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 3f7a_1_B DATA FIRST_RESID 4 DATA SEQUENCE VSATLLIIDD DEVVRESLAA YLEDSNFKVL QALNGLQGLQ IFESEQPDLV DATA SEQUENCE ICDLRXPQID GLELIRRIRQ TASETPIIVL SGAGVMSDAV EALRLGAADY DATA SEQUENCE LIKPLEDLAV LEHSVRRALD RAYLRVENQR YRDKLEAANR ELQASLNLLQ DATA SEQUENCE EDQNAGRQVQ XNXLPVTPWS IEGLEFSHRI IPSLYLSGDF VDYFRVDERR DATA SEQUENCE VAFYLADVSG HGASSAFVTV LLKFXTTRLL YESRRXXXXX XFKPSEVLAH DATA SEQUENCE INRGLINTKL GKHVTXLGGV IDLEKNSLTY SIGGHLPLPV LFVEGQAGYL DATA SEQUENCE EGRXXXVGLF DDATYDDRVX ELPPSFSLSL FSDGILDVXX GATLKEKEAS DATA SEQUENCE LPEQVAAAGG TLDGLRQVFG LANLAEMPDD IALLVLSRN 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.019 176.094 -0.125 0.000 1.182 4 V CA 0.000 62.253 62.300 -0.078 0.000 1.235 4 V CB 0.000 31.785 31.823 -0.063 0.000 1.184 5 S N 2.622 118.233 115.700 -0.148 0.000 2.655 5 S HA 0.861 5.331 4.470 0.000 0.000 0.266 5 S C -0.306 174.173 174.600 -0.201 0.000 1.149 5 S CA 0.208 58.259 58.200 -0.247 0.000 0.818 5 S CB 1.766 64.701 63.200 -0.441 0.000 1.130 5 S HN 2.045 nan 8.310 nan 0.000 0.476 6 A N 1.743 124.412 122.820 -0.251 0.000 2.565 6 A HA 0.459 4.779 4.320 0.000 0.000 0.237 6 A C 0.510 178.137 177.584 0.072 0.000 1.053 6 A CA 0.895 52.895 52.037 -0.062 0.000 0.755 6 A CB -0.474 18.538 19.000 0.020 0.000 0.980 6 A HN 0.810 nan 8.150 nan 0.000 0.506 7 T N 3.169 117.779 114.554 0.094 0.000 2.837 7 T HA 0.577 4.927 4.350 0.000 0.000 0.285 7 T C 0.180 174.963 174.700 0.139 0.000 0.984 7 T CA -0.476 61.693 62.100 0.114 0.000 1.049 7 T CB -0.223 68.672 68.868 0.046 0.000 0.947 7 T HN 0.463 nan 8.240 nan 0.000 0.472 8 L N 3.580 124.891 121.223 0.147 0.000 2.693 8 L HA 0.792 5.133 4.340 0.000 0.000 0.253 8 L C -0.805 176.107 176.870 0.070 0.000 1.155 8 L CA -1.295 53.604 54.840 0.098 0.000 1.026 8 L CB 0.775 42.865 42.059 0.052 0.000 1.817 8 L HN 0.499 nan 8.230 nan 0.000 0.556 9 L N 1.274 122.533 121.223 0.060 0.000 2.513 9 L HA 0.393 4.733 4.340 0.000 0.000 0.256 9 L C -1.015 175.885 176.870 0.052 0.000 1.163 9 L CA 0.202 55.081 54.840 0.065 0.000 0.895 9 L CB 0.838 42.957 42.059 0.101 0.000 1.076 9 L HN 0.395 nan 8.230 nan 0.000 0.491 10 I N 4.313 124.902 120.570 0.033 0.000 2.379 10 I HA 0.368 4.538 4.170 0.000 0.000 0.290 10 I C -0.534 175.597 176.117 0.022 0.000 1.063 10 I CA -0.004 61.307 61.300 0.019 0.000 1.351 10 I CB 0.409 38.414 38.000 0.008 0.000 1.410 10 I HN 0.583 nan 8.210 nan 0.000 0.505 11 I N 7.224 127.805 120.570 0.019 0.000 2.620 11 I HA 0.294 4.464 4.170 0.000 0.000 0.280 11 I C -0.789 175.332 176.117 0.007 0.000 1.143 11 I CA -0.303 61.008 61.300 0.018 0.000 1.163 11 I CB 0.305 38.319 38.000 0.024 0.000 1.461 11 I HN 0.497 nan 8.210 nan 0.000 0.530 12 D N 2.599 123.001 120.400 0.003 0.000 2.375 12 D HA 0.103 4.743 4.640 0.000 0.000 0.247 12 D C 0.711 177.011 176.300 -0.000 0.000 1.061 12 D CA -0.237 53.761 54.000 -0.003 0.000 0.834 12 D CB 2.152 42.946 40.800 -0.010 0.000 1.247 12 D HN 0.273 nan 8.370 nan 0.000 0.489 13 D N 1.799 122.198 120.400 -0.001 0.000 2.092 13 D HA -0.168 4.472 4.640 0.000 0.000 0.193 13 D C -0.463 175.837 176.300 -0.001 0.000 0.994 13 D CA 0.902 54.903 54.000 0.000 0.000 0.828 13 D CB -0.044 40.756 40.800 0.000 0.000 0.963 13 D HN 0.419 nan 8.370 nan 0.000 0.450 14 D N 1.173 121.571 120.400 -0.004 0.000 2.554 14 D HA -0.090 4.550 4.640 0.000 0.000 0.251 14 D C 0.985 177.283 176.300 -0.003 0.000 1.213 14 D CA 0.262 54.259 54.000 -0.005 0.000 0.900 14 D CB 0.557 41.352 40.800 -0.009 0.000 1.135 14 D HN 0.418 nan 8.370 nan 0.000 0.522 15 E N 1.960 122.160 120.200 -0.000 0.000 2.338 15 E HA -0.116 4.234 4.350 0.000 0.000 0.197 15 E C 1.289 177.890 176.600 0.001 0.000 1.007 15 E CA 0.442 56.843 56.400 0.002 0.000 0.849 15 E CB 0.407 30.109 29.700 0.003 0.000 0.774 15 E HN 0.266 nan 8.360 nan 0.000 0.506 16 V N -0.120 119.793 119.914 -0.002 0.000 2.379 16 V HA -0.156 3.964 4.120 0.000 0.000 0.243 16 V C 2.273 178.363 176.094 -0.006 0.000 1.035 16 V CA 0.975 63.273 62.300 -0.003 0.000 1.035 16 V CB 0.006 31.826 31.823 -0.005 0.000 0.673 16 V HN 0.158 nan 8.190 nan 0.000 0.457 17 V N 0.358 120.266 119.914 -0.010 0.000 2.358 17 V HA -0.215 3.905 4.120 0.000 0.000 0.246 17 V C 2.533 178.620 176.094 -0.011 0.000 1.047 17 V CA 2.241 64.531 62.300 -0.016 0.000 1.035 17 V CB -0.799 31.011 31.823 -0.022 0.000 0.658 17 V HN 0.469 nan 8.190 nan 0.000 0.452 18 R N -0.123 120.374 120.500 -0.006 0.000 2.237 18 R HA -0.186 4.154 4.340 0.000 0.000 0.219 18 R C 2.148 178.453 176.300 0.009 0.000 1.080 18 R CA 1.389 57.490 56.100 0.001 0.000 0.995 18 R CB 0.018 30.320 30.300 0.003 0.000 0.875 18 R HN 0.553 nan 8.270 nan 0.000 0.462 19 E N -0.325 119.879 120.200 0.008 0.000 2.072 19 E HA -0.095 4.255 4.350 0.000 0.000 0.190 19 E C 1.771 178.384 176.600 0.021 0.000 0.982 19 E CA 1.443 57.851 56.400 0.014 0.000 0.803 19 E CB -0.044 29.662 29.700 0.010 0.000 0.755 19 E HN 0.174 nan 8.360 nan 0.000 0.453 20 S N -0.892 114.817 115.700 0.015 0.000 2.348 20 S HA -0.062 4.408 4.470 0.000 0.000 0.219 20 S C 1.720 176.345 174.600 0.042 0.000 1.033 20 S CA 0.728 58.941 58.200 0.022 0.000 0.974 20 S CB -0.266 62.932 63.200 -0.003 0.000 0.868 20 S HN 0.219 nan 8.310 nan 0.000 0.459 21 L N 1.972 123.208 121.223 0.022 0.000 2.189 21 L HA -0.002 4.338 4.340 0.000 0.000 0.214 21 L C 2.659 179.574 176.870 0.076 0.000 1.097 21 L CA 1.702 56.565 54.840 0.037 0.000 0.764 21 L CB -1.244 40.816 42.059 0.001 0.000 0.900 21 L HN 0.434 nan 8.230 nan 0.000 0.436 22 A N -0.950 121.903 122.820 0.056 0.000 1.898 22 A HA 0.038 4.358 4.320 0.000 0.000 0.214 22 A C 2.458 180.084 177.584 0.070 0.000 1.183 22 A CA 1.229 53.298 52.037 0.054 0.000 0.622 22 A CB -0.720 18.302 19.000 0.037 0.000 0.824 22 A HN 0.338 nan 8.150 nan 0.000 0.444 23 A N -1.821 121.045 122.820 0.078 0.000 2.067 23 A HA -0.018 4.302 4.320 0.000 0.000 0.219 23 A C 2.032 179.680 177.584 0.108 0.000 1.158 23 A CA 1.534 53.617 52.037 0.077 0.000 0.661 23 A CB -0.599 18.442 19.000 0.069 0.000 0.801 23 A HN 0.708 nan 8.150 nan 0.000 0.452 24 Y N -0.049 120.257 120.300 0.009 0.000 2.201 24 Y HA 0.058 4.608 4.550 0.000 0.000 0.292 24 Y C 1.906 177.821 175.900 0.026 0.000 1.119 24 Y CA 1.426 59.533 58.100 0.012 0.000 1.127 24 Y CB -0.260 38.197 38.460 -0.004 0.000 1.019 24 Y HN 0.163 nan 8.280 nan 0.000 0.514 25 L N 0.394 121.651 121.223 0.057 0.000 2.046 25 L HA -0.219 4.121 4.340 0.000 0.000 0.208 25 L C 2.456 179.361 176.870 0.058 0.000 1.077 25 L CA 2.018 56.837 54.840 -0.035 0.000 0.747 25 L CB -0.485 41.541 42.059 -0.056 0.000 0.896 25 L HN 0.328 nan 8.230 nan 0.000 0.432 26 E N -0.298 119.936 120.200 0.056 0.000 2.347 26 E HA -0.243 4.107 4.350 0.000 0.000 0.196 26 E C 1.510 178.124 176.600 0.023 0.000 1.008 26 E CA 0.705 57.145 56.400 0.066 0.000 0.852 26 E CB 0.161 29.891 29.700 0.050 0.000 0.783 26 E HN 0.335 nan 8.360 nan 0.000 0.505 27 D N -0.320 120.064 120.400 -0.027 0.000 2.234 27 D HA -0.010 4.630 4.640 0.000 0.000 0.205 27 D C 0.850 177.106 176.300 -0.073 0.000 0.962 27 D CA 0.560 54.526 54.000 -0.056 0.000 0.855 27 D CB 0.129 40.880 40.800 -0.082 0.000 0.951 27 D HN -0.056 nan 8.370 nan 0.000 0.500 28 S N 0.461 116.117 115.700 -0.073 0.000 2.677 28 S HA 0.112 4.582 4.470 0.000 0.000 0.246 28 S C 0.203 174.790 174.600 -0.022 0.000 1.005 28 S CA -0.303 57.876 58.200 -0.035 0.000 1.062 28 S CB -0.167 63.029 63.200 -0.008 0.000 0.778 28 S HN 0.210 nan 8.310 nan 0.000 0.461 29 N N -0.287 118.390 118.700 -0.039 0.000 2.972 29 N HA -0.170 4.570 4.740 0.000 0.000 0.225 29 N C -0.394 175.042 175.510 -0.123 0.000 0.883 29 N CA 0.832 53.822 53.050 -0.101 0.000 1.010 29 N CB -1.701 36.685 38.487 -0.169 0.000 1.052 29 N HN 0.446 nan 8.380 nan 0.000 0.598 30 F N 1.470 121.387 119.950 -0.055 0.000 2.506 30 F HA 0.147 4.674 4.527 -0.000 0.000 0.351 30 F C 1.419 177.204 175.800 -0.025 0.000 1.136 30 F CA 0.344 58.322 58.000 -0.036 0.000 1.298 30 F CB 0.511 39.491 39.000 -0.033 0.000 1.145 30 F HN -0.203 nan 8.300 nan 0.000 0.593 31 K N 2.763 123.271 120.400 0.180 0.000 2.267 31 K HA 0.393 4.713 4.320 0.000 0.000 0.282 31 K C -1.164 175.501 176.600 0.108 0.000 1.078 31 K CA -0.460 55.887 56.287 0.101 0.000 0.903 31 K CB 1.027 33.559 32.500 0.055 0.000 1.111 31 K HN 0.482 nan 8.250 nan 0.000 0.475 32 V N 7.192 127.155 119.914 0.081 0.000 2.383 32 V HA 0.354 4.474 4.120 0.000 0.000 0.275 32 V C -0.838 175.284 176.094 0.045 0.000 1.036 32 V CA -0.605 61.733 62.300 0.063 0.000 0.889 32 V CB 0.696 32.551 31.823 0.054 0.000 0.985 32 V HN 0.671 nan 8.190 nan 0.000 0.459 33 L N 7.557 128.806 121.223 0.043 0.000 2.294 33 L HA 0.521 4.861 4.340 0.000 0.000 0.283 33 L C 0.222 177.114 176.870 0.036 0.000 1.015 33 L CA -0.309 54.553 54.840 0.037 0.000 0.831 33 L CB 1.574 43.655 42.059 0.037 0.000 1.217 33 L HN 0.663 nan 8.230 nan 0.000 0.420 34 Q N 2.275 122.093 119.800 0.030 0.000 2.318 34 Q HA 0.758 5.098 4.340 0.000 0.000 0.222 34 Q C -0.378 175.638 176.000 0.028 0.000 1.003 34 Q CA -0.615 55.204 55.803 0.027 0.000 0.936 34 Q CB 2.015 30.766 28.738 0.022 0.000 1.204 34 Q HN 0.702 nan 8.270 nan 0.000 0.524 35 A N 1.241 124.075 122.820 0.024 0.000 2.509 35 A HA 0.313 4.633 4.320 0.000 0.000 0.282 35 A C -0.388 177.207 