043 0.000 0.899 340 Q CA 0.742 56.560 55.803 0.026 0.000 1.201 340 Q CB -2.128 26.622 28.738 0.020 0.000 1.608 340 Q HN 0.599 nan 8.270 nan 0.000 0.563 341 V N 0.568 120.505 119.914 0.040 0.000 2.963 341 V HA 0.130 4.251 4.120 0.002 0.000 0.306 341 V C 0.164 176.306 176.094 0.079 0.000 1.077 341 V CA 0.481 62.812 62.300 0.051 0.000 1.124 341 V CB 1.042 32.877 31.823 0.020 0.000 0.987 341 V HN 0.281 nan 8.190 nan 0.000 0.487 342 H N 4.151 123.211 119.070 -0.016 0.000 2.658 342 H HA 0.557 5.114 4.556 0.001 0.000 0.337 342 H C -1.156 174.140 175.328 -0.055 0.000 1.009 342 H CA -0.792 55.233 56.048 -0.038 0.000 1.231 342 H CB 0.973 30.712 29.762 -0.040 0.000 1.508 342 H HN 0.379 nan 8.280 nan 0.000 0.517 343 I N 5.438 125.615 120.570 -0.655 0.000 2.382 343 I HA 0.341 4.512 4.170 0.002 0.000 0.285 343 I C 1.167 176.846 176.117 -0.729 0.000 1.007 343 I CA -0.181 60.805 61.300 -0.523 0.000 1.142 343 I CB 0.880 38.716 38.000 -0.274 0.000 1.289 343 I HN 0.824 nan 8.210 nan 0.000 0.453 344 G N 6.424 114.846 108.800 -0.629 0.000 2.582 344 G HA2 0.185 4.146 3.960 0.002 0.000 0.232 344 G HA3 0.185 4.146 3.960 0.002 0.000 0.232 344 G C 0.098 174.820 174.900 -0.296 0.000 1.458 344 G CA -0.746 44.105 45.100 -0.414 0.000 1.062 344 G HN 0.742 nan 8.290 nan 0.000 0.566 345 N N -1.206 117.302 118.700 -0.320 0.000 2.518 345 N HA 0.166 4.907 4.740 0.002 0.000 0.266 345 N C -0.829 174.389 175.510 -0.487 0.000 1.196 345 N CA -0.270 52.439 53.050 -0.567 0.000 0.947 345 N CB 0.645 38.559 38.487 -0.954 0.000 1.098 345 N HN 0.350 nan 8.380 nan 0.000 0.450 346 F N -1.915 118.111 119.950 0.127 0.000 3.080 346 F HA -0.183 4.345 4.527 0.002 0.000 0.292 346 F C -0.758 175.080 175.800 0.063 0.000 0.891 346 F CA -0.277 57.778 58.000 0.092 0.000 1.086 346 F CB -2.335 36.711 39.000 0.077 0.000 1.095 346 F HN 0.239 nan 8.300 nan 0.000 0.633 347 V N 0.126 120.108 119.914 0.114 0.000 2.513 347 V HA 0.525 4.646 4.120 0.002 0.000 0.299 347 V C 0.187 176.322 176.094 0.069 0.000 1.035 347 V CA -1.020 61.315 62.300 0.058 0.000 0.889 347 V CB 2.264 34.055 31.823 -0.054 0.000 0.988 347 V HN 0.288 nan 8.190 nan 0.000 0.440 348 E N 3.449 123.705 120.200 0.093 0.000 2.191 348 E HA 0.613 4.964 4.350 0.002 0.000 0.263 348 E C -1.884 174.754 176.600 0.063 0.000 0.881 348 E CA -0.462 56.002 56.400 0.107 0.000 0.757 348 E CB 2.081 31.878 29.700 0.162 0.000 1.147 348 E HN 0.465 nan 8.360 nan 0.000 0.414 349 V N 5.457 125.348 119.914 -0.038 0.000 2.409 349 V HA 0.375 4.496 4.120 0.002 0.000 0.291 349 V C -0.372 175.668 176.094 -0.090 0.000 1.020 349 V CA -0.679 61.560 62.300 -0.100 0.000 0.848 349 V CB 1.523 33.272 31.823 -0.123 0.000 0.990 349 V HN 0.586 nan 8.190 nan 0.000 0.430 350 K N 3.592 123.948 120.400 -0.074 0.000 2.545 350 K HA 0.565 4.886 4.320 0.002 0.000 0.252 350 K C 0.655 177.218 176.600 -0.061 0.000 0.948 350 K CA 0.115 56.370 56.287 -0.052 0.000 0.827 350 K CB 1.497 34.023 32.500 0.044 0.000 1.128 350 K HN 0.986 nan 8.250 nan 0.000 0.429 351 G N 2.431 111.198 108.800 -0.055 0.000 2.305 351 G HA2 -0.241 3.720 3.960 0.002 0.000 0.287 351 G HA3 -0.241 3.720 3.960 0.002 0.000 0.287 351 G C -0.610 174.263 174.900 -0.046 0.000 1.036 351 G CA 0.739 45.814 45.100 -0.042 0.000 0.887 351 G HN 0.526 nan 8.290 nan 0.000 0.505 352 S N -0.778 114.887 115.700 -0.058 0.000 2.542 352 S HA 0.809 5.280 4.470 0.002 0.000 0.293 352 S C 0.101 174.678 174.600 -0.039 0.000 1.089 352 S CA -0.047 58.120 58.200 -0.055 0.000 0.961 352 S CB 2.080 65.226 63.200 -0.092 0.000 1.062 352 S HN 1.135 nan 8.310 nan 0.000 0.483 353 S N 1.571 117.259 115.700 -0.020 0.000 2.525 353 S HA 0.754 5.225 4.470 0.002 0.000 0.290 353 S C -0.598 174.003 174.600 0.002 0.000 1.152 353 S CA -0.744 57.450 58.200 -0.009 0.000 1.072 353 S CB 0.355 