177.584 0.018 0.000 1.054 35 A CA -0.494 51.558 52.037 0.024 0.000 0.820 35 A CB 0.421 19.440 19.000 0.032 0.000 1.333 35 A HN 0.628 nan 8.150 nan 0.000 0.409 36 L N 0.931 122.163 121.223 0.016 0.000 2.156 36 L HA 0.065 4.405 4.340 0.000 0.000 0.208 36 L C 0.669 177.545 176.870 0.010 0.000 1.095 36 L CA 1.262 56.109 54.840 0.012 0.000 0.770 36 L CB -0.365 41.701 42.059 0.011 0.000 0.914 36 L HN 0.632 nan 8.230 nan 0.000 0.439 37 N N -1.111 117.596 118.700 0.012 0.000 2.314 37 N HA 0.354 5.095 4.740 0.000 0.000 0.304 37 N C 0.976 176.493 175.510 0.012 0.000 1.073 37 N CA 0.126 53.182 53.050 0.010 0.000 0.822 37 N CB 1.646 40.139 38.487 0.010 0.000 1.280 37 N HN -0.072 nan 8.380 nan 0.000 0.489 38 G N 0.672 109.476 108.800 0.008 0.000 2.535 38 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 38 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 38 G C 1.220 176.124 174.900 0.006 0.000 1.122 38 G CA 0.493 45.597 45.100 0.006 0.000 0.769 38 G HN 0.496 nan 8.290 nan 0.000 0.549 39 L N -0.005 121.223 121.223 0.009 0.000 2.004 39 L HA -0.012 4.328 4.340 0.000 0.000 0.205 39 L C 3.260 180.141 176.870 0.019 0.000 1.089 39 L CA 1.731 56.578 54.840 0.010 0.000 0.756 39 L CB -0.489 41.575 42.059 0.010 0.000 0.900 39 L HN 0.448 nan 8.230 nan 0.000 0.440 40 Q N -0.385 119.428 119.800 0.022 0.000 2.248 40 Q HA -0.182 4.158 4.340 0.000 0.000 0.208 40 Q C 1.804 177.830 176.000 0.043 0.000 0.984 40 Q CA 1.732 57.553 55.803 0.030 0.000 0.875 40 Q CB -0.932 27.821 28.738 0.026 0.000 0.910 40 Q HN 0.586 nan 8.270 nan 0.000 0.433 41 G N 1.583 110.408 108.800 0.042 0.000 2.422 41 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 41 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 41 G C 1.362 176.313 174.900 0.086 0.000 1.146 41 G CA 0.816 45.952 45.100 0.060 0.000 0.769 41 G HN 0.382 nan 8.290 nan 0.000 0.547 42 L N 0.063 121.318 121.223 0.053 0.000 2.291 42 L HA 0.176 4.516 4.340 0.000 0.000 0.214 42 L C 2.443 179.371 176.870 0.096 0.000 1.120 42 L CA 1.746 56.614 54.840 0.047 0.000 0.799 42 L CB -0.225 41.831 42.059 -0.005 0.000 0.925 42 L HN 0.279 nan 8.230 nan 0.000 0.446 43 Q N -0.424 119.425 119.800 0.082 0.000 2.163 43 Q HA 0.024 4.364 4.340 0.000 0.000 0.198 43 Q C 2.046 178.103 176.000 0.095 0.000 0.954 43 Q CA 1.478 57.329 55.803 0.079 0.000 0.851 43 Q CB -0.159 28.609 28.738 0.050 0.000 0.928 43 Q HN 0.618 nan 8.270 nan 0.000 0.459 44 I N -0.066 120.563 120.570 0.097 0.000 2.286 44 I HA -0.214 3.956 4.170 0.000 0.000 0.248 44 I C 1.875 178.056 176.117 0.105 0.000 1.115 44 I CA 1.010 62.360 61.300 0.083 0.000 1.392 44 I CB -0.323 37.721 38.000 0.074 0.000 1.065 44 I HN 0.219 nan 8.210 nan 0.000 0.418 45 F N 1.997 121.955 119.950 0.013 0.000 2.113 45 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 45 F C 2.445 178.253 175.800 0.013 0.000 1.103 45 F CA 1.691 59.700 58.000 0.015 0.000 1.248 45 F CB -0.091 38.917 39.000 0.015 0.000 0.999 45 F HN -0.014 nan 8.300 nan 0.000 0.475 46 E N -0.097 120.303 120.200 0.332 0.000 2.265 46 E HA -0.169 4.181 4.350 0.000 0.000 0.196 46 E C 2.208 178.851 176.600 0.072 0.000 0.996 46 E CA 1.140 57.669 56.400 0.216 0.000 0.832 46 E CB -0.182 29.617 29.700 0.165 0.000 0.756 46 E HN 0.535 nan 8.360 nan 0.000 0.491 47 S N 1.573 117.295 115.700 0.037 0.000 2.311 47 S HA -0.099 4.371 4.470 0.000 0.000 0.209 47 S C 1.015 175.591 174.600 -0.040 0.000 1.029 47 S CA 0.448 58.650 58.200 0.003 0.000 0.968 47 S CB -0.153 63.052 63.200 0.009 0.000 0.946 47 S HN 0.187 nan 8.310 nan 0.000 0.450 48 E N 1.953 122.108 120.200 -0.074 0.000 2.149 48 E HA 0.427 4.777 4.350 0.000 0.000 0.255 48 E C -0.615 175.845 176.600 -0.234 0.000 0.888 48 E CA -0.866 55.465 56.400 -0.114 0.000 0.742 48 E CB 0.379 30.035 29.700 -0.073 0.000 1.164 48 E HN 0.515 nan 8.360 nan 0.000 0.422 49 Q N 4.062 123.669 119.800 -0.322 0.000 2.388 49 Q HA 0.152 4.492 4.340 0.000 0.000 0.302 49 Q C -2.293 173.449 176.000 -0.430 0.000 1.149 49 Q CA -0.501 54.942 55.803 -0.601 0.000 1.014 49 Q CB -1.166 27.324 28.738 -0.413 0.000 1.072 49 Q HN 0.433 nan 8.270 nan 0.000 0.395 50 P HA 0.210 nan 4.420 nan 0.000 0.274 50 P C -0.272 176.976 177.300 -0.087 0.000 1.246 50 P CA -0.581 62.412 63.100 -0.179 0.000 0.795 50 P CB 0.930 32.587 31.700 -0.072 0.000 1.006 51 D N -0.467 119.939 120.400 0.009 0.000 2.213 51 D HA 0.078 4.718 4.640 0.000 0.000 0.205 51 D C 0.345 176.705 176.300 0.099 0.000 0.961 51 D CA 1.166 55.201 54.000 0.059 0.000 0.853 51 D CB 0.075 40.925 40.800 0.083 0.000 0.967 51 D HN 0.092 nan 8.370 nan 0.000 0.496 52 L N 0.061 121.347 121.223 0.105 0.000 2.472 52 L HA 0.396 4.736 4.340 0.000 0.000 0.260 52 L C -1.701 175.234 176.870 0.108 0.000 0.963 52 L CA -0.807 54.096 54.840 0.105 0.000 0.829 52 L CB 2.601 44.706 42.059 0.077 0.000 1.348 52 L HN -0.326 nan 8.230 nan 0.000 0.408 53 V N 5.997 125.977 119.914 0.110 0.000 2.357 53 V HA 0.472 4.592 4.120 0.000 0.000 0.281 53 V C -0.236 175.888 176.094 0.050 0.000 1.015 53 V CA -0.312 62.049 62.300 0.102 0.000 0.827 53 V CB 1.194 33.106 31.823 0.149 0.000 1.018 53 V HN 0.582 nan 8.190 nan 0.000 0.432 54 I N 5.327 125.913 120.570 0.027 0.000 2.321 54 I HA 0.672 4.842 4.170 0.000 0.000 0.291 54 I C 0.240 176.357 176.117 -0.000 0.000 0.998 54 I CA -0.314 60.986 61.300 0.001 0.000 1.227 54 I CB 1.053 39.040 38.000 -0.022 0.000 1.368 54 I HN 0.733 nan 8.210 nan 0.000 0.466 55 C N 2.459 121.755 119.300 -0.007 0.000 3.291 55 C HA 0.624 5.084 4.460 0.000 0.000 0.316 55 C C -0.264 174.716 174.990 -0.016 0.000 1.391 55 C CA -0.689 58.325 59.018 -0.006 0.000 1.394 55 C CB 1.876 29.617 27.740 0.003 0.000 1.744 55 C HN 0.733 nan 8.230 nan 0.000 0.461 56 D N -0.823 119.569 120.400 -0.013 0.000 2.475 56 D HA 0.597 5.237 4.640 0.000 0.000 0.286 56 D C 0.675 176.976 176.300 0.003 0.000 1.205 56 D CA 0.312 54.304 54.000 -0.013 0.000 1.092 56 D CB 1.102 41.895 40.800 -0.013 0.000 1.147 56 D HN 0.829 nan 8.370 nan 0.000 0.575 57 L N -3.510 117.719 121.223 0.010 0.000 2.860 57 L HA 0.508 4.848 4.340 0.000 0.000 0.251 57 L C 1.131 178.009 176.870 0.013 0.000 1.041 57 L CA 0.014 54.865 54.840 0.018 0.000 0.985 57 L CB -0.800 41.283 42.059 0.039 0.000 1.656 57 L HN 0.195 nan 8.230 nan 0.000 0.526 61 Q N -0.428 119.373 119.800 0.002 0.000 1.692 61 Q HA -0.195 4.145 4.340 0.000 0.000 0.332 61 Q C 0.381 176.381 176.000 0.001 0.000 0.767 61 Q CA 1.385 57.190 55.803 0.002 0.000 0.934 61 Q CB -1.486 27.254 28.738 0.003 0.000 2.756 61 Q HN 0.615 nan 8.270 nan 0.000 0.655 62 I N 4.144 124.714 120.570 -0.000 0.000 2.588 62 I HA 0.034 4.204 4.170 0.000 0.000 0.283 62 I C 0.792 176.908 176.117 -0.003 0.000 1.119 62 I CA -0.112 61.186 61.300 -0.003 0.000 1.419 62 I CB 0.358 38.355 38.000 -0.006 0.000 1.394 62 I HN 0.424 nan 8.210 nan 0.000 0.562 63 D N 4.457 124.854 120.400 -0.003 0.000 2.478 63 D HA 0.228 4.868 4.640 0.000 0.000 0.263 63 D C 1.077 177.375 176.300 -0.003 0.000 1.153 63 D CA -0.666 53.334 54.000 -0.001 0.000 1.038 63 D CB 0.569 41.370 40.800 0.001 0.000 1.120 63 D HN 0.547 nan 8.370 nan 0.000 0.564 64 G N -0.417 108.384 108.800 0.003 0.000 2.480 64 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 64 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 64 G C 1.600 176.500 174.900 0.000 0.000 1.200 64 G CA 0.745 45.848 45.100 0.004 0.000 0.782 64 G HN 0.482 nan 8.290 nan 0.000 0.554 65 L N 0.200 121.426 121.223 0.005 0.000 2.189 65 L HA -0.094 4.246 4.340 0.000 0.000 0.214 65 L C 2.657 179.520 176.870 -0.012 0.000 1.097 65 L CA 1.574 56.414 54.840 0.000 0.000 0.764 65 L CB -0.314 41.746 42.059 0.002 0.000 0.900 65 L HN 0.293 nan 8.230 nan 0.000 0.436 66 E N 0.543 120.734 120.200 -0.015 0.000 2.127 66 E HA -0.107 4.243 4.350 0.000 0.000 0.191 66 E C 2.165 178.743 176.600 -0.038 0.000 0.964 66 E CA 0.277 56.663 56.400 -0.023 0.000 0.832 66 E CB -0.094 29.595 29.700 -0.017 0.000 0.790 66 E HN 0.312 nan 8.360 nan 0.000 0.465 67 L N 0.859 122.059 121.223 -0.037 0.000 2.064 67 L HA -0.223 4.117 4.340 0.000 0.000 0.216 67 L C 2.357 179.170 176.870 -0.095 0.000 1.077 67 L CA 1.752 56.557 54.840 -0.058 0.000 0.766 67 L CB -0.261 41.772 42.059 -0.042 0.000 0.890 67 L HN 0.378 nan 8.230 nan 0.000 0.435 68 I N -0.846 119.679 120.570 -0.075 0.000 2.233 68 I HA -0.280 3.890 4.170 0.000 0.000 0.243 68 I C 2.556 178.621 176.117 -0.088 0.000 1.093 68 I CA 0.997 62.244 61.300 -0.089 0.000 1.380 68 I CB -0.196 37.775 38.000 -0.048 0.000 1.067 68 I HN 0.249 nan 8.210 nan 0.000 0.413 69 R N 0.462 120.927 120.500 -0.059 0.000 2.185 69 R HA -0.215 4.125 4.340 0.000 0.000 0.247 69 R C 2.325 178.590 176.300 -0.058 0.000 1.159 69 R CA 1.630 57.702 56.100 -0.047 0.000 0.988 69 R CB -0.333 29.947 30.300 -0.033 0.000 0.871 69 R HN 0.506 nan 8.270 nan 0.000 0.458 70 R N -0.154 120.297 120.500 -0.081 0.000 2.090 70 R HA 0.106 4.446 4.340 0.000 0.000 0.219 70 R C 2.244 178.463 176.300 -0.137 0.000 1.100 70 R CA 0.551 56.598 56.100 -0.088 0.000 0.991 70 R CB -0.032 30.219 30.300 -0.082 0.000 0.893 70 R HN 0.115 nan 8.270 nan 0.000 0.443 71 I N 1.179 121.606 120.570 -0.237 0.000 2.399 71 I HA -0.247 3.923 4.170 0.000 0.000 0.254 71 I C 1.675 177.679 176.117 -0.188 0.000 1.146 71 I CA 1.391 62.453 61.300 -0.397 0.000 