63.555 63.200 0.000 0.000 1.027 353 S HN 0.608 nan 8.310 nan 0.000 0.500 354 I N 2.124 122.696 120.570 0.004 0.000 2.478 354 I HA 0.422 4.593 4.170 0.002 0.000 0.287 354 I C 0.878 177.013 176.117 0.029 0.000 1.042 354 I CA -0.793 60.522 61.300 0.025 0.000 1.067 354 I CB 1.763 39.767 38.000 0.007 0.000 1.233 354 I HN 0.907 nan 8.210 nan 0.000 0.431 355 G N 4.580 113.405 108.800 0.042 0.000 2.667 355 G HA2 0.178 4.139 3.960 0.002 0.000 0.250 355 G HA3 0.178 4.139 3.960 0.002 0.000 0.250 355 G C 0.009 174.930 174.900 0.035 0.000 1.212 355 G CA -0.415 44.705 45.100 0.033 0.000 0.874 355 G HN 0.784 nan 8.290 nan 0.000 0.561 356 E N -0.159 120.058 120.200 0.027 0.000 2.398 356 E HA 0.027 4.378 4.350 0.002 0.000 0.263 356 E C 0.077 176.698 176.600 0.034 0.000 1.046 356 E CA -0.086 56.330 56.400 0.027 0.000 0.908 356 E CB 0.365 30.077 29.700 0.020 0.000 0.963 356 E HN 0.505 nan 8.360 nan 0.000 0.431 357 N N 0.176 118.898 118.700 0.038 0.000 2.900 357 N HA -0.153 4.588 4.740 0.002 0.000 0.240 357 N C -0.675 174.872 175.510 0.061 0.000 0.953 357 N CA 1.458 54.535 53.050 0.044 0.000 0.950 357 N CB -1.795 36.712 38.487 0.034 0.000 1.102 357 N HN 0.618 nan 8.380 nan 0.000 0.593 358 T N 1.819 116.416 114.554 0.071 0.000 2.900 358 T HA 0.285 4.636 4.350 0.002 0.000 0.307 358 T C 0.685 175.461 174.700 0.125 0.000 1.065 358 T CA 0.245 62.406 62.100 0.102 0.000 1.105 358 T CB 1.171 70.121 68.868 0.137 0.000 0.979 358 T HN 0.050 nan 8.240 nan 0.000 0.544 359 K N 1.201 121.697 120.400 0.159 0.000 2.426 359 K HA 0.654 4.975 4.320 0.002 0.000 0.254 359 K C -1.069 175.659 176.600 0.212 0.000 0.936 359 K CA -0.815 55.574 56.287 0.171 0.000 0.801 359 K CB 2.182 34.772 32.500 0.150 0.000 1.139 359 K HN 0.552 nan 8.250 nan 0.000 0.424 360 A N 1.872 124.750 122.820 0.097 0.000 2.815 360 A HA 0.433 4.754 4.320 0.002 0.000 0.318 360 A C 0.676 178.203 177.584 -0.095 0.000 1.186 360 A CA -0.623 51.431 52.037 0.029 0.000 0.754 360 A CB 0.472 19.363 19.000 -0.182 0.000 1.151 360 A HN 0.904 nan 8.150 nan 0.000 0.452 361 G N 0.620 109.350 108.800 -0.117 0.000 2.623 361 G HA2 0.307 4.268 3.960 0.002 0.000 0.214 361 G HA3 0.307 4.268 3.960 0.002 0.000 0.214 361 G C 0.517 174.983 174.900 -0.724 0.000 1.138 361 G CA 0.493 45.316 45.100 -0.462 0.000 0.794 361 G HN 0.866 nan 8.290 nan 0.000 0.535 362 H N -1.889 117.218 119.070 0.061 0.000 3.123 362 H HA 0.223 4.780 4.556 0.002 0.000 0.346 362 H C -0.389 175.015 175.328 0.126 0.000 1.138 362 H CA -1.338 54.765 56.048 0.092 0.000 1.273 362 H CB 0.609 30.444 29.762 0.121 0.000 1.926 362 H HN -0.078 nan 8.280 nan 0.000 0.524 363 L N 1.354 122.775 121.223 0.331 0.000 3.965 363 L HA -0.212 4.129 4.340 0.002 0.000 0.499 363 L C -0.564 176.413 176.870 0.178 0.000 1.194 363 L CA 0.883 55.883 54.840 0.267 0.000 0.707 363 L CB -1.634 40.564 42.059 0.232 0.000 1.414 363 L HN 0.746 nan 8.230 nan 0.000 0.802 364 T N -0.896 113.743 114.554 0.141 0.000 2.900 364 T HA 0.568 4.919 4.350 0.002 0.000 0.295 364 T C -1.162 173.604 174.700 0.110 0.000 1.044 364 T CA -0.593 61.561 62.100 0.091 0.000 0.995 364 T CB 2.179 71.050 68.868 0.005 0.000 1.072 364 T HN 0.124 nan 8.240 nan 0.000 0.473 365 Y N 2.911 123.180 120.300 -0.051 0.000 2.326 365 Y HA 0.680 5.231 4.550 0.002 0.000 0.331 365 Y C -1.497 174.339 175.900 -0.108 0.000 0.962 365 Y CA -1.759 56.301 58.100 -0.067 0.000 1.167 365 Y CB 0.527 38.971 38.460 -0.026 0.000 1.148 365 Y HN 0.551 nan 8.280 nan 0.000 0.463 366 I N 6.570 126.795 120.570 -0.576 0.000 2.420 366 I HA 0.559 4.730 4.170 0.002 0.000 0.282 366 I C 0.180 175.892 176.117 -0.674 0.000 1.019 366 I CA -0.628 60.299 61.300 -0.622 0.000 1.130 366 I CB 1.502 39.197 38.000 -0.507 0.000 1.262 366 I HN 0.843 nan 8.210 nan 0.000 0.454 367 G N 2.895 111.230 108.800 -0.775 0.000 2.495 367 G HA2 0.375 4.336 3.960 0.002 0.000 0.318 367 G HA3 0.375 4.336 3.960 0.002 0.000 0.318 367 G C -0.148 174.636 174.900 -0.192 0.000 1.257 367 G CA -0.620 44.219 45.100 -0.434 0.000 0.962 367 G HN 0.669 nan 8.290 nan 0.000 0.483 368 N N -1.408 117.235 118.700 -0.095 0.000 2.716 368 N HA -0.200 4.541 4.740 0.002 0.000 0.250 368 N C -0.213 175.280 175.510 -0.028 0.000 1.033 368 N CA 1.028 54.055 53.050 -0.039 0.000 0.727 368 N CB -1.306 37.179 38.487 -0.003 0.000 0.950 368 N HN 0.563 nan 8.380 nan 0.000 0.541 369 C N -0.198 119.075 119.300 -0.046 0.000 2.562 369 C HA 0.520 4.981 4.460 0.002 0.000 0.332 369 C C 0.561 175.552 174.990 0.002 0.000 1.201 369 C CA -0.905 58.106 59.018 -0.012 0.000 1.803 369 C CB 1.800 29.537 27.740 -0.006 0.000 2.328 369 C HN 0.320 nan 8.230 nan 0.000 0.500 370 E N 0.830 121.043 120.200 0.022 0.000 2.145 370 E HA 0.586 4.937 4.350 0.002 0.000 0.270 370 E C -1.248 175.378 176.600 0.044 0.000 0.906 370 E CA -0.193 56.222 56.400 0.024 0.000 0.761 370 E CB 1.604 31.316 29.700 0.021 0.000 1.116 370 E HN 0.421 nan 8.360 nan 0.000 0.408 371 V N 2.401 122.348 119.914 0.056 0.000 2.680 371 V HA 0.543 4.664 4.120 0.002 0.000 0.309 371 V C 0.734 176.864 176.094 0.060 0.000 1.052 371 V CA -0.743 61.611 62.300 0.089 0.000 0.908 371 V CB 1.902 33.832 31.823 0.179 0.000 1.001 371 V HN 0.794 nan 8.190 nan 0.000 0.431 372 G N 2.265 111.091 108.800 0.043 0.000 2.508 372 G HA2 0.489 4.450 3.960 0.002 0.000 0.278 372 G HA3 0.489 4.450 3.960 0.002 0.000 0.278 372 G C 0.141 175.061 174.900 0.034 0.000 1.389 372 G CA 0.060 45.177 45.100 0.029 0.000 1.050 372 G HN 0.915 nan 8.290 nan 0.000 0.522 373 S N -2.057 113.657 115.700 0.024 0.000 2.616 373 S HA 0.343 4.814 4.470 0.002 0.000 0.277 373 S C 0.264 174.878 174.600 0.024 0.000 1.234 373 S CA -0.071 58.146 58.200 0.028 0.000 1.028 373 S CB 1.208 64.421 63.200 0.022 0.000 0.988 373 S HN 0.702 nan 8.310 nan 0.000 0.522 374 N N -1.225 117.494 118.700 0.031 0.000 2.741 374 N HA -0.136 4.605 4.740 0.002 0.000 0.251 374 N C -0.542 174.981 175.510 0.022 0.000 1.112 374 N CA 0.828 53.897 53.050 0.032 0.000 0.750 374 N CB -1.666 36.837 38.487 0.028 0.000 1.119 374 N HN 0.479 nan 8.380 nan 0.000 0.561 375 V N 0.286 120.201 119.914 0.002 0.000 2.881 375 V HA 0.257 4.378 4.120 0.002 0.000 0.303 375 V C 0.657 176.689 176.094 -0.102 0.000 1.070 375 V CA -0.216 62.030 62.300 -0.090 0.000 1.074 375 V CB 1.602 33.336 31.823 -0.149 0.000 1.012 375 V HN 0.331 nan 8.190 nan 0.000 0.482 376 N N 1.825 120.375 118.700 -0.251 0.000 2.448 376 N HA 0.488 5.229 4.740 0.002 0.000 0.279 376 N C -1.479 173.738 175.510 -0.489 0.000 1.025 376 N CA -0.444 52.458 53.050 -0.246 0.000 0.898 376 N CB 0.893 39.257 38.487 -0.204 0.000 1.303 376 N HN 0.430 nan 8.380 nan 0.000 0.495 377 F N 1.838 121.676 119.950 -0.187 0.000 2.361 377 F HA 0.447 4.975 4.527 0.001 0.000 0.364 377 F C 1.407 177.128 175.800 -0.131 0.000 1.120 377 F CA -0.578 57.322 58.000 -0.166 0.000 1.102 377 F CB 1.362 40.315 39.000 -0.078 0.000 1.183 377 F HN 0.412 nan 8.300 nan 0.000 0.476 378 G N 1.854 110.610 108.800 -0.074 0.000 2.544 378 G HA2 0.417 4.378 3.960 0.002 0.000 0.242 378 G HA3 0.417 4.378 3.960 0.002 0.000 0.242 378 G C -0.198 174.785 174.900 0.138 0.000 1.247 378 G CA -0.583 44.520 45.100 0.003 0.000 0.840 378 G HN 0.927 nan 8.290 nan 0.000 0.578 379 A N -0.104 122.810 122.820 0.157 0.000 2.587 379 A HA 0.487 4.808 4.320 0.002 0.000 0.235 379 A C 1.719 179.364 177.584 0.102 0.000 1.044 379 A CA 1.363 53.486 52.037 0.142 0.000 0.754 379 A CB -0.390 18.509 19.000 -0.168 0.000 0.968 379 A HN 2.659 nan 8.150 nan 0.000 0.509 380 G N 1.841 110.718 108.800 0.129 0.000 2.159 380 G HA2 -0.206 3.755 3.960 0.002 0.000 0.256 380 G HA3 -0.206 3.755 3.960 0.002 0.000 0.256 380 G C 0.408 175.370 174.900 0.103 0.000 0.977 380 G CA 0.523 45.683 45.100 0.101 0.000 0.652 380 G HN 1.261 nan 8.290 nan 0.000 0.531 381 T N 1.957 116.585 114.554 0.124 0.000 2.870 381 T HA 0.538 4.889 4.350 0.002 0.000 0.300 381 T C 0.401 175.174 174.700 0.121 0.000 0.989 381 T CA 0.266 62.447 62.100 0.134 0.000 1.139 381 T CB 1.261 70.260 68.868 0.218 0.000 0.920 381 T HN 0.241 nan 8.240 nan 0.000 0.537 382 I N 3.701 124.341 120.570 0.117 0.000 2.465 382 I HA 0.301 4.472 4.170 0.002 0.000 0.291 382 I C 0.783 176.956 176.117 0.094 0.000 1.014 382 I CA -0.809 60.570 61.300 0.132 0.000 1.093 382 I CB 1.716 39.806 38.000 0.150 0.000 1.267 382 I HN 0.680 nan 8.210 nan 0.000 0.431 383 T N 3.214 117.779 114.554 0.017 0.000 2.875 383 T HA 0.734 5.085 4.350 0.002 0.000 0.284 383 T C -0.320 174.418 174.700 0.062 0.000 0.995 383 T CA -0.656 61.435 62.100 -0.015 0.000 1.060 383 T CB 1.892 70.674 68.868 -0.143 0.000 0.967 383 T HN 0.234 nan 8.240 nan 0.000 0.476 384 V N 3.829 123.801 119.914 0.097 0.000 2.407 384 V HA 0.454 4.575 4.120 0.002 0.000 0.291 384 V C -0.385 175.808 176.094 0.165 0.000 1.018 384 V CA -0.994 61.401 62.300 0.158 0.000 0.842 384 V CB 0.961 32.868 31.823 0.141 0.000 0.996 384 V HN 1.094 nan 8.190 nan 0.000 0.426 385 N N 2.642 121.466 118.700 0.205 0.000 2.387 385 N HA 0.238 4.979 4.740 0.002 0.000 0.259 385 N C -0.896 174.759 175.510 0.241 0.000 1.369 385 N CA -0.402 52.784 53.050 0.225 0.000 0.867 385 N CB 0.524 39.102 38.487 0.152 0.000 1.341 385 N HN 0.577 nan 8.380 nan 0.000 0.495 386 Y N 1.210 121.566 120.300 0.093 0.000 2.373 386 Y HA 0.338 4.889 4.550 0.002 0.000 0.336 386 Y C -0.484 175.455 175.900 0.064 0.000 0.979 386 Y CA -1.323 56.793 58.100 0.027 0.000 1.080 386 Y CB 1.703 40.182 38.460 0.032 0.000 1.190 386 Y HN 0.123 nan 8.280 nan 0.000 0.446 387 D N 1.324 121.465 120.400 -0.431 0.000 2.422 387 D HA 0.350 4.991 4.640 0.002 0.000 0.218 387 D C 1.419 177.437 176.300 -0.470 0.000 1.047 387 D CA 0.889 54.726 54.000 -0.271 0.000 0.885 387 D CB 0.902 41.672 40.800 -0.050 0.000 1.035 387 D HN 0.794 nan 8.370 nan 0.000 0.502 388 G N -0.023 108.177 108.800 -0.999 0.000 3.382 388 G HA2 -0.168 3.793 3.960 0.002 0.000 0.214 388 G HA3 -0.168 3.793 3.960 0.002 0.000 0.214 388 G C 0.979 175.597 174.900 -0.470 0.000 1.025 388 G CA 0.103 44.795 45.100 -0.681 0.000 0.869 388 G HN 0.290 nan 8.290 nan 0.000 0.458 389 K N -0.421 119.743 120.400 -0.394 0.000 2.550 389 K HA 0.278 4.599 4.320 0.002 0.000 0.205 389 K C 0.343 176.855 176.600 -0.146 0.000 1.429 389 K CA -0.089 56.102 56.287 -0.159 0.000 0.997 389 K CB 0.981 33.424 32.500 -0.095 0.000 1.328 389 K HN 0.209 nan 8.250 nan 0.000 0.546 390 N N 1.078 119.616 118.700 -0.271 0.000 2.292 390 N HA 0.256 4.997 4.740 0.002 0.000 0.303 390 N C -1.402 173.813 175.510 -0.492 0.000 1.140 390 N CA -0.514 52.347 53.050 -0.315 0.000 0.788 390 N CB 1.544 39.836 38.487 -0.324 0.000 1.361 390 N HN -0.087 nan 8.380 nan 0.000 0.489 391 K N 1.235 121.372 120.400 -0.438 0.000 2.185 391 K HA 0.451 4.772 4.320 0.002 0.000 0.240 391 K C -1.484 174.717 176.600 -0.665 0.000 0.983 391 K CA -0.521 55.543 56.287 -0.371 0.000 0.873 391 K CB 1.275 33.738 32.500 -0.062 0.000 1.118 391 K HN 0.386 nan 8.250 nan 0.000 0.441 392 Y N -0.089 120.246 120.300 0.059 0.000 2.615 392 Y HA 0.366 4.917 4.550 0.001 0.000 0.341 392 Y C -0.208 175.709 175.900 0.028 0.000 1.089 392 Y CA -1.066 57.055 58.100 0.034 0.000 1.049 392 Y CB 1.503 39.978 38.460 0.025 0.000 1.296 392 Y HN 0.214 nan 8.280 nan 0.000 0.470 393 K N 0.417 120.933 120.400 0.194 0.000 2.166 393 K HA 0.779 5.100 4.320 0.002 0.000 0.245 393 K C -1.074 175.576 176.600 0.083 0.000 0.967 393 K CA -0.849 55.499 56.287 0.102 0.000 0.863 393 K CB 1.899 