1.412 71 I CB -0.554 37.099 38.000 -0.579 0.000 1.076 71 I HN 0.116 nan 8.210 nan 0.000 0.432 72 R N 0.422 120.858 120.500 -0.107 0.000 2.300 72 R HA 0.083 4.423 4.340 0.000 0.000 0.199 72 R C 1.710 177.996 176.300 -0.023 0.000 0.920 72 R CA 0.328 56.401 56.100 -0.044 0.000 1.046 72 R CB -0.081 30.200 30.300 -0.033 0.000 0.984 72 R HN 0.540 nan 8.270 nan 0.000 0.493 73 Q N -1.058 118.723 119.800 -0.031 0.000 2.352 73 Q HA 0.064 4.405 4.340 0.000 0.000 0.212 73 Q C 1.148 177.148 176.000 0.001 0.000 0.888 73 Q CA 0.513 56.308 55.803 -0.013 0.000 0.934 73 Q CB 0.688 29.416 28.738 -0.017 0.000 1.093 73 Q HN 0.014 nan 8.270 nan 0.000 0.523 74 T N -0.607 113.949 114.554 0.004 0.000 3.194 74 T HA 0.200 4.551 4.350 0.000 0.000 0.251 74 T C 1.032 175.770 174.700 0.063 0.000 1.132 74 T CA 0.774 62.898 62.100 0.040 0.000 1.028 74 T CB -0.303 68.606 68.868 0.068 0.000 0.976 74 T HN 0.362 nan 8.240 nan 0.000 0.535 75 A N -0.034 122.814 122.820 0.047 0.000 3.153 75 A HA -0.149 4.171 4.320 0.000 0.000 0.265 75 A C 0.966 178.597 177.584 0.079 0.000 1.212 75 A CA 1.065 53.132 52.037 0.051 0.000 1.018 75 A CB -2.389 16.636 19.000 0.041 0.000 1.130 75 A HN 0.564 nan 8.150 nan 0.000 0.873 76 S N 1.613 117.389 115.700 0.126 0.000 3.170 76 S HA 0.347 4.817 4.470 0.000 0.000 0.257 76 S C 0.007 174.722 174.600 0.192 0.000 1.284 76 S CA -0.427 57.897 58.200 0.205 0.000 0.973 76 S CB 0.390 63.853 63.200 0.437 0.000 1.330 76 S HN 0.376 nan 8.310 nan 0.000 0.493 77 E N 3.296 123.566 120.200 0.117 0.000 1.999 77 E HA 0.048 4.398 4.350 0.000 0.000 0.296 77 E C 0.548 177.217 176.600 0.115 0.000 1.187 77 E CA -0.094 56.361 56.400 0.092 0.000 1.229 77 E CB -0.673 29.061 29.700 0.057 0.000 1.131 77 E HN 0.605 nan 8.360 nan 0.000 0.478 78 T N -1.145 113.516 114.554 0.178 0.000 2.867 78 T HA 0.484 4.834 4.350 0.000 0.000 0.282 78 T C -2.539 172.250 174.700 0.147 0.000 1.000 78 T CA -2.713 59.499 62.100 0.186 0.000 1.042 78 T CB 1.663 70.710 68.868 0.299 0.000 0.973 78 T HN -0.125 nan 8.240 nan 0.000 0.465 79 P HA 0.184 nan 4.420 nan 0.000 0.261 79 P C -0.750 176.605 177.300 0.091 0.000 1.173 79 P CA 0.199 63.355 63.100 0.092 0.000 0.760 79 P CB 0.090 31.843 31.700 0.088 0.000 0.783 80 I N 4.590 125.199 120.570 0.065 0.000 2.466 80 I HA 0.335 4.505 4.170 0.000 0.000 0.279 80 I C 0.284 176.427 176.117 0.042 0.000 1.033 80 I CA -0.521 60.809 61.300 0.051 0.000 1.123 80 I CB 0.872 38.890 38.000 0.030 0.000 1.237 80 I HN 0.144 nan 8.210 nan 0.000 0.460 81 I N 5.849 126.439 120.570 0.033 0.000 2.577 81 I HA 0.384 4.554 4.170 0.000 0.000 0.300 81 I C -0.262 175.857 176.117 0.003 0.000 0.990 81 I CA -0.887 60.424 61.300 0.018 0.000 1.283 81 I CB 2.091 40.091 38.000 0.000 0.000 1.411 81 I HN 0.177 nan 8.210 nan 0.000 0.515 82 V N 6.070 125.975 119.914 -0.015 0.000 2.357 82 V HA 0.112 4.232 4.120 0.000 0.000 0.281 82 V C 0.155 176.156 176.094 -0.155 0.000 1.015 82 V CA -0.561 61.709 62.300 -0.049 0.000 0.827 82 V CB 1.162 32.994 31.823 0.016 0.000 1.018 82 V HN 0.540 nan 8.190 nan 0.000 0.432 83 L N 2.450 123.598 121.223 -0.125 0.000 2.922 83 L HA 0.396 4.736 4.340 0.000 0.000 0.244 83 L C 1.002 177.766 176.870 -0.177 0.000 1.324 83 L CA 0.451 55.197 54.840 -0.156 0.000 1.172 83 L CB -0.878 41.121 42.059 -0.100 0.000 1.545 83 L HN 0.441 nan 8.230 nan 0.000 0.438 84 S N 0.533 116.085 115.700 -0.246 0.000 2.593 84 S HA 0.179 4.649 4.470 0.000 0.000 0.303 84 S C 1.315 175.831 174.600 -0.139 0.000 1.267 84 S CA 0.495 58.587 58.200 -0.180 0.000 1.047 84 S CB 0.322 63.396 63.200 -0.210 0.000 0.777 84 S HN 0.740 nan 8.310 nan 0.000 0.498 85 G N 2.537 111.301 108.800 -0.061 0.000 3.651 85 G HA2 0.580 4.540 3.960 0.000 0.000 0.279 85 G HA3 0.580 4.540 3.960 0.000 0.000 0.279 85 G C -0.098 174.798 174.900 -0.007 0.000 1.024 85 G CA 0.321 45.397 45.100 -0.040 0.000 0.813 85 G HN 1.010 nan 8.290 nan 0.000 0.518 86 A N -0.549 122.284 122.820 0.020 0.000 2.350 86 A HA 0.704 5.024 4.320 0.000 0.000 0.324 86 A C 0.990 178.627 177.584 0.087 0.000 1.118 86 A CA -0.012 52.053 52.037 0.047 0.000 0.783 86 A CB 1.624 20.654 19.000 0.051 0.000 1.236 86 A HN 0.405 nan 8.150 nan 0.000 0.457 87 G N 0.606 109.445 108.800 0.065 0.000 3.141 87 G HA2 0.371 4.331 3.960 0.000 0.000 0.218 87 G HA3 0.371 4.331 3.960 0.000 0.000 0.218 87 G C 0.302 175.237 174.900 0.059 0.000 1.170 87 G CA 0.168 45.312 45.100 0.073 0.000 0.769 87 G HN 0.636 nan 8.290 nan 0.000 0.546 88 V N 2.164 122.111 119.914 0.055 0.000 2.599 88 V HA -0.002 4.118 4.120 0.000 0.000 0.300 88 V C 1.604 177.699 176.094 0.001 0.000 1.034 88 V CA 0.620 62.936 62.300 0.026 0.000 1.115 88 V CB 1.138 32.976 31.823 0.025 0.000 0.934 88 V HN 0.584 nan 8.190 nan 0.000 0.485 89 M N 3.729 123.315 119.600 -0.023 0.000 2.248 89 M HA -0.016 4.464 4.480 0.000 0.000 0.265 89 M C 1.901 178.156 176.300 -0.075 0.000 1.079 89 M CA 1.892 57.155 55.300 -0.061 0.000 1.150 89 M CB -0.426 32.145 32.600 -0.047 0.000 1.366 89 M HN 0.596 nan 8.290 nan 0.000 0.433 90 S N -0.272 115.401 115.700 -0.045 0.000 2.428 90 S HA -0.079 4.391 4.470 0.000 0.000 0.230 90 S C 1.244 175.820 174.600 -0.039 0.000 1.014 90 S CA 1.127 59.303 58.200 -0.041 0.000 0.957 90 S CB -0.612 62.573 63.200 -0.024 0.000 0.784 90 S HN 0.469 nan 8.310 nan 0.000 0.499 91 D N 1.789 122.173 120.400 -0.027 0.000 2.317 91 D HA 0.287 4.927 4.640 0.000 0.000 0.211 91 D C 1.884 178.169 176.300 -0.025 0.000 0.966 91 D CA 0.968 54.965 54.000 -0.005 0.000 0.876 91 D CB -0.124 40.694 40.800 0.030 0.000 0.927 91 D HN 0.568 nan 8.370 nan 0.000 0.519 92 A N -0.082 122.662 122.820 -0.127 0.000 1.973 92 A HA 0.042 4.362 4.320 0.000 0.000 0.210 92 A C 2.285 179.711 177.584 -0.264 0.000 1.200 92 A CA 0.232 52.061 52.037 -0.347 0.000 0.707 92 A CB -0.205 18.317 19.000 -0.797 0.000 0.862 92 A HN 0.086 nan 8.150 nan 0.000 0.461 93 V N 0.725 120.534 119.914 -0.175 0.000 2.343 93 V HA -0.239 3.881 4.120 0.000 0.000 0.247 93 V C 2.170 178.220 176.094 -0.073 0.000 1.051 93 V CA 2.223 64.453 62.300 -0.117 0.000 1.036 93 V CB -0.814 30.959 31.823 -0.084 0.000 0.654 93 V HN 0.614 nan 8.190 nan 0.000 0.451 94 E N 0.111 120.278 120.200 -0.055 0.000 2.427 94 E HA 0.020 4.370 4.350 0.000 0.000 0.196 94 E C 2.166 178.755 176.600 -0.019 0.000 1.028 94 E CA 0.804 57.186 56.400 -0.031 0.000 0.864 94 E CB -0.133 29.553 29.700 -0.022 0.000 0.813 94 E HN 0.608 nan 8.360 nan 0.000 0.514 95 A N 0.679 123.488 122.820 -0.018 0.000 2.016 95 A HA -0.024 4.296 4.320 0.000 0.000 0.217 95 A C 1.886 179.479 177.584 0.015 0.000 1.162 95 A CA 0.745 52.791 52.037 0.015 0.000 0.662 95 A CB -0.020 19.020 19.000 0.065 0.000 0.812 95 A HN 0.137 nan 8.150 nan 0.000 0.450 96 L N -1.516 119.701 121.223 -0.009 0.000 2.693 96 L HA 0.222 4.562 4.340 0.000 0.000 0.235 96 L C 2.232 179.097 176.870 -0.008 0.000 1.127 96 L CA -0.064 54.775 54.840 -0.001 0.000 0.914 96 L CB 0.091 42.144 42.059 -0.012 0.000 1.193 96 L HN 0.220 nan 8.230 nan 0.000 0.502 97 R N 0.263 120.755 120.500 -0.014 0.000 2.093 97 R HA 0.068 4.408 4.340 0.000 0.000 0.224 97 R C 1.682 177.979 176.300 -0.005 0.000 1.101 97 R CA 1.022 57.116 56.100 -0.011 0.000 0.979 97 R CB -0.101 30.190 30.300 -0.016 0.000 0.877 97 R HN 0.316 nan 8.270 nan 0.000 0.441 98 L N -0.054 121.166 121.223 -0.004 0.000 2.599 98 L HA 0.230 4.570 4.340 0.000 0.000 0.230 98 L C 0.474 177.345 176.870 0.003 0.000 1.141 98 L CA 0.114 54.952 54.840 -0.003 0.000 0.877 98 L CB -0.012 42.042 42.059 -0.007 0.000 1.009 98 L HN 0.276 nan 8.230 nan 0.000 0.447 99 G N 0.845 109.650 108.800 0.008 0.000 3.110 99 G HA2 0.123 4.083 3.960 0.000 0.000 0.506 99 G HA3 0.123 4.083 3.960 0.000 0.000 0.506 99 G C -0.492 174.423 174.900 0.024 0.000 1.077 99 G CA -0.345 44.764 45.100 0.016 0.000 0.960 99 G HN 0.449 nan 8.290 nan 0.000 0.434 100 A N 1.843 124.683 122.820 0.034 0.000 2.414 100 A HA 1.084 5.404 4.320 0.000 0.000 0.306 100 A C 0.980 178.597 177.584 0.056 0.000 1.054 100 A CA 0.339 52.405 52.037 0.048 0.000 0.724 100 A CB 1.414 20.452 19.000 0.064 0.000 1.267 100 A HN 2.343 nan 8.150 nan 0.000 0.418 101 A N 0.884 123.739 122.820 0.057 0.000 1.827 101 A HA 0.132 4.452 4.320 0.000 0.000 0.215 101 A C 0.660 178.285 177.584 0.069 0.000 1.212 101 A CA 2.151 54.222 52.037 0.058 0.000 0.624 101 A CB -0.212 18.820 19.000 0.053 0.000 0.853 101 A HN 0.772 nan 8.150 nan 0.000 0.450 102 D N -2.458 117.986 120.400 0.073 0.000 2.386 102 D HA 0.302 4.942 4.640 0.000 0.000 0.247 102 D C -1.593 174.765 176.300 0.097 0.000 1.336 102 D CA -0.528 53.524 54.000 0.086 0.000 0.976 102 D CB 0.414 41.256 40.800 0.069 0.000 1.257 102 D HN 0.250 nan 8.370 nan 0.000 0.570 103 Y N 4.267 124.573 120.300 0.010 0.000 2.442 103 Y HA 0.342 4.892 4.550 -0.000 0.000 0.330 103 Y C -0.629 175.272 175.900 0.002 0.000 1.129 103 Y CA 0.389 58.492 58.100 0.004 0.000 1.365 103 Y CB 0.497 38.958 38.460 0.002 0.000 1.233 103 Y HN 0.321 nan 8.280 nan 0.000 0.529 104 L N 6.247 127.125 121.223 -0.575 0.000 2.211 104 L HA 0.619 4.960 4.340 0.000 0.000 0.259 104 L C -0.890 175.617 176.870 -0.604 0.000 1.031 104 L CA -1.563 53.039 54.840 -0.396 0.000 0.877 104 L CB 1.680 43.606 42.059 -0.220 0.000 1.457 104 L HN 0.625 nan 8.230 nan 0.000 0.466 105 I N -1.698 118.716 120.570 -0.260 0.000 3.002 105 I HA 0.644 4.814 4.170 0.000 0.000 0.310 105 I C -0.921 175.127 176.117 -0.115 0.000 1.087 105 I CA -0.793 60.406 61.300 -0.168 0.000 1.017 105 I CB 1.786 39.771 38.000 -0.025 0.000 1.226 105 I HN 0.371 nan 8.210 nan 0.000 0.443 106 K N 1.400 121.753 120.400 -0.079 0.000 2.443 106 K HA 0.731 5.051 4.320 0.000 0.000 0.251 106 K C -2.669 173.909 176.600 -0.036 0.000 0.972 106 K CA -1.539 54.711 56.287 -0.061 0.000 0.833 106 K CB 1.611 34.072 32.500 -0.064 0.000 1.317 106 K HN 0.508 nan 8.250 nan 0.000 0.441 107 P HA 0.178 nan 4.420 nan 0.000 0.286 107 P C -1.126 176.146 177.300 -0.048 0.000 1.269 107 P CA -0.744 62.330 63.100 -0.043 0.000 0.787 107 P CB 0.383 32.062 31.700 -0.035 0.000 0.920 108 L N 1.024 122.210 121.223 -0.061 0.000 2.307 108 L HA 0.509 4.849 4.340 0.000 0.000 0.282 108 L C 0.763 177.592 176.870 -0.070 0.000 1.051 108 L CA -0.452 54.349 54.840 -0.065 0.000 0.804 108 L CB 0.955 42.968 42.059 -0.076 0.000 1.197 108 L HN 0.320 nan 8.230 nan 0.000 0.431 109 E N 1.089 121.251 120.200 -0.062 0.000 2.190 109 E HA -0.049 4.301 4.350 0.000 0.000 0.191 109 E C -0.065 176.486 176.600 -0.081 0.000 0.978 109 E CA 0.590 56.952 56.400 -0.063 0.000 0.839 109 E CB 0.251 29.923 29.700 -0.046 0.000 0.787 109 E HN 0.806 nan 8.360 nan 0.000 0.473 110 D N 0.010 120.361 120.400 -0.081 0.000 2.365 110 D HA 0.037 4.677 4.640 0.000 0.000 0.237 110 D C 0.137 176.350 176.300 -0.144 0.000 1.190 110 D CA -0.195 53.749 54.000 -0.094 0.000 0.867 110 D CB 0.832 41.594 40.800 -0.063 0.000 1.050 110 D HN 0.040 nan 8.370 nan 0.000 0.491 111 L N 3.295 124.375 121.223 -0.238 0.000 2.622 111 L HA 0.085 4.426 4.340 0.000 0.000 0.233 111 L C 1.961 178.576 176.870 -0.425 0.000 1.156 111 L CA 0.592 55.171 54.840 -0.435 0.000 0.866 111 L CB -0.417 41.192 42.059 -0.749 0.000 0.980 111 L HN 0.508 nan 8.230 nan 0.000 0.448 112 A N -1.025 121.700 122.820 -0.159 0.000 2.035 112 A HA 0.043 4.363 4.320 0.000 0.000 0.208 112 A C 2.203 179.816 177.584 0.047 0.000 1.206 112 A CA 0.743 52.798 52.037 0.029 0.000 0.773 112 A CB -0.480 18.567 19.000 0.077 0.000 0.878 112 A HN 0.198 nan 8.150 nan 0.000 0.469 113 V N -1.270 118.640 119.914 -0.007 0.000 2.439 113 V HA -0.287 3.833 4.120 0.000 0.000 0.253 113 V C 2.183 178.298 176.094 0.035 0.000 1.074 113 V CA 2.286 64.585 62.300 -0.001 0.000 1.076 113 V CB -1.084 30.715 31.823 -0.039 0.000 0.664 113 V HN 0.351 nan 8.190 nan 0.000 0.461 114 L N 0.650 121.880 121.223 0.012 0.000 2.005 114 L HA -0.035 4.305 4.340 0.000 0.000 0.207 114 L C 2.698 179.595 176.870 0.045 0.000 1.072 114 L CA 2.066 56.913 54.840 0.011 0.000 0.744 114 L CB -1.014 41.031 42.059 -0.023 0.000 0.895 114 L HN 0.320 nan 8.230 nan 0.000 0.433 115 E N -0.669 119.583 120.200 0.087 0.000 2.108 115 E HA -0.381 3.969 4.350 0.000 0.000 0.203 115 E C 2.123 178.775 176.600 0.087 0.000 1.022 115 E CA 2.113 58.565 56.400 0.086 0.000 0.823 115 E CB -0.597 29.201 29.700 0.162 0.000 0.744 115 E HN 0.709 nan 8.360 nan 0.000 0.456 116 H N 0.690 119.779 119.070 0.033 0.000 2.267 116 H HA -0.113 4.444 4.556 0.000 0.000 0.297 116 H C 2.352 177.694 175.328 0.023 0.000 1.080 116 H CA 2.861 58.926 56.048 0.030 0.000 1.278 116 H CB -0.063 29.713 29.762 0.024 0.000 1.365 116 H HN 0.170 nan 8.280 nan 0.000 0.489 117 S N -0.715 115.093 115.700 0.180 0.000 2.447 117 S HA -0.089 4.381 4.470 0.000 0.000 0.233 117 S C 2.211 176.832 174.600 0.036 0.000 1.006 117 S CA 0.925 59.188 58.200 0.105 0.000 0.957 117 S CB -0.523 62.729 63.200 0.087 0.000 0.773 117 S HN 0.213 nan 8.310 nan 0.000 0.507 118 V N 2.715 122.632 119.914 0.006 0.000 2.229 118 V HA -0.103 4.017 4.120 0.000 0.000 0.243 118 V C 2.781 178.880 176.094 0.008 0.000 1.042 118 V CA 1.963 64.241 62.300 -0.036 0.000 1.000 118 V CB -0.661 31.070 31.823 -0.153 0.000 0.637 118 V HN 0.464 nan 8.190 nan 0.000 0.446 119 R N -0.550 119.966 120.500 0.026 0.000 2.285 119 R HA -0.065 4.275 4.340 0.000 0.000 0.213 119 R C 2.381 178.683 176.300 0.004 0.000 1.068 119 R CA 0.647 56.782 56.100 0.058 0.000 1.004 119 R CB -0.280 30.056 30.300 0.061 0.000 0.873 119 R HN 0.482 nan 8.270 nan 0.000 0.467 120 R N 0.725 121.212 120.500 -0.022 0.000 2.082 120 R HA -0.097 4.243 4.340 0.000 0.000 0.228 120 R C 2.393 178.708 176.300 0.026 0.000 1.140 120 R CA 1.655 57.745 56.100 -0.017 0.000 0.920 120 R CB -0.476 29.826 30.300 0.005 0.000 0.828 120 R HN 0.192 nan 8.270 nan 0.000 0.430 121 A N 1.290 124.134 122.820 0.040 0.000 1.908 121 A HA -0.171 4.149 4.320 0.000 0.000 0.218 121 A C 2.250 179.877 177.584 0.071 0.000 1.181 121 A CA 1.374 53.444 52.037 0.055 0.000 0.627 121 A CB -0.764 18.269 19.000 0.056 0.000 0.818 121 A HN 0.255 nan 8.150 nan 0.000 0.445 122 L N -0.529 120.741 121.223 0.079 0.000 2.081 122 L HA -0.258 4.082 4.340 0.000 0.000 0.212 122 L C 2.114 179.051 176.870 0.112 0.000 1.080 122 L CA 1.603 56.505 54.840 0.105 0.000 0.754 122 L CB -0.744 41.387 42.059 0.119 0.000 0.893 122 L HN 0.366 nan 8.230 nan 0.000 0.433 123 D N -0.029 120.417 120.400 0.077 0.000 2.084 123 D HA -0.119 4.521 4.640 0.000 0.000 0.199 123 D C 2.209 178.577 176.300 0.114 0.000 0.981 123 D CA 1.070 55.120 54.000 0.083 0.000 0.841 123 D CB -0.258 40.562 40.800 0.033 0.000 0.997 123 D HN 0.161 nan 8.370 nan 0.000 0.454 124 R N 0.543 121.090 120.500 0.078 0.000 2.303 124 R HA -0.028 4.312 4.340 0.000 0.000 0.225 124 R C 1.743 178.088 176.300 0.075 0.000 1.114 124 R CA 0.836 56.978 56.100 0.070 0.000 1.007 124 R CB -0.061 30.271 30.300 0.053 0.000 0.861 124 R HN 0.127 nan 8.270 nan 0.000 0.471 125 A N 0.068 122.946 122.820 0.097 0.000 1.881 125 A HA -0.107 4.213 4.320 0.000 0.000 0.210 125 A C 1.801 179.445 177.584 0.100 0.000 1.239 125 A CA 0.204 52.295 52.037 0.090 0.000 0.629 125 A CB -0.767 18.291 19.000 0.097 0.000 0.906 125 A HN 0.358 nan 8.150 nan 0.000 0.460 126 Y N 1.139 121.452 120.300 0.022 0.000 2.173 126 Y HA -0.299 4.252 4.550 0.001 0.000 0.282 126 Y C 1.866 177.773 175.900 0.011 0.000 1.192 126 Y CA 2.023 60.132 58.100 0.015 0.000 1.176 126 Y CB -0.348 38.119 38.460 0.012 0.000 0.969 126 Y HN 0.245 nan 8.280 nan 0.000 0.519 127 L N -0.099 121.171 121.223 0.078 0.000 1.970 127 L HA -0.300 4.040 4.340 0.000 0.000 0.212 127 L C 2.671 179.480 176.870 -0.102 0.000 1.071 127 L CA 2.020 56.852 54.840 -0.012 0.000 0.751 127 L CB -0.634 41.461 42.059 0.061 0.000 0.889 127 L HN 0.185 nan 8.230 nan 0.000 0.432 128 R N -0.535 119.936 120.500 -0.050 0.000 2.119 128 R HA -0.186 4.154 4.340 0.000 0.000 0.246 128 R C 2.106 178.350 176.300 -0.094 0.000 1.146 128 R CA 1.598 57.668 56.100 -0.050 0.000 0.962 128 R CB -0.941 29.350 30.300 -0.015 0.000 0.863 128 R HN 0.211 nan 8.270 nan 0.000 0.442 129 V N 2.129 121.957 119.914 -0.144 0.000 2.215 129 V HA -0.317 3.803 4.120 0.000 0.000 0.246 129 V C 2.433 178.407 176.094 -0.200 0.000 1.047 129 V CA 2.384 64.582 62.300 -0.170 0.000 0.999 129 V CB -0.814 30.878 31.823 -0.219 0.000 0.635 129 V HN 0.538 nan 8.190 nan 0.000 0.450 130 E N 0.775 120.774 120.200 -0.335 0.000 2.331 130 E HA -0.294 4.056 4.350 0.000 0.000 0.199 130 E C 1.873 178.387 176.600 -0.144 0.000 1.008 130 E CA 1.586 57.836 56.400 -0.250 0.000 0.843 130 E CB -0.505 28.997 29.700 -0.330 0.000 0.761 130 E HN 0.623 nan 8.360 nan 0.000 0.507 131 N N 1.169 119.791 118.700 -0.129 0.000 2.106 131 N HA -0.219 4.521 4.740 0.000 0.000 0.188 131 N C 2.247 177.724 175.510 -0.054 0.000 1.029 131 N CA 2.635 55.642 53.050 -0.072 0.000 0.848 131 N CB -0.551 37.904 38.487 -0.054 0.000 1.007 131 N HN 0.442 nan 8.380 nan 0.000 0.423 132 Q N 0.706 120.472 119.800 -0.057 0.000 2.297 132 Q HA 0.039 4.379 4.340 0.000 0.000 0.204 132 Q C 2.176 178.152 176.000 -0.041 0.000 0.962 132 Q CA 1.212 56.991 55.803 -0.040 0.000 0.879 132 Q CB -0.663 28.054 28.738 -0.034 0.000 0.947 132 Q HN 0.498 nan 8.270 nan 0.000 0.462 133 R N -1.564 118.902 120.500 -0.057 0.000 2.119 133 R HA 0.002 4.342 4.340 0.000 0.000 0.222 133 R C 2.589 178.866 176.300 -0.039 0.000 1.088 133 R CA 1.339 57.409 56.100 -0.050 0.000 0.984 133 R CB -0.480 29.780 30.300 -0.066 0.000 0.884 133 R HN 0.745 nan 8.270 nan 0.000 0.447 134 Y N 1.595 121.870 120.300 -0.042 0.000 2.184 134 Y HA -0.099 4.451 4.550 0.000 0.000 0.290 134 Y C 2.414 178.302 175.900 -0.020 0.000 1.129 134 Y CA 1.430 59.513 58.100 -0.028 0.000 1.144 134 Y CB -0.674 37.769 38.460 -0.028 0.000 0.995 134 Y HN 0.071 nan 8.280 nan 0.000 0.513 135 R N 0.210 120.697 120.500 -0.021 0.000 2.096 135 R HA -0.170 4.171 4.340 0.000 0.000 0.240 135 R C 1.845 178.138 176.300 -0.013 0.000 1.139 135 R CA 1.770 57.861 56.100 -0.015 0.000 0.952 135 R CB -0.562 29.730 30.300 -0.015 0.000 0.854 135 R HN 0.581 nan 8.270 nan 0.000 0.436 136 D N 0.486 120.877 120.400 -0.016 0.000 2.084 136 D HA -0.109 4.531 4.640 0.000 0.000 0.196 136 D C 1.413 177.706 176.300 -0.011 0.000 0.985 136 D CA 1.313 55.305 54.000 -0.013 0.000 0.826 136 D CB -0.067 40.724 40.800 -0.015 0.000 0.978 136 D HN 0.172 nan 8.370 nan 0.000 0.456 137 K N -0.129 120.263 120.400 -0.013 0.000 2.525 137 K HA 0.011 4.331 4.320 0.000 0.000 0.192 137 K C 1.402 177.997 176.600 -0.008 0.000 1.029 137 K CA -0.035 56.245 56.287 -0.011 0.000 1.029 137 K CB 0.383 32.876 32.500 -0.012 