34.441 32.500 0.070 0.000 1.107 393 K HN 0.622 nan 8.250 nan 0.000 0.436 394 T N 0.849 115.435 114.554 0.053 0.000 2.886 394 T HA 0.319 4.670 4.350 0.002 0.000 0.292 394 T C -0.992 173.729 174.700 0.035 0.000 1.012 394 T CA -0.622 61.503 62.100 0.042 0.000 0.982 394 T CB 1.674 70.567 68.868 0.042 0.000 1.018 394 T HN 0.152 nan 8.240 nan 0.000 0.451 395 V N 4.527 124.459 119.914 0.029 0.000 2.417 395 V HA 0.545 4.666 4.120 0.002 0.000 0.291 395 V C -0.433 175.674 176.094 0.022 0.000 1.024 395 V CA -0.698 61.617 62.300 0.025 0.000 0.861 395 V CB 1.343 33.177 31.823 0.019 0.000 0.985 395 V HN 0.768 nan 8.190 nan 0.000 0.436 396 I N 4.339 124.924 120.570 0.026 0.000 2.411 396 I HA 0.482 4.653 4.170 0.002 0.000 0.284 396 I C 1.025 177.141 176.117 -0.001 0.000 1.012 396 I CA -0.308 60.996 61.300 0.006 0.000 1.119 396 I CB 1.697 39.703 38.000 0.010 0.000 1.261 396 I HN 0.716 nan 8.210 nan 0.000 0.448 397 G N 4.632 113.426 108.800 -0.009 0.000 2.631 397 G HA2 0.101 4.062 3.960 0.002 0.000 0.271 397 G HA3 0.101 4.062 3.960 0.002 0.000 0.271 397 G C -0.292 174.601 174.900 -0.011 0.000 1.302 397 G CA -0.464 44.632 45.100 -0.006 0.000 1.002 397 G HN 0.563 nan 8.290 nan 0.000 0.519 398 D N -0.306 120.093 120.400 -0.003 0.000 2.382 398 D HA 0.107 4.748 4.640 0.002 0.000 0.245 398 D C 0.526 176.825 176.300 -0.002 0.000 1.120 398 D CA 0.216 54.215 54.000 -0.000 0.000 0.890 398 D CB 0.664 41.467 40.800 0.006 0.000 1.201 398 D HN 0.432 nan 8.370 nan 0.000 0.433 399 N N -1.053 117.647 118.700 0.001 0.000 2.800 399 N HA -0.168 4.573 4.740 0.002 0.000 0.250 399 N C -0.537 174.984 175.510 0.018 0.000 1.078 399 N CA 0.441 53.499 53.050 0.013 0.000 0.804 399 N CB -1.091 37.406 38.487 0.017 0.000 1.135 399 N HN 0.191 nan 8.380 nan 0.000 0.565 400 V N 0.411 120.313 119.914 -0.020 0.000 2.775 400 V HA 0.305 4.426 4.120 0.002 0.000 0.299 400 V C 0.329 176.412 176.094 -0.019 0.000 1.062 400 V CA -0.038 62.247 62.300 -0.026 0.000 1.063 400 V CB 0.760 32.529 31.823 -0.089 0.000 0.994 400 V HN 0.204 nan 8.190 nan 0.000 0.483 401 F N 3.714 123.589 119.950 -0.125 0.000 2.427 401 F HA 0.606 5.134 4.527 0.001 0.000 0.348 401 F C -0.271 175.451 175.800 -0.130 0.000 1.125 401 F CA -0.562 57.366 58.000 -0.120 0.000 0.989 401 F CB 1.523 40.486 39.000 -0.063 0.000 1.165 401 F HN 0.209 nan 8.300 nan 0.000 0.442 402 V N 6.476 126.074 119.914 -0.527 0.000 2.275 402 V HA 0.399 4.520 4.120 0.002 0.000 0.272 402 V C 0.801 176.710 176.094 -0.309 0.000 1.028 402 V CA -0.804 61.304 62.300 -0.320 0.000 0.810 402 V CB 0.583 32.186 31.823 -0.367 0.000 1.043 402 V HN 0.961 nan 8.190 nan 0.000 0.453 403 G N 3.544 112.305 108.800 -0.065 0.000 2.464 403 G HA2 0.139 4.100 3.960 0.002 0.000 0.231 403 G HA3 0.139 4.100 3.960 0.002 0.000 0.231 403 G C 0.412 175.324 174.900 0.019 0.000 1.267 403 G CA -0.132 44.999 45.100 0.051 0.000 0.863 403 G HN 0.680 nan 8.290 nan 0.000 0.559 404 S N 1.291 117.017 115.700 0.044 0.000 2.558 404 S HA 0.030 4.501 4.470 0.002 0.000 0.288 404 S C 1.184 175.815 174.600 0.052 0.000 1.318 404 S CA 0.142 58.370 58.200 0.046 0.000 1.056 404 S CB 0.419 63.645 63.200 0.043 0.000 0.853 404 S HN 0.845 nan 8.310 nan 0.000 0.505 405 N N 0.491 119.225 118.700 0.056 0.000 2.782 405 N HA -0.162 4.579 4.740 0.002 0.000 0.251 405 N C -0.556 174.988 175.510 0.056 0.000 1.101 405 N CA 0.822 53.905 53.050 0.055 0.000 0.764 405 N CB -1.377 37.135 38.487 0.043 0.000 1.122 405 N HN 0.549 nan 8.380 nan 0.000 0.561 406 S N -0.632 115.104 115.700 0.061 0.000 2.632 406 S HA 0.557 5.028 4.470 0.002 0.000 0.267 406 S C 0.384 175.025 174.600 0.067 0.000 1.276 406 S CA -0.083 58.151 58.200 0.058 0.000 0.998 406 S CB 1.602 64.833 63.200 0.051 0.000 0.953 406 S HN 0.219 nan 8.310 nan 0.000 0.547 407 T N 2.443 117.033 114.554 0.060 0.000 2.890 407 T HA 0.409 4.760 4.350 0.002 0.000 0.295 407 T C -0.830 173.905 174.700 0.059 0.000 0.993 407 T CA -0.492 61.648 62.100 0.066 0.000 0.979 407 T CB 0.419 69.323 68.868 0.060 0.000 0.967 407 T HN 0.288 nan 8.240 nan 0.000 0.441 408 I N 4.445 125.055 120.570 0.065 0.000 2.330 408 I HA 0.390 4.561 4.170 0.002 0.000 0.286 408 I C 0.033 176.184 176.117 0.057 0.000 1.025 408 I CA -1.147 60.186 61.300 0.055 0.000 1.197 408 I CB 0.484 38.522 38.000 0.063 0.000 1.358 408 I HN 0.642 nan 8.210 nan 0.000 0.467 409 I N 5.511 126.109 120.570 0.047 0.000 2.297 409 I HA 0.401 4.572 4.170 0.002 0.000 0.291 409 I C 0.899 177.037 176.117 0.036 0.000 1.033 409 I CA -0.359 60.972 61.300 0.051 0.000 1.253 409 I CB 1.220 39.244 38.000 0.040 0.000 1.396 409 I HN 0.616 nan 8.210 nan 0.000 0.476 410 A N 9.493 132.353 122.820 0.067 0.000 2.332 410 A HA 0.567 4.888 4.320 0.002 0.000 0.258 410 A C -2.260 175.297 177.584 -0.045 0.000 1.087 410 A CA -1.143 50.929 52.037 0.058 0.000 0.802 410 A CB -0.195 18.891 19.000 0.145 0.000 1.042 410 A HN 0.497 nan 8.150 nan 0.000 0.489 411 P HA 0.440 nan 4.420 nan 0.000 0.279 411 P C -0.747 176.518 177.300 -0.058 0.000 1.239 411 P CA 0.026 63.080 63.100 -0.077 0.000 0.789 411 P CB 1.410 33.023 31.700 -0.145 0.000 0.933 412 V N 1.363 121.269 119.914 -0.014 0.000 3.236 412 V HA 0.426 4.547 4.120 0.002 0.000 0.287 412 V C -1.847 174.248 176.094 0.002 0.000 1.491 412 V CA -0.616 61.678 62.300 -0.011 0.000 1.037 412 V CB 2.270 34.090 31.823 -0.005 0.000 1.160 412 V HN 0.743 nan 8.190 nan 0.000 0.453 413 E N 2.722 122.922 120.200 -0.000 0.000 2.314 413 E HA 0.643 4.994 4.350 0.002 0.000 0.272 413 E C -2.224 174.376 176.600 0.000 0.000 0.884 413 E CA -0.771 55.631 56.400 0.003 0.000 0.753 413 E CB 2.080 31.782 29.700 0.002 0.000 1.213 413 E HN 0.547 nan 8.360 nan 0.000 0.432 414 L N 2.761 123.983 121.223 -0.001 0.000 2.325 414 L HA 0.495 4.836 4.340 0.002 0.000 0.281 414 L C 0.534 177.399 176.870 -0.008 0.000 1.004 414 L CA -0.241 54.594 54.840 -0.008 0.000 0.823 414 L CB 1.636 43.683 42.059 -0.020 0.000 1.236 414 L HN 0.629 nan 8.230 nan 0.000 0.415 415 G N 1.149 109.946 108.800 -0.005 0.000 2.539 415 G HA2 0.301 4.262 3.960 0.002 0.000 0.258 415 G HA3 0.301 4.262 3.960 0.002 0.000 0.258 415 G C -0.526 174.371 174.900 -0.005 0.000 1.202 415 G CA -0.599 44.498 45.100 -0.004 0.000 0.851 415 G HN 0.579 nan 8.290 nan 0.000 0.556 416 D N -0.095 120.303 120.400 -0.003 0.000 2.571 416 D HA -0.049 4.592 4.640 0.002 0.000 0.231 416 D C 1.011 177.310 176.300 -0.000 0.000 1.133 416 D CA 0.899 54.898 54.000 -0.002 0.000 0.862 416 D CB 0.211 41.011 40.800 0.000 0.000 1.179 416 D HN 0.494 nan 8.370 nan 0.000 0.474 417 N N -1.098 117.604 118.700 0.002 0.000 2.765 417 N HA -0.237 4.504 4.740 0.002 0.000 0.248 417 N C -0.209 175.307 175.510 0.010 0.000 1.063 417 N CA 1.269 54.323 53.050 0.007 0.000 0.862 417 N CB -1.023 37.465 38.487 0.003 0.000 1.145 417 N HN 0.498 nan 8.380 nan 0.000 0.581 418 S N -0.238 115.467 115.700 0.008 0.000 2.626 418 S HA 0.560 5.031 4.470 0.002 0.000 0.257 418 S C 0.135 174.755 174.600 0.033 0.000 1.288 418 S CA -0.611 57.596 58.200 0.012 0.000 0.980 418 S CB 1.762 64.965 63.200 0.004 0.000 0.975 418 S HN 0.383 nan 8.310 nan 0.000 0.577 419 L N 0.190 121.437 121.223 0.040 0.000 2.472 419 L HA 0.730 5.071 4.340 0.002 0.000 0.260 419 L C -1.826 175.089 176.870 0.074 0.000 0.963 419 L CA -0.833 54.058 54.840 0.085 0.000 0.829 419 L CB 1.985 44.084 42.059 0.066 0.000 1.348 419 L HN 0.640 nan 8.230 nan 0.000 0.408 420 V N 2.975 122.952 119.914 0.106 0.000 2.495 420 V HA 0.636 4.757 4.120 0.002 0.000 0.298 420 V C 0.630 176.791 176.094 0.111 0.000 1.031 420 V CA -0.310 62.034 62.300 0.074 0.000 0.871 420 V CB 1.631 33.476 