0.000 0.814 137 K HN 0.036 nan 8.250 nan 0.000 0.503 138 L N 1.018 122.237 121.223 -0.008 0.000 2.349 138 L HA -0.013 4.328 4.340 0.000 0.000 0.200 138 L C 2.109 178.977 176.870 -0.003 0.000 1.064 138 L CA 1.271 56.108 54.840 -0.005 0.000 0.821 138 L CB 0.011 42.066 42.059 -0.006 0.000 1.027 138 L HN 0.140 nan 8.230 nan 0.000 0.476 139 E N -0.364 119.833 120.200 -0.004 0.000 2.204 139 E HA -0.132 4.218 4.350 0.000 0.000 0.194 139 E C 1.746 178.345 176.600 -0.002 0.000 0.989 139 E CA 1.119 57.517 56.400 -0.003 0.000 0.824 139 E CB -0.307 29.391 29.700 -0.003 0.000 0.756 139 E HN 0.447 nan 8.360 nan 0.000 0.477 140 A N 1.682 124.500 122.820 -0.003 0.000 1.903 140 A HA 0.293 4.613 4.320 0.000 0.000 0.213 140 A C 2.410 179.993 177.584 -0.002 0.000 1.185 140 A CA 0.926 52.962 52.037 -0.003 0.000 0.628 140 A CB -0.421 18.577 19.000 -0.004 0.000 0.830 140 A HN 0.358 nan 8.150 nan 0.000 0.446 141 A N -0.299 122.520 122.820 -0.002 0.000 2.216 141 A HA -0.065 4.255 4.320 0.000 0.000 0.214 141 A C 1.740 179.324 177.584 0.000 0.000 1.160 141 A CA 1.636 53.672 52.037 -0.001 0.000 0.725 141 A CB -0.546 18.453 19.000 -0.001 0.000 0.784 141 A HN 0.538 nan 8.150 nan 0.000 0.472 142 N N 0.311 119.011 118.700 0.000 0.000 2.499 142 N HA -0.068 4.672 4.740 0.000 0.000 0.182 142 N C 1.857 177.368 175.510 0.002 0.000 1.034 142 N CA 1.055 54.105 53.050 0.002 0.000 0.882 142 N CB -0.237 38.251 38.487 0.002 0.000 1.125 142 N HN 0.587 nan 8.380 nan 0.000 0.436 143 R N 0.519 121.020 120.500 0.001 0.000 2.148 143 R HA 0.055 4.395 4.340 0.000 0.000 0.227 143 R C 0.896 177.197 176.300 0.002 0.000 1.103 143 R CA 1.280 57.381 56.100 0.001 0.000 0.983 143 R CB -0.396 29.904 30.300 0.001 0.000 0.874 143 R HN 0.263 nan 8.270 nan 0.000 0.451 144 E N 0.528 120.728 120.200 0.001 0.000 2.478 144 E HA -0.027 4.323 4.350 0.000 0.000 0.194 144 E C 1.488 178.089 176.600 0.002 0.000 1.045 144 E CA 0.017 56.418 56.400 0.001 0.000 0.868 144 E CB 0.214 29.914 29.700 0.001 0.000 0.885 144 E HN 0.180 nan 8.360 nan 0.000 0.505 145 L N 0.924 122.149 121.223 0.003 0.000 2.071 145 L HA -0.078 4.262 4.340 0.000 0.000 0.201 145 L C 2.346 179.219 176.870 0.005 0.000 1.076 145 L CA 1.787 56.629 54.840 0.004 0.000 0.755 145 L CB -0.385 41.677 42.059 0.004 0.000 0.915 145 L HN -0.033 nan 8.230 nan 0.000 0.445 146 Q N -0.566 119.237 119.800 0.005 0.000 2.234 146 Q HA -0.184 4.156 4.340 0.000 0.000 0.206 146 Q C 1.891 177.895 176.000 0.005 0.000 0.980 146 Q CA 1.490 57.296 55.803 0.005 0.000 0.869 146 Q CB -0.143 28.598 28.738 0.005 0.000 0.912 146 Q HN 0.637 nan 8.270 nan 0.000 0.436 147 A N 0.152 122.974 122.820 0.004 0.000 2.172 147 A HA -0.091 4.229 4.320 0.000 0.000 0.216 147 A C 1.897 179.483 177.584 0.004 0.000 1.154 147 A CA 1.335 53.374 52.037 0.004 0.000 0.701 147 A CB -0.183 18.819 19.000 0.003 0.000 0.789 147 A HN 0.484 nan 8.150 nan 0.000 0.465 148 S N -1.769 113.934 115.700 0.005 0.000 2.539 148 S HA 0.359 4.829 4.470 0.000 0.000 0.221 148 S C 1.154 175.758 174.600 0.007 0.000 0.987 148 S CA 0.090 58.293 58.200 0.005 0.000 0.929 148 S CB -0.174 63.029 63.200 0.005 0.000 0.832 148 S HN 0.358 nan 8.310 nan 0.000 0.492 149 L N 0.414 121.642 121.223 0.007 0.000 2.500 149 L HA 0.377 4.717 4.340 0.000 0.000 0.219 149 L C 1.526 178.402 176.870 0.009 0.000 1.057 149 L CA 0.120 54.966 54.840 0.009 0.000 0.854 149 L CB -0.308 41.756 42.059 0.009 0.000 1.078 149 L HN 0.139 nan 8.230 nan 0.000 0.480 150 N N 0.557 119.262 118.700 0.008 0.000 2.512 150 N HA -0.093 4.647 4.740 0.000 0.000 0.183 150 N C 1.694 177.208 175.510 0.007 0.000 1.073 150 N CA 0.646 53.701 53.050 0.007 0.000 0.911 150 N CB -0.023 38.467 38.487 0.006 0.000 0.964 150 N HN 0.260 nan 8.380 nan 0.000 0.447 151 L N -0.239 120.988 121.223 0.007 0.000 2.109 151 L HA 0.006 4.346 4.340 0.000 0.000 0.207 151 L C 1.424 178.299 176.870 0.008 0.000 1.086 151 L CA 1.025 55.868 54.840 0.006 0.000 0.760 151 L CB 0.069 42.132 42.059 0.006 0.000 0.910 151 L HN 0.113 nan 8.230 nan 0.000 0.437 152 L N -0.845 120.384 121.223 0.010 0.000 2.202 152 L HA -0.047 4.293 4.340 0.000 0.000 0.205 152 L C 3.117 179.994 176.870 0.013 0.000 1.083 152 L CA 0.878 55.726 54.840 0.013 0.000 0.790 152 L CB -1.055 41.014 42.059 0.016 0.000 0.942 152 L HN 0.293 nan 8.230 nan 0.000 0.452 153 Q N 0.780 120.587 119.800 0.012 0.000 2.291 153 Q HA -0.164 4.177 4.340 0.000 0.000 0.206 153 Q C 2.036 178.042 176.000 0.009 0.000 0.976 153 Q CA 1.889 57.699 55.803 0.012 0.000 0.875 153 Q CB -1.057 27.687 28.738 0.011 0.000 0.927 153 Q HN 0.697 nan 8.270 nan 0.000 0.450 154 E N 0.328 120.532 120.200 0.007 0.000 2.364 154 E HA -0.004 4.346 4.350 0.000 0.000 0.196 154 E C 1.631 178.233 176.600 0.003 0.000 0.990 154 E CA 0.696 57.099 56.400 0.005 0.000 0.886 154 E CB -0.062 29.640 29.700 0.004 0.000 0.866 154 E HN 0.636 nan 8.360 nan 0.000 0.493 155 D N -0.059 120.343 120.400 0.004 0.000 2.224 155 D HA -0.124 4.516 4.640 0.000 0.000 0.205 155 D C 1.949 178.249 176.300 -0.002 0.000 0.965 155 D CA 0.797 54.798 54.000 0.001 0.000 0.852 155 D CB 0.136 40.938 40.800 0.004 0.000 0.947 155 D HN 0.311 nan 8.370 nan 0.000 0.494 156 Q N 0.177 119.980 119.800 0.004 0.000 2.049 156 Q HA -0.052 4.288 4.340 0.000 0.000 0.198 156 Q C 1.780 177.781 176.000 0.002 0.000 0.971 156 Q CA 0.793 56.599 55.803 0.005 0.000 0.833 156 Q CB -0.431 28.316 28.738 0.014 0.000 0.896 156 Q HN 0.348 nan 8.270 nan 0.000 0.434 157 N N 0.916 119.618 118.700 0.004 0.000 2.443 157 N HA -0.089 4.651 4.740 0.000 0.000 0.184 157 N C 1.366 176.875 175.510 -0.001 0.000 1.037 157 N CA 1.048 54.100 53.050 0.003 0.000 0.896 157 N CB -0.095 38.395 38.487 0.005 0.000 0.959 157 N HN 0.222 nan 8.380 nan 0.000 0.442 158 A N -0.244 122.573 122.820 -0.006 0.000 2.169 158 A HA 0.253 4.573 4.320 0.000 0.000 0.212 158 A C 1.975 179.547 177.584 -0.021 0.000 1.153 158 A CA 1.037 53.068 52.037 -0.011 0.000 0.756 158 A CB -0.175 18.817 19.000 -0.012 0.000 0.813 158 A HN 0.301 nan 8.150 nan 0.000 0.471 159 G N -1.344 107.442 108.800 -0.024 0.000 3.192 159 G HA2 0.157 4.117 3.960 0.000 0.000 0.239 159 G HA3 0.157 4.117 3.960 0.000 0.000 0.239 159 G C 1.342 176.228 174.900 -0.023 0.000 1.084 159 G CA 0.439 45.515 45.100 -0.041 0.000 0.784 159 G HN 0.435 nan 8.290 nan 0.000 0.540 160 R N -0.546 119.951 120.500 -0.006 0.000 2.074 160 R HA 0.117 4.457 4.340 0.000 0.000 0.218 160 R C 2.794 179.102 176.300 0.013 0.000 1.137 160 R CA 1.447 57.552 56.100 0.009 0.000 0.998 160 R CB -0.334 29.973 30.300 0.012 0.000 0.895 160 R HN 0.261 nan 8.270 nan 0.000 0.442 161 Q N 0.549 120.354 119.800 0.008 0.000 2.364 161 Q HA -0.024 4.317 4.340 0.000 0.000 0.209 161 Q C 1.906 177.913 176.000 0.011 0.000 0.977 161 Q CA 1.541 57.350 55.803 0.010 0.000 0.885 161 Q CB -0.807 27.935 28.738 0.006 0.000 0.941 161 Q HN 0.300 nan 8.270 nan 0.000 0.464 162 V N -0.097 119.820 119.914 0.005 0.000 2.809 162 V HA -0.081 4.040 4.120 0.000 0.000 0.256 162 V C 1.069 177.177 176.094 0.024 0.000 1.080 162 V CA 1.094 63.396 62.300 0.004 0.000 1.102 162 V CB 0.017 31.830 31.823 -0.016 0.000 0.705 162 V HN 0.778 nan 8.190 nan 0.000 0.475 168 P HA 0.382 nan 4.420 nan 0.000 0.271 168 P C -0.482 176.813 177.300 -0.007 0.000 1.238 168 P CA -0.436 62.540 63.100 -0.207 0.000 0.794 168 P CB 0.441 31.808 31.700 -0.554 0.000 0.959 169 V N -2.221 117.676 119.914 -0.028 0.000 2.863 169 V HA 0.751 4.871 4.120 0.000 0.000 0.307 169 V C 0.069 176.199 176.094 0.060 0.000 1.061 169 V CA -0.436 61.866 62.300 0.004 0.000 1.024 169 V CB 1.055 32.865 31.823 -0.021 0.000 1.049 169 V HN 0.748 nan 8.190 nan 0.000 0.471 170 T N 0.312 114.844 114.554 -0.037 0.000 2.893 170 T HA 0.793 5.143 4.350 0.000 0.000 0.291 170 T C -2.872 171.832 174.700 0.006 0.000 1.028 170 T CA -1.411 60.667 62.100 -0.037 0.000 0.995 170 T CB 1.356 70.064 68.868 -0.267 0.000 1.051 170 T HN 0.783 nan 8.240 nan 0.000 0.470 171 P HA 0.316 nan 4.420 nan 0.000 0.284 171 P C -1.516 175.897 177.300 0.187 0.000 1.432 171 P CA -0.402 62.739 63.100 0.067 0.000 0.929 171 P CB 0.069 31.773 31.700 0.006 0.000 1.158 172 W N 4.186 125.538 121.300 0.088 0.000 2.605 172 W HA 0.482 5.142 4.660 0.001 0.000 0.327 172 W C -0.397 176.204 176.519 0.136 0.000 1.332 172 W CA -0.459 56.959 57.345 0.121 0.000 1.403 172 W CB -0.415 29.160 29.460 0.193 0.000 1.452 172 W HN 0.450 nan 8.180 nan 0.000 0.503 173 S N 6.523 122.195 115.700 -0.047 0.000 2.437 173 S HA 0.719 5.189 4.470 0.000 0.000 0.305 173 S C -0.954 173.474 174.600 -0.287 0.000 1.109 173 S CA -0.784 57.304 58.200 -0.186 0.000 1.099 173 S CB 0.331 63.496 63.200 -0.058 0.000 1.004 173 S HN 0.538 nan 8.310 nan 0.000 0.475 174 I N -0.577 119.778 120.570 -0.358 0.000 2.534 174 I HA 0.655 4.825 4.170 0.000 0.000 0.288 174 I C 0.313 176.356 176.117 -0.122 0.000 1.077 174 I CA -0.641 60.510 61.300 -0.249 0.000 1.051 174 I CB 1.683 39.439 38.000 -0.408 0.000 1.234 174 I HN 0.575 nan 8.210 nan 0.000 0.425 175 E N 3.820 123.986 120.200 -0.057 0.000 3.680 175 E HA -0.271 4.079 4.350 0.000 0.000 0.309 175 E C 1.116 177.691 176.600 -0.041 0.000 0.793 175 E CA 1.733 58.112 56.400 -0.035 0.000 1.083 175 E CB -1.479 28.204 29.700 -0.029 0.000 1.548 175 E HN 1.566 nan 8.360 nan 0.000 0.456 