31.823 0.037 0.000 0.988 420 V HN 0.880 nan 8.190 nan 0.000 0.432 421 G N 2.731 111.578 108.800 0.078 0.000 2.467 421 G HA2 0.542 4.503 3.960 0.002 0.000 0.257 421 G HA3 0.542 4.503 3.960 0.002 0.000 0.257 421 G C 0.296 175.243 174.900 0.078 0.000 1.227 421 G CA 0.150 45.299 45.100 0.082 0.000 0.835 421 G HN 1.157 nan 8.290 nan 0.000 0.556 422 A N 0.402 123.275 122.820 0.089 0.000 2.547 422 A HA 0.502 4.823 4.320 0.002 0.000 0.233 422 A C 1.782 179.397 177.584 0.052 0.000 1.067 422 A CA 1.196 53.277 52.037 0.074 0.000 0.763 422 A CB -0.311 18.735 19.000 0.078 0.000 1.007 422 A HN 2.609 nan 8.150 nan 0.000 0.506 423 G N 0.866 109.695 108.800 0.047 0.000 2.175 423 G HA2 -0.230 3.731 3.960 0.002 0.000 0.265 423 G HA3 -0.230 3.731 3.960 0.002 0.000 0.265 423 G C 0.528 175.450 174.900 0.037 0.000 0.979 423 G CA 0.674 45.798 45.100 0.039 0.000 0.663 423 G HN 1.170 nan 8.290 nan 0.000 0.533 424 S N -0.062 115.662 115.700 0.039 0.000 2.601 424 S HA 0.629 5.100 4.470 0.002 0.000 0.271 424 S C 0.335 174.956 174.600 0.035 0.000 1.305 424 S CA 0.243 58.464 58.200 0.035 0.000 1.022 424 S CB 1.503 64.724 63.200 0.035 0.000 0.940 424 S HN 0.366 nan 8.310 nan 0.000 0.525 425 T N 3.309 117.881 114.554 0.030 0.000 2.809 425 T HA 0.399 4.750 4.350 0.002 0.000 0.296 425 T C -0.527 174.188 174.700 0.025 0.000 1.015 425 T CA -0.479 61.640 62.100 0.030 0.000 0.954 425 T CB 0.192 69.077 68.868 0.028 0.000 0.950 425 T HN 0.282 nan 8.240 nan 0.000 0.450 426 I N 4.357 124.943 120.570 0.026 0.000 2.315 426 I HA 0.297 4.468 4.170 0.002 0.000 0.291 426 I C 1.568 177.693 176.117 0.014 0.000 1.006 426 I CA -0.463 60.849 61.300 0.019 0.000 1.265 426 I CB 0.868 38.880 38.000 0.019 0.000 1.387 426 I HN 0.753 nan 8.210 nan 0.000 0.475 427 T N 2.343 116.901 114.554 0.005 0.000 2.975 427 T HA 0.305 4.656 4.350 0.002 0.000 0.261 427 T C 0.559 175.250 174.700 -0.015 0.000 0.984 427 T CA -0.124 61.973 62.100 -0.005 0.000 0.911 427 T CB 0.426 69.290 68.868 -0.006 0.000 1.127 427 T HN 0.463 nan 8.240 nan 0.000 0.514 428 K N 1.560 121.955 120.400 -0.010 0.000 2.375 428 K HA 0.484 4.805 4.320 0.002 0.000 0.249 428 K C -1.269 175.325 176.600 -0.009 0.000 0.942 428 K CA -1.054 55.224 56.287 -0.014 0.000 0.806 428 K CB 1.422 33.914 32.500 -0.012 0.000 1.227 428 K HN -0.002 nan 8.250 nan 0.000 0.430 429 D N 1.256 121.649 120.400 -0.012 0.000 2.515 429 D HA -0.029 4.612 4.640 0.002 0.000 0.232 429 D C -0.444 175.853 176.300 -0.004 0.000 1.157 429 D CA 0.544 54.539 54.000 -0.008 0.000 0.871 429 D CB 0.722 41.516 40.800 -0.009 0.000 1.200 429 D HN 0.028 nan 8.370 nan 0.000 0.466 430 V N 4.775 124.688 119.914 -0.002 0.000 2.350 430 V HA 0.232 4.353 4.120 0.002 0.000 0.285 430 V C -1.886 174.207 176.094 -0.001 0.000 1.014 430 V CA -1.478 60.822 62.300 -0.001 0.000 0.831 430 V CB 1.651 33.475 31.823 0.001 0.000 1.000 430 V HN 0.445 nan 8.190 nan 0.000 0.433 431 P HA 0.156 nan 4.420 nan 0.000 0.270 431 P C -0.144 177.155 177.300 -0.001 0.000 1.223 431 P CA -0.079 63.020 63.100 -0.002 0.000 0.785 431 P CB 0.865 32.564 31.700 -0.002 0.000 0.923 432 A N 1.969 124.788 122.820 -0.001 0.000 2.546 432 A HA 0.010 4.331 4.320 0.002 0.000 0.243 432 A C 1.026 178.609 177.584 -0.001 0.000 1.063 432 A CA 0.604 52.641 52.037 -0.001 0.000 0.757 432 A CB -0.990 18.009 19.000 -0.001 0.000 0.991 432 A HN 0.769 nan 8.150 nan 0.000 0.503 433 D N -1.021 119.378 120.400 -0.001 0.000 2.946 433 D HA -0.209 4.432 4.640 0.002 0.000 0.202 433 D C 0.627 176.926 176.300 -0.003 0.000 1.068 433 D CA 1.502 55.500 54.000 -0.003 0.000 1.011 433 D CB -1.443 39.355 40.800 -0.004 0.000 1.105 433 D HN 1.060 nan 8.370 nan 0.000 0.425 434 A N 0.191 123.011 122.820 -0.000 0.000 2.250 434 A HA 0.686 5.007 4.320 0.002 0.000 0.283 434 A C 0.407 177.993 177.584 0.003 0.000 1.206 434 A CA -0.057 51.980 52.037 0.000 0.000 0.840 434 A CB 0.734 19.734 19.000 0.001 0.000 1.220 434 A HN 0.212 nan 8.150 nan 0.000 0.505 435 I N -0.145 120.428 120.570 0.004 0.000 2.529 435 I HA 0.424 4.595 4.170 0.002 0.000 0.284 435 I C -0.022 176.102 176.117 0.011 0.000 1.088 435 I CA -0.227 61.078 61.300 0.009 0.000 1.062 435 I CB 1.642 39.644 38.000 0.003 0.000 1.218 435 I HN 0.645 nan 8.210 nan 0.000 0.442 436 A N 8.035 130.865 122.820 0.017 0.000 2.274 436 A HA 0.881 5.202 4.320 0.002 0.000 0.309 436 A C -0.588 177.009 177.584 0.022 0.000 1.226 436 A CA -0.233 51.814 52.037 0.016 0.000 0.853 436 A CB 0.421 19.430 19.000 0.014 0.000 1.146 436 A HN 0.675 nan 8.150 nan 0.000 0.518 437 I N 1.762 122.343 120.570 0.018 0.000 2.533 437 I HA 0.569 4.740 4.170 0.002 0.000 0.290 437 I C 0.677 176.804 176.117 0.017 0.000 1.056 437 I CA -0.390 60.922 61.300 0.020 0.000 1.057 437 I CB 2.709 40.720 38.000 0.017 0.000 1.240 437 I HN 0.706 nan 8.210 nan 0.000 0.423 438 G N 5.771 114.583 108.800 0.020 0.000 4.917 438 G HA2 0.308 4.269 3.960 0.002 0.000 0.244 438 G HA3 0.308 4.269 3.960 0.002 0.000 0.244 438 G C -0.368 174.544 174.900 0.019 0.000 1.072 438 G CA -0.476 44.634 45.100 0.018 0.000 0.850 438 G HN 0.606 nan 8.290 nan 0.000 0.559 439 R N -0.141 120.371 120.500 0.019 0.000 2.740 439 R HA 0.799 5.140 4.340 0.002 0.000 0.282 439 R C 0.283 176.592 176.300 0.015 0.000 0.969 439 R CA -0.589 55.523 56.100 0.019 0.000 0.918 439 R CB 1.397 31.710 30.300 0.022 0.000 1.175 439 R HN 0.084 nan 8.270 nan 0.000 0.464 440 G N 1.352 110.160 108.800 0.014 0.000 2.653 440 G HA2 0.260 4.221 3.960 0.002 0.000 0.265 440 G HA3 0.260 4.221 3.960 0.002 0.000 0.265 440 G C -0.544 174.362 174.900 0.011 0.000 1.237 440 G CA -1.077 44.030 45.100 0.011 0.000 0.946 440 G HN 0.752 nan 8.290 nan 0.000 0.522 441 R N -0.681 119.824 120.500 0.009 0.000 2.486 441 R HA 0.468 4.809 4.340 0.002 0.000 0.286 441 R C -0.079 176.225 176.300 0.008 0.000 0.999 441 R CA -0.796 55.309 56.100 0.008 0.000 0.993 441 R CB 1.200 31.504 30.300 0.006 0.000 1.084 441 R HN 0.494 nan 8.270 nan 0.000 0.487 442 Q N 2.539 122.344 119.800 0.008 0.000 2.293 442 Q HA 0.231 4.572 4.340 0.002 0.000 0.251 442 Q C -0.902 175.101 176.000 0.006 0.000 0.930 442 Q CA -0.488 55.319 55.803 0.007 0.000 0.893 442 Q CB 0.900 29.642 28.738 0.008 0.000 1.215 442 Q HN 0.562 nan 8.270 nan 0.000 0.425 443 I N 4.221 124.794 120.570 0.005 0.000 2.468 443 I HA 0.281 4.452 4.170 0.002 0.000 0.284 443 I C -0.481 175.638 176.117 0.004 0.000 1.038 443 I CA -0.775 60.527 61.300 0.004 0.000 1.083 443 I CB 1.135 39.137 38.000 0.004 0.000 1.223 443 I HN 0.680 nan 8.210 nan 0.000 0.443 444 N N 5.857 124.560 118.700 0.004 0.000 2.364 444 N HA 0.468 5.209 4.740 0.002 0.000 0.264 444 N C -0.309 175.203 175.510 0.003 0.000 1.263 444 N CA -0.263 52.789 53.050 0.003 0.000 0.959 444 N CB 1.096 39.585 38.487 0.003 0.000 1.204 444 N HN 0.376 nan 8.380 nan 0.000 0.550 445 K N 0.659 121.061 120.400 0.003 0.000 2.690 445 K HA 0.167 4.488 4.320 0.002 0.000 0.264 445 K C -1.686 174.916 176.600 0.002 0.000 1.040 445 K CA -0.591 55.698 56.287 0.002 0.000 0.946 445 K CB 1.546 34.047 32.500 0.002 0.000 1.268 445 K HN 0.419 nan 8.250 nan 0.000 0.473 446 D N 3.678 124.079 120.400 0.002 0.000 2.472 446 D HA -0.023 4.618 4.640 0.002 0.000 0.237 446 D C 0.574 176.875 176.300 0.002 0.000 1.141 446 D CA 1.101 55.102 54.000 0.002 0.000 0.875 446 D CB 0.680 41.481 40.800 0.002 0.000 1.192 446 D HN 0.389 nan 8.370 nan 0.000 0.450 447 E N 0.000 120.201 120.200 0.002 0.000 2.725 447 E HA 0.000 4.351 4.350 0.002 0.000 0.291 447 E CA 0.000 56.401 56.400 0.001 0.000 0.976 447 E CB 0.000 29.701 29.700 0.001 0.000 0.812 447 E HN 0.000 nan 8.360 nan 0.000 0.440