176 G N -0.413 108.353 108.800 -0.057 0.000 2.296 176 G HA2 -0.205 3.755 3.960 0.000 0.000 0.188 176 G HA3 -0.205 3.755 3.960 0.000 0.000 0.188 176 G C 0.107 174.955 174.900 -0.087 0.000 1.000 176 G CA 0.021 45.086 45.100 -0.058 0.000 0.672 176 G HN 0.120 nan 8.290 nan 0.000 0.483 177 L N 1.814 122.974 121.223 -0.104 0.000 2.265 177 L HA 0.476 4.816 4.340 0.000 0.000 0.288 177 L C 0.463 177.218 176.870 -0.191 0.000 1.058 177 L CA -0.377 54.356 54.840 -0.177 0.000 0.809 177 L CB 1.525 43.508 42.059 -0.127 0.000 1.179 177 L HN 0.285 nan 8.230 nan 0.000 0.429 178 E N 4.622 124.662 120.200 -0.266 0.000 1.986 178 E HA 0.160 4.510 4.350 0.000 0.000 0.264 178 E C -0.846 175.568 176.600 -0.309 0.000 1.023 178 E CA -0.667 55.612 56.400 -0.203 0.000 0.834 178 E CB 0.321 29.929 29.700 -0.154 0.000 1.111 178 E HN 0.395 nan 8.360 nan 0.000 0.417 179 F N 2.927 122.644 119.950 -0.389 0.000 2.679 179 F HA 0.089 4.616 4.527 0.000 0.000 0.351 179 F C 0.474 176.053 175.800 -0.369 0.000 1.279 179 F CA -0.137 57.519 58.000 -0.572 0.000 1.227 179 F CB 0.297 38.669 39.000 -1.048 0.000 1.623 179 F HN 0.182 nan 8.300 nan 0.000 0.666 180 S N 2.267 117.871 115.700 -0.160 0.000 2.646 180 S HA 0.484 4.954 4.470 0.000 0.000 0.276 180 S C -0.308 174.280 174.600 -0.020 0.000 1.222 180 S CA -0.641 57.502 58.200 -0.094 0.000 1.014 180 S CB 1.030 64.165 63.200 -0.110 0.000 0.991 180 S HN 0.673 nan 8.310 nan 0.000 0.533 181 H N -0.385 118.711 119.070 0.044 0.000 2.948 181 H HA 0.753 5.309 4.556 -0.000 0.000 0.315 181 H C -1.299 174.038 175.328 0.015 0.000 1.360 181 H CA -1.169 54.890 56.048 0.019 0.000 1.125 181 H CB 1.387 31.195 29.762 0.076 0.000 1.844 181 H HN 0.542 nan 8.280 nan 0.000 0.529 182 R N 1.796 122.436 120.500 0.232 0.000 3.090 182 R HA 0.356 4.696 4.340 0.000 0.000 0.279 182 R C -2.126 174.241 176.300 0.112 0.000 1.462 182 R CA -0.203 55.983 56.100 0.144 0.000 1.044 182 R CB -0.212 30.130 30.300 0.070 0.000 1.365 182 R HN 0.707 nan 8.270 nan 0.000 0.399 183 I N 5.315 125.951 120.570 0.110 0.000 2.385 183 I HA 0.442 4.612 4.170 0.000 0.000 0.294 183 I C 0.214 176.362 176.117 0.052 0.000 0.988 183 I CA -0.888 60.445 61.300 0.055 0.000 1.265 183 I CB 1.579 39.586 38.000 0.013 0.000 1.388 183 I HN 0.558 nan 8.210 nan 0.000 0.480 184 I N 7.240 127.838 120.570 0.045 0.000 2.750 184 I HA 0.270 4.440 4.170 0.000 0.000 0.279 184 I C -2.351 173.782 176.117 0.027 0.000 1.206 184 I CA -1.663 59.660 61.300 0.038 0.000 1.101 184 I CB 0.631 38.657 38.000 0.043 0.000 1.431 184 I HN 0.240 nan 8.210 nan 0.000 0.551 185 P HA 0.045 nan 4.420 nan 0.000 0.268 185 P C 0.938 178.236 177.300 -0.004 0.000 1.208 185 P CA 0.130 63.241 63.100 0.018 0.000 0.777 185 P CB 0.836 32.555 31.700 0.031 0.000 0.875 186 S N 0.679 116.356 115.700 -0.040 0.000 2.356 186 S HA 0.069 4.539 4.470 0.000 0.000 0.219 186 S C 0.995 175.571 174.600 -0.040 0.000 1.036 186 S CA 0.838 58.993 58.200 -0.075 0.000 0.965 186 S CB -0.978 62.099 63.200 -0.203 0.000 0.864 186 S HN 0.426 nan 8.310 nan 0.000 0.471 187 L N 0.535 121.749 121.223 -0.016 0.000 2.417 187 L HA 0.735 5.075 4.340 0.000 0.000 0.259 187 L C 0.818 177.713 176.870 0.041 0.000 1.023 187 L CA -1.038 53.818 54.840 0.027 0.000 0.901 187 L CB -1.455 40.643 42.059 0.065 0.000 1.227 187 L HN 1.250 nan 8.230 nan 0.000 0.454 188 Y N 0.336 120.654 120.300 0.029 0.000 2.819 188 Y HA -0.027 4.523 4.550 0.000 0.000 0.471 188 Y C 1.699 177.619 175.900 0.034 0.000 1.144 188 Y CA 2.175 60.292 58.100 0.028 0.000 2.720 188 Y CB -1.651 36.825 38.460 0.026 0.000 1.169 188 Y HN 2.507 nan 8.280 nan 0.000 0.619 189 L N 2.463 123.708 121.223 0.037 0.000 2.331 189 L HA 0.736 5.076 4.340 0.000 0.000 0.278 189 L C 0.647 177.558 176.870 0.068 0.000 1.106 189 L CA -0.200 54.666 54.840 0.044 0.000 0.824 189 L CB 0.398 42.468 42.059 0.019 0.000 1.142 189 L HN 2.313 nan 8.230 nan 0.000 0.443 190 S N 1.571 117.319 115.700 0.081 0.000 2.654 190 S HA 0.627 5.097 4.470 0.000 0.000 0.283 190 S C 1.144 175.819 174.600 0.125 0.000 1.180 190 S CA 0.066 58.327 58.200 0.101 0.000 1.021 190 S CB 1.359 64.609 63.200 0.084 0.000 1.018 190 S HN 1.557 nan 8.310 nan 0.000 0.532 191 G N -0.004 108.881 108.800 0.141 0.000 2.848 191 G HA2 0.133 4.093 3.960 0.000 0.000 0.208 191 G HA3 0.133 4.093 3.960 0.000 0.000 0.208 191 G C -0.402 174.593 174.900 0.158 0.000 1.152 191 G CA -0.082 45.102 45.100 0.139 0.000 0.789 191 G HN 0.684 nan 8.290 nan 0.000 0.531 192 D N -0.412 120.082 120.400 0.156 0.000 2.210 192 D HA 0.522 5.162 4.640 0.000 0.000 0.249 192 D C -1.102 175.327 176.300 0.214 0.000 1.078 192 D CA -0.224 53.873 54.000 0.162 0.000 0.875 192 D CB 1.789 42.653 40.800 0.107 0.000 1.175 192 D HN 0.045 nan 8.370 nan 0.000 0.440 193 F N 1.956 121.933 119.950 0.045 0.000 2.574 193 F HA 0.455 4.982 4.527 -0.000 0.000 0.313 193 F C -1.581 174.174 175.800 -0.075 0.000 1.130 193 F CA -0.900 57.105 58.000 0.008 0.000 0.936 193 F CB 1.479 40.527 39.000 0.080 0.000 1.219 193 F HN 0.118 nan 8.300 nan 0.000 0.445 194 V N 5.507 124.893 119.914 -0.880 0.000 2.531 194 V HA 0.692 4.812 4.120 0.000 0.000 0.301 194 V C -1.960 173.497 176.094 -1.061 0.000 1.034 194 V CA -0.012 61.816 62.300 -0.787 0.000 0.865 194 V CB 1.721 33.212 31.823 -0.553 0.000 0.995 194 V HN 0.848 nan 8.190 nan 0.000 0.424 195 D N 4.739 124.586 120.400 -0.921 0.000 2.859 195 D HA 0.578 5.219 4.640 0.000 0.000 0.223 195 D C -1.684 174.457 176.300 -0.266 0.000 1.218 195 D CA -0.143 53.499 54.000 -0.597 0.000 0.850 195 D CB 1.938 42.676 40.800 -0.103 0.000 1.656 195 D HN 0.631 nan 8.370 nan 0.000 0.484 196 Y N 1.316 121.622 120.300 0.010 0.000 2.330 196 Y HA 0.624 5.174 4.550 0.000 0.000 0.324 196 Y C -1.379 174.598 175.900 0.129 0.000 1.093 196 Y CA -1.490 56.615 58.100 0.008 0.000 1.103 196 Y CB 0.394 38.879 38.460 0.041 0.000 1.183 196 Y HN 0.200 nan 8.280 nan 0.000 0.433 197 F N -0.322 119.794 119.950 0.277 0.000 2.561 197 F HA 1.051 5.578 4.527 0.000 0.000 0.321 197 F C 0.069 176.011 175.800 0.238 0.000 1.065 197 F CA -1.621 56.510 58.000 0.217 0.000 0.934 197 F CB 0.901 39.963 39.000 0.104 0.000 1.215 197 F HN 0.772 nan 8.300 nan 0.000 0.471 198 R N 0.232 121.037 120.500 0.508 0.000 2.543 198 R HA 0.822 5.162 4.340 0.000 0.000 0.268 198 R C -1.404 175.104 176.300 0.346 0.000 1.067 198 R CA -0.421 55.893 56.100 0.356 0.000 1.142 198 R CB 0.971 31.484 30.300 0.355 0.000 1.110 198 R HN 0.810 nan 8.270 nan 0.000 0.549 199 V N 2.460 122.515 119.914 0.235 0.000 2.398 199 V HA 0.225 4.345 4.120 0.000 0.000 0.282 199 V C -0.437 175.729 176.094 0.120 0.000 1.014 199 V CA 0.177 62.589 62.300 0.188 0.000 0.838 199 V CB 0.779 32.718 31.823 0.193 0.000 1.018 199 V HN 1.208 nan 8.190 nan 0.000 0.432 200 D N 2.517 122.975 120.400 0.097 0.000 2.860 200 D HA -0.322 4.318 4.640 0.000 0.000 0.229 200 D C 0.555 176.898 176.300 0.071 0.000 1.169 200 D CA 1.622 55.665 54.000 0.070 0.000 0.737 200 D CB -1.467 39.363 40.800 0.051 0.000 1.080 200 D HN 0.881 nan 8.370 nan 0.000 0.424 201 E N -4.141 116.113 120.200 0.091 0.000 4.851 201 E HA -0.417 3.933 4.350 0.000 0.000 0.236 201 E C 1.747 178.385 176.600 0.063 0.000 0.875 201 E CA 2.219 58.668 56.400 0.080 0.000 1.939 201 E CB -1.625 28.115 29.700 0.066 0.000 1.780 201 E HN 0.713 nan 8.360 nan 0.000 0.453 202 R N 1.565 122.100 120.500 0.058 0.000 2.193 202 R HA 0.166 4.506 4.340 0.000 0.000 0.213 202 R C 1.272 177.602 176.300 0.051 0.000 1.055 202 R CA 1.723 57.851 56.100 0.046 0.000 0.995 202 R CB -0.313 30.011 30.300 0.039 0.000 0.893 202 R HN 0.182 nan 8.270 nan 0.000 0.459 203 R N -1.158 119.383 120.500 0.068 0.000 2.673 203 R HA 0.624 4.965 4.340 0.000 0.000 0.281 203 R C -1.637 174.718 176.300 0.093 0.000 0.991 203 R CA -0.817 55.329 56.100 0.076 0.000 0.896 203 R CB 2.823 33.169 30.300 0.076 0.000 1.201 203 R HN 0.078 nan 8.270 nan 0.000 0.457 204 V N 1.480 121.450 119.914 0.093 0.000 2.555 204 V HA 0.810 4.930 4.120 0.000 0.000 0.302 204 V C -0.364 175.810 176.094 0.135 0.000 1.038 204 V CA -0.720 61.631 62.300 0.086 0.000 0.887 204 V CB 1.731 33.586 31.823 0.053 0.000 0.991 204 V HN 0.950 nan 8.190 nan 0.000 0.434 205 A N 4.148 126.993 122.820 0.041 0.000 2.386 205 A HA 1.107 5.427 4.320 0.000 0.000 0.308 205 A C -1.089 176.589 177.584 0.156 0.000 1.128 205 A CA -0.535 51.509 52.037 0.012 0.000 0.789 205 A CB 1.882 20.707 19.000 -0.292 0.000 1.325 205 A HN 1.430 nan 8.150 nan 0.000 0.437 206 F N -2.094 117.860 119.950 0.007 0.000 2.770 206 F HA 0.769 5.296 4.527 -0.000 0.000 0.313 206 F C -1.248 174.733 175.800 0.300 0.000 1.154 206 F CA -1.350 56.741 58.000 0.152 0.000 0.923 206 F CB 0.640 39.792 39.000 0.253 0.000 1.301 206 F HN 1.203 nan 8.300 nan 0.000 0.449 207 Y N 0.558 120.963 120.300 0.175 0.000 2.774 207 Y HA 0.787 5.337 4.550 0.000 0.000 0.346 207 Y C -2.653 173.344 175.900 0.162 0.000 1.222 207 Y CA -1.753 56.386 58.100 0.065 0.000 1.088 207 Y CB 1.329 39.800 38.460 0.018 0.000 1.354 207 Y HN 1.075 nan 8.280 nan 0.000 0.455 208 L N 2.282 123.656 121.223 0.252 0.000 2.528 208 L HA 0.975 5.315 4.340 0.000 0.000 0.267 208 L C -1.420 175.602 176.870 0.253 0.000 0.961 208 L CA -0.714 54.218 54.840 0.152 0.000 0.866 208 L CB 1.473 43.585 42.059 0.089 0.000 1.248 208 L HN 1.204 nan 8.230 nan 0.000 0.404 209 A N 3.007 126.000 122.820 0.289 0.000 2.356 209 A HA 0.802 5.122 4.320 0.000 0.000 0.323 209 A C -1.433 176.281 177.584 0.217 0.000 1.119 209 A CA -0.452 51.754 52.037 0.282 0.000 0.790 209 A CB 1.281 20.495 19.000 0.357 0.000 1.273 209 A HN 0.655 nan 8.150 nan 0.000 0.452 210 D N 1.582 122.096 120.400 0.189 0.000 2.476 210 D HA 0.402 5.042 4.640 0.000 0.000 0.251 210 D C -0.806 175.584 176.300 0.150 0.000 1.291 210 D CA -0.142 53.956 54.000 0.164 0.000 0.939 210 D CB 1.475 42.367 40.800 0.153 0.000 1.221 210 D HN 0.216 nan 8.370 nan 0.000 0.567 211 V N 2.762 122.754 119.914 0.131 0.000 2.740 211 V HA 0.088 4.208 4.120 0.000 0.000 0.303 211 V C 1.000 177.128 176.094 0.056 0.000 1.054 211 V CA -0.449 61.901 62.300 0.084 0.000 1.106 211 V CB 0.998 32.865 31.823 0.072 0.000 0.957 211 V HN 0.733 nan 8.190 nan 0.000 0.486 212 S N 4.256 119.939 115.700 -0.028 0.000 2.946 212 S HA 0.329 4.799 4.470 0.000 0.000 0.349 212 S C 0.785 175.366 174.600 -0.032 0.000 1.189 212 S CA 0.110 58.269 58.200 -0.067 0.000 1.285 212 S CB -1.026 61.921 63.200 -0.421 0.000 1.010 212 S HN 2.151 nan 8.310 nan 0.000 0.538 213 G N 2.904 111.728 108.800 0.040 0.000 2.584 213 G HA2 -0.107 3.853 3.960 0.000 0.000 0.229 213 G HA3 -0.107 3.853 3.960 0.000 0.000 0.229 213 G C -0.332 174.624 174.900 0.093 0.000 1.320 213 G CA -0.153 44.968 45.100 0.035 0.000 0.891 213 G HN 1.784 nan 8.290 nan 0.000 0.573 214 H N -0.859 118.234 119.070 0.040 0.000 2.943 214 H HA 0.778 5.333 4.556 -0.000 0.000 0.323 214 H C 0.569 175.926 175.328 0.049 0.000 1.296 214 H CA 0.017 56.094 56.048 0.048 0.000 1.155 214 H CB 1.371 31.162 29.762 0.048 0.000 1.882 214 H HN 2.673 nan 8.280 nan 0.000 0.553 215 G N -0.774 108.154 108.800 0.214 0.000 2.447 215 G HA2 0.051 4.011 3.960 0.000 0.000 0.220 215 G HA3 0.051 4.011 3.960 0.000 0.000 0.220 215 G C 0.594 175.567 174.900 0.122 0.000 1.261 215 G CA 0.638 45.823 45.100 0.141 0.000 1.000 215 G HN 1.068 nan 8.290 nan 0.000 0.515 216 A N -0.463 122.432 122.820 0.125 0.000 1.855 216 A HA 0.181 4.501 4.320 0.000 0.000 0.215 216 A C 2.916 180.723 177.584 0.371 0.000 1.191 216 A CA 3.562 55.707 52.037 0.180 0.000 0.613 216 A CB -1.207 17.916 19.000 0.206 0.000 0.829 216 A HN 2.364 nan 8.150 nan 0.000 0.442 217 S N 0.825 116.706 115.700 0.301 0.000 2.387 217 S HA -0.222 4.248 4.470 0.000 0.000 0.230 217 S C 2.047 176.794 174.600 0.245 0.000 1.035 217 S CA 2.044 60.378 58.200 0.224 0.000 1.014 217 S CB -1.059 62.127 63.200 -0.023 0.000 0.836 217 S HN 1.014 nan 8.310 nan 0.000 0.466 218 S N 1.939 117.729 115.700 0.149 0.000 2.453 218 S HA 0.296 4.766 4.470 0.000 0.000 0.231 218 S C 1.921 176.600 174.600 0.132 0.000 1.005 218 S CA 0.496 58.759 58.200 0.106 0.000 0.949 218 S CB -0.596 62.652 63.200 0.080 0.000 0.774 218 S HN 0.781 nan 8.310 nan 0.000 0.510 219 A N 1.074 123.982 122.820 0.146 0.000 1.930 219 A HA 0.268 4.588 4.320 0.000 0.000 0.215 219 A C 1.702 179.285 177.584 -0.000 0.000 1.176 219 A CA 0.669 52.729 52.037 0.038 0.000 0.632 219 A CB -1.012 17.954 19.000 -0.056 0.000 0.819 219 A HN 0.493 nan 8.150 nan 0.000 0.445 220 F N 0.193 120.127 119.950 -0.027 0.000 2.236 220 F HA -0.196 4.331 4.527 -0.000 0.000 0.302 220 F C 2.143 177.907 175.800 -0.058 0.000 1.073 220 F CA 1.627 59.600 58.000 -0.045 0.000 1.336 220 F CB -0.409 38.563 39.000 -0.047 0.000 1.040 220 F HN 0.073 nan 8.300 nan 0.000 0.507 221 V N -0.968 119.022 119.914 0.127 0.000 2.878 221 V HA -0.147 3.973 4.120 0.000 0.000 0.250 221 V C 2.342 178.422 176.094 -0.024 0.000 1.075 221 V CA 1.647 63.974 62.300 0.045 0.000 1.096 221 V CB -1.169 30.680 31.823 0.043 0.000 0.724 221 V HN 0.484 nan 8.190 nan 0.000 0.467 222 T N -1.722 112.808 114.554 -0.041 0.000 2.929 222 T HA -0.110 4.240 4.350 0.000 0.000 0.271 222 T C 1.715 176.175 174.700 -0.399 0.000 1.085 222 T CA 1.538 63.537 62.100 -0.168 0.000 1.125 222 T CB -0.254 68.600 68.868 -0.022 0.000 0.874 222 T HN 0.260 nan 8.240 nan 0.000 0.494 223 V N 1.055 120.839 119.914 -0.216 0.000 2.379 223 V HA 0.135 4.255 4.120 0.000 0.000 0.243 223 V C 2.713 178.740 176.094 -0.112 0.000 1.035 223 V CA 0.895 63.081 62.300 -0.189 0.000 1.035 223 V CB -0.626 31.121 31.823 -0.126 0.000 0.673 223 V HN 0.400 nan 8.190 nan 0.000 0.457 224 L N -0.338 120.845 121.223 -0.067 0.000 2.189 224 L HA -0.222 4.118 4.340 0.000 0.000 0.214 224 L C 2.329 179.216 176.870 0.028 0.000 1.097 224 L CA 1.475 56.315 54.840 -0.001 0.000 0.764 224 L CB -0.420 41.632 42.059 -0.010 0.000 0.900 224 L HN 0.350 nan 8.230 nan 0.000 0.436 225 L N -0.627 120.556 121.223 -0.067 0.000 2.072 225 L HA -0.182 4.158 4.340 0.000 0.000 0.205 225 L C 2.552 179.406 176.870 -0.026 0.000 1.079 225 L CA 0.920 55.721 54.840 -0.065 0.000 0.752 225 L CB -0.420 41.592 42.059 -0.077 0.000 0.906 225 L HN 0.136 nan 8.230 nan 0.000 0.436 226 K N 0.376 120.685 120.400 -0.150 0.000 2.288 226 K HA -0.096 4.224 4.320 0.000 0.000 0.201 226 K C 0.719 177.373 176.600 0.090 0.000 1.048 226 K CA 0.555 56.846 56.287 0.007 0.000 0.956 226 K CB -0.215 32.199 32.500 -0.143 0.000 0.746 226 K HN 0.043 nan 8.250 nan 0.000 0.461 230 T N 0.612 115.021 114.554 -0.242 0.000 2.894 230 T HA 0.182 4.532 4.350 0.000 0.000 0.258 230 T C 1.948 176.422 174.700 -0.377 0.000 1.043 230 T CA 0.916 62.752 62.100 -0.440 0.000 1.141 230 T CB -0.265 68.402 68.868 -0.336 0.000 0.873 230 T HN 0.385 nan 8.240 nan 0.000 0.449 231 R N 0.787 121.040 120.500 -0.412 0.000 2.159 231 R HA 0.071 4.411 4.340 0.000 0.000 0.237 231 R C 2.317 178.462 176.300 -0.258 0.000 1.131 231 R CA 0.899 56.751 56.100 -0.414 0.000 0.982 231 R CB -0.579 29.318 30.300 -0.673 0.000 0.868 231 R HN 0.452 nan 8.270 nan 0.000 0.453 232 L N 0.463 121.556 121.223 -0.217 0.000 2.141 232 L HA -0.176 4.164 4.340 0.000 0.000 0.209 232 L C 2.280 179.065 176.870 -0.142 0.000 1.094 232 L CA 0.856 55.594 54.840 -0.169 0.000 0.763 232 L CB -0.315 41.653 42.059 -0.153 0.000 0.908 232 L HN 0.270 nan 8.230 nan 0.000 0.437 233 L N -0.997 120.121 121.223 -0.176 0.000 2.017 233 L HA -0.280 4.060 4.340 0.000 0.000 0.208 233 L C 3.182 179.985 176.870 -0.112 0.000 1.073 233 L CA 2.157 56.911 54.840 -0.144 0.000 0.745 233 L CB -1.111 40.809 42.059 -0.230 0.000 0.894 233 L HN 0.429 nan 8.230 nan 0.000 0.432 234 Y N 0.013 120.234 120.300 -0.132 0.000 2.352 234 Y HA -0.205 4.345 4.550 0.000 0.000 0.292 234 Y C 2.403 178.256 175.900 -0.078 0.000 1.136 234 Y CA 1.859 59.900 58.100 -0.099 0.000 1.227 234 Y CB -0.602 37.794 38.460 -0.107 0.000 0.991 234 Y HN 0.374 nan 8.280 nan 0.000 0.545 235 E N 0.439 120.585 120.200 -0.090 0.000 2.051 235 E HA -0.037 4.313 4.350 0.000 0.000 0.189 235 E C 0.796 177.361 176.600 -0.058 0.000 0.979 235 E CA 0.764 57.121 56.400 -0.072 0.000 0.803 235 E CB -0.069 29.579 29.700 -0.086 0.000 0.761 235 E HN 0.568 nan 8.360 nan 0.000 0.451 236 S N 0.686 116.349 115.700 -0.062 0.000 2.576 236 S HA 0.195 4.666 4.470 0.000 0.000 0.276 236 S C 0.512 175.095 174.600 -0.029 0.000 1.339 236 S CA -0.445 57.728 58.200 -0.044 0.000 1.039 236 S CB 1.007 64.182 63.200 -0.040 0.000 0.902 236 S HN 0.214 nan 8.310 nan 0.000 0.516 237 R N 1.320 121.808 120.500 -0.019 0.000 2.507 237 R HA 0.237 4.577 4.340 0.000 0.000 0.298 237 R C 0.262 176.560 176.300 -0.003 0.000 0.999 237 R CA 0.002 56.095 56.100 -0.011 0.000 1.082 237 R CB -0.001 30.293 30.300 -0.010 0.000 1.246 237 R HN 0.535 nan 8.270 nan 0.000 0.553 246 K N 2.763 123.160 120.400 -0.005 0.000 2.416 246 K HA 0.318 4.638 4.320 0.000 0.000 0.283 246 K C -2.190 174.399 176.600 -0.017 0.000 1.037 246 K CA -1.327 54.955 56.287 -0.009 0.000 0.995 246 K CB 1.258 33.756 32.500 -0.003 0.000 0.938 246 K HN 0.303 nan 8.250 nan 0.000 0.475 247 P HA -0.157 nan 4.420 nan 0.000 0.223 247 P C 1.098 178.364 177.300 -0.056 0.000 1.144 247 P CA 1.103 64.178 63.100 -0.042 0.000 0.783 247 P CB 0.245 31.918 31.700 -0.046 0.000 0.771 248 S N -0.751 114.929 115.700 -0.034 0.000 2.414 248 S HA -0.087 4.383 4.470 0.000 0.000 0.227 248 S C 1.803 176.387 174.600 -0.027 0.000 1.022 248 S CA 0.648 58.836 58.200 -0.020 0.000 0.958 248 S CB -0.958 62.275 63.200 0.054 0.000 0.797 248 S HN 0.194 nan 8.310 nan 0.000 0.493 249 E N 1.052 121.247 120.200 -0.007 0.000 2.204 249 E HA -0.061 4.289 4.350 0.000 0.000 0.195 249 E C 1.958 178.552 176.600 -0.010 0.000 0.990 249 E CA 1.056 57.460 56.400 0.007 0.000 0.821 249 E CB -0.365 29.337 29.700 0.003 0.000 0.750 249 E HN 0.409 nan 8.360 nan 0.000 0.477 250 V N 1.005 120.892 119.914 -0.045 0.000 2.261 250 V HA -0.260 3.861 4.120 0.000 0.000 0.246 250 V C 2.140 178.188 176.094 -0.077 0.000 1.047 250 V CA 1.393 63.665 62.300 -0.047 0.000 1.015 250 V CB -0.377 31.402 31.823 -0.073 0.000 0.642 250 V HN 0.201 nan 8.190 nan 0.000 0.446 251 L N 0.686 121.781 121.223 -0.214 0.000 2.079 251 L HA -0.151 4.189 4.340 0.000 0.000 0.210 251 L C 2.585 179.265 176.870 -0.318 0.000 1.081 251 L CA 2.249 56.832 54.840 -0.429 0.000 0.752 251 L CB -1.290 40.206 42.059 -0.939 0.000 0.896 251 L HN 0.309 nan 8.230 nan 0.000 0.433 252 A N -1.714 121.031 122.820 -0.125 0.000 2.019 252 A HA -0.260 4.060 4.320 0.000 0.000 0.219 252 A C 2.225 179.872 177.584 0.105 0.000 1.164 252 A CA 1.697 53.790 52.037 0.093 0.000 0.644 252 A CB -0.731 18.355 19.000 0.144 0.000 0.805 252 A HN 0.550 nan 8.150 nan 0.000 0.449 253 H N -0.519 118.535 119.070 -0.027 0.000 2.317 253 H HA 0.030 4.586 4.556 0.000 0.000 0.304 253 H C 1.652 176.974 175.328 -0.009 0.000 1.067 253 H CA 1.682 57.723 56.048 -0.012 0.000 1.352 253 H CB -0.191 29.557 29.762 -0.024 0.000 1.398 253 H HN 0.325 nan 8.280 nan 0.000 0.510 254 I N 1.104 121.649 120.570 -0.042 0.000 2.264 254 I HA -0.286 3.884 4.170 0.000 0.000 0.248 254 I C 2.316 178.402 176.117 -0.052 0.000 1.111 254 I CA 1.474 62.724 61.300 -0.083 0.000 1.382 254 I CB -0.819 37.140 38.000 -0.067 0.000 1.060 254 I HN 0.422 nan 8.210 nan 0.000 0.418 255 N N 1.485 120.186 118.700 0.002 0.000 2.002 255 N HA -0.261 4.479 4.740 0.000 0.000 0.199 255 N C 2.019 177.550 175.510 0.035 0.000 1.067 255 N CA 2.067 55.166 53.050 0.082 0.000 0.870 255 N CB -0.325 38.279 38.487 0.195 0.000 1.073 255 N HN 0.165 nan 8.380 nan 0.000 0.432 256 R N -0.673 119.839 120.500 0.021 0.000 2.174 256 R HA -0.132 4.208 4.340 0.000 0.000 0.253 256 R C 2.274 178.547 176.300 -0.046 0.000 1.165 256 R CA 1.463 57.561 56.100 -0.004 0.000 0.984 256 R CB -0.890 29.408 30.300 -0.002 0.000 0.873 256 R HN 0.514 nan 8.270 nan 0.000 0.456 257 G N 0.950 109.688 108.800 -0.103 0.000 2.484 257 G HA2 -0.222 3.738 3.960 0.000 0.000 0.215 257 G HA3 -0.222 3.738 3.960 0.000 0.000 0.215 257 G C 1.316 176.184 174.900 -0.053 0.000 1.219 257 G CA 0.426 45.461 45.100 -0.108 0.000 0.791 257 G HN 0.165 nan 8.290 nan 0.000 0.550 258 L N 1.040 122.242 121.223 -0.035 0.000 2.450 258 L HA -0.019 4.321 4.340 0.000 0.000 0.224 258 L C 3.105 179.970 176.870 -0.008 0.000 1.149 258 L CA 0.781 55.613 54.840 -0.013 0.000 0.816 258 L CB -0.420 41.645 42.059 0.010 0.000 0.932 258 L HN 0.340 nan 8.230 nan 0.000 0.449 259 I N -0.842 119.725 120.570 -0.005 0.000 3.030 259 I HA 0.075 4.246 4.170 0.000 0.000 0.270 259 I C 1.600 177.710 176.117 -0.013 0.000 1.211 259 I CA 1.169 62.467 61.300 -0.003 0.000 1.479 259 I CB -1.824 36.186 38.000 0.017 0.000 1.105 259 I HN 0.440 nan 8.210 nan 0.000 0.447 260 N N 1.519 120.207 118.700 -0.019 0.000 2.968 260 N HA 0.490 5.230 4.740 0.000 0.000 0.271 260 N C 1.116 176.610 175.510 -0.027 0.000 1.174 260 N CA 0.827 53.864 53.050 -0.021 0.000 1.096 260 N CB -1.306 37.167 38.487 -0.023 0.000 1.403 260 N HN 1.899 nan 8.380 nan 0.000 0.522 261 T N -1.752 112.786 114.554 -0.028 0.000 3.799 261 T HA -0.040 4.310 4.350 0.000 0.000 0.358 261 T C 0.898 175.573 174.700 -0.042 0.000 0.759 261 T CA 1.775 63.854 62.100 -0.035 0.000 1.869 261 T CB -2.430 66.418 68.868 -0.032 0.000 1.837 261 T HN 1.509 nan 8.240 nan 0.000 0.762 262 K N -0.371 120.004 120.400 -0.041 0.000 2.333 262 K HA 0.939 5.259 4.320 0.000 0.000 0.241 262 K C 2.075 178.640 176.600 -0.057 0.000 1.193 262 K CA 1.053 57.313 56.287 -0.044 0.000 1.142 262 K CB -1.292 31.187 32.500 -0.035 0.000 1.731 262 K HN 2.320 nan 8.250 nan 0.000 0.344 263 L N -0.995 120.181 121.223 -0.079 0.000 3.271 263 L HA -0.122 4.218 4.340 0.000 0.000 0.385 263 L C 2.253 179.065 176.870 -0.096 0.000 0.696 263 L CA 2.252 57.025 54.840 -0.112 0.000 3.118 263 L CB -2.260 39.717 42.059 -0.136 0.000 0.639 263 L HN 2.385 nan 8.230 nan 0.000 0.752 264 G N -0.824 107.933 108.800 -0.072 0.000 2.356 264 G HA2 0.263 4.223 3.960 0.000 0.000 0.233 264 G HA3 0.263 4.223 3.960 0.000 0.000 0.233 264 G C -0.289 174.567 174.900 -0.072 0.000 1.105 264 G CA 0.484 45.548 45.100 -0.059 0.000 0.861 264 G HN 1.811 nan 8.290 nan 0.000 0.493 265 K N 0.576 120.928 120.400 -0.080 0.000 2.345 265 K HA 0.561 4.881 4.320 0.000 0.000 0.255 265 K C 0.170 176.713 176.600 -0.094 0.000 0.934 265 K CA -0.778 55.416 56.287 -0.155 0.000 0.801 265 K CB 1.617 34.033 32.500 -0.139 0.000 1.137 265 K HN 0.703 nan 8.250 nan 0.000 0.424 266 H N -1.602 117.472 119.070 0.006 0.000 2.508 266 H HA 0.771 5.327 4.556 0.001 0.000 0.344 266 H C -0.347 175.018 175.328 0.061 0.000 1.192 266 H CA -1.104 54.964 56.048 0.032 0.000 1.290 266 H CB 1.073 30.853 29.762 0.029 0.000 1.571 266 H HN 0.101 nan 8.280 nan 0.000 0.555 267 V N 1.319 121.371 119.914 0.230 0.000 2.888 267 V HA 0.310 4.430 4.120 0.000 0.000 0.309 267 V C 0.039 176.258 176.094 0.209 0.000 1.114 267 V CA -0.857 61.556 62.300 0.188 0.000 0.940 267 V CB 2.125 34.026 31.823 0.131 0.000 1.021 267 V HN 1.066 nan 8.190 nan 0.000 0.426 271 G N -0.493 108.304 108.800 -0.005 0.000 2.616 271 G HA2 0.726 4.686 3.960 0.000 0.000 0.268 271 G HA3 0.726 4.686 3.960 0.000 0.000 0.268 271 G C 0.027 174.777 174.900 -0.249 0.000 1.213 271 G CA 0.368 45.387 45.100 -0.135 0.000 0.926 271 G HN 0.440 nan 8.290 nan 0.000 0.523 272 G N -2.634 105.898 108.800 -0.447 0.000 2.377 272 G HA2 0.527 4.487 3.960 0.000 0.000 0.297 272 G HA3 0.527 4.487 3.960 0.000 0.000 0.297 272 G C -1.879 172.865 174.900 -0.261 0.000 1.547 272 G CA 0.054 44.952 45.100 -0.337 0.000 0.833 272 G HN 1.517 nan 8.290 nan 0.000 0.583 273 V N 2.739 122.668 119.914 0.024 0.000 2.447 273 V HA 0.715 4.835 4.120 0.000 0.000 0.292 273 V C -0.308 175.901 176.094 0.192 0.000 1.021 273 V CA -0.922 61.453 62.300 0.125 0.000 0.850 273 V CB 0.752 32.611 31.823 0.059 0.000 1.005 273 V HN 0.930 nan 8.190 nan 0.000 0.426 274 I N 5.552 126.290 120.570 0.279 0.000 2.365 274 I HA 0.503 4.673 4.170 0.000 0.000 0.291 274 I C -0.491 175.685 176.117 0.098 0.000 1.004 274 I CA -0.199 61.208 61.300 0.179 0.000 1.311 274 I CB 1.291 39.392 38.000 0.167 0.000 1.401 274 I HN 0.658 nan 8.210 nan 0.000 0.491 275 D N 6.826 127.256 120.400 0.050 0.000 2.249 275 D HA 0.220 4.860 4.640 0.000 0.000 0.246 275 D C 0.675 176.977 176.300 0.004 0.000 1.114 275 D CA -0.203 53.815 54.000 0.030 0.000 0.854 275 D CB 1.588 42.400 40.800 0.021 0.000 1.132 275 D HN 0.590 nan 8.370 nan 0.000 0.461 276 L N 2.682 123.910 121.223 0.008 0.000 2.558 276 L HA 0.086 4.426 4.340 0.000 0.000 0.225 276 L C 1.638 178.501 176.870 -0.011 0.000 1.128 276 L CA 0.261 55.096 54.840 -0.007 0.000 0.868 276 L CB 0.146 42.206 42.059 0.001 0.000 1.006 276 L HN 0.334 nan 8.230 nan 0.000 0.454 277 E N 1.024 121.222 120.200 -0.004 0.000 2.364 277 E HA -0.038 4.312 4.350 0.000 0.000 0.196 277 E C 1.415 178.009 176.600 -0.010 0.000 0.990 277 E CA 0.532 56.929 56.400 -0.004 0.000 0.886 277 E CB 0.438 30.139 29.700 0.003 0.000 0.866 277 E HN 0.565 nan 8.360 nan 0.000 0.493 278 K N -0.312 120.080 120.400 -0.014 0.000 2.438 278 K HA 0.187 4.507 4.320 0.000 0.000 0.206 278 K C 0.054 176.634 176.600 -0.033 0.000 1.081 278 K CA -0.252 56.024 56.287 -0.018 0.000 1.053 278 K CB 0.376 32.870 32.500 -0.010 0.000 0.908 278 K HN -0.273 nan 8.250 nan 0.000 0.556 279 N N 1.791 120.463 118.700 -0.048 0.000 2.740 279 N HA -0.155 4.585 4.740 0.000 0.000 0.248 279 N C -1.189 174.263 175.510 -0.097 0.000 1.062 279 N CA 1.409 54.407 53.050 -0.087 0.000 0.704 279 N CB -1.573 36.861 38.487 -0.089 0.000 0.968 279 N HN 0.678 nan 8.380 nan 0.000 0.547 280 S N -1.191 114.472 115.700 -0.062 0.000 2.503 280 S HA 0.744 5.214 4.470 0.000 0.000 0.301 280 S C -0.450 174.144 174.600 -0.011 0.000 1.087 280 S CA -1.020 57.158 58.200 -0.038 0.000 1.042 280 S CB 2.850 66.045 63.200 -0.009 0.000 1.043 280 S HN 0.255 nan 8.310 nan 0.000 0.489 281 L N 2.422 123.657 121.223 0.021 0.000 2.322 281 L HA 0.712 5.052 4.340 0.000 0.000 0.281 281 L C -0.663 176.307 176.870 0.166 0.000 1.014 281 L CA 0.070 54.981 54.840 0.119 0.000 0.815 281 L CB 1.916 44.062 42.059 0.146 0.000 1.247 281 L HN 0.898 nan 8.230 nan 0.000 0.421 282 T N 5.398 120.046 114.554 0.158 0.000 3.060 282 T HA 0.377 4.727 4.350 0.000 0.000 0.367 282 T C -0.900 173.849 174.700 0.082 0.000 1.229 282 T CA -0.133 62.009 62.100 0.069 0.000 1.104 282 T CB -0.365 68.514 68.868 0.019 0.000 1.083 282 T HN 0.465 nan 8.240 nan 0.000 0.524 283 Y N 0.088 120.413 120.300 0.042 0.000 2.361 283 Y HA 0.804 5.354 4.550 0.000 0.000 0.332 283 Y C -0.018 175.889 175.900 0.011 0.000 1.101 283 Y CA -1.422 56.687 58.100 0.014 0.000 1.137 283 Y CB 0.834 39.335 38.460 0.068 0.000 1.207 283 Y HN 0.513 nan 8.280 nan 0.000 0.463 284 S N 5.128 120.859 115.700 0.052 0.000 2.605 284 S HA 0.669 5.139 4.470 0.000 0.000 0.308 284 S C -1.060 173.601 174.600 0.101 0.000 1.113 284 S CA -0.904 57.306 58.200 0.016 0.000 1.049 284 S CB 0.763 63.951 63.200 -0.021 0.000 1.001 284 S HN 0.922 nan 8.310 nan 0.000 0.480 285 I N 2.111 122.769 120.570 0.146 0.000 2.603 285 I HA 0.793 4.963 4.170 0.000 0.000 0.300 285 I C 0.603 176.825 176.117 0.175 0.000 1.017 285 I CA -0.581 60.813 61.300 0.157 0.000 1.098 285 I CB 2.048 40.156 38.000 0.179 0.000 1.279 285 I HN 0.619 nan 8.210 nan 0.000 0.437 286 G N 4.673 113.587 108.800 0.190 0.000 3.815 286 G HA2 0.424 4.384 3.960 0.000 0.000 0.265 286 G HA3 0.424 4.384 3.960 0.000 0.000 0.265 286 G C -0.001 175.026 174.900 0.212 0.000 1.026 286 G CA 0.170 45.448 45.100 0.297 0.000 0.868 286 G HN 0.845 nan 8.290 nan 0.000 0.476 287 G N -0.866 108.019 108.800 0.141 0.000 2.571 287 G HA2 0.458 4.418 3.960 0.000 0.000 0.304 287 G HA3 0.458 4.418 3.960 0.000 0.000 0.304 287 G C -0.498 174.454 174.900 0.087 0.000 1.314 287 G CA -0.586 44.608 45.100 0.157 0.000 0.975 287 G HN 0.149 nan 8.290 nan 0.000 0.485 288 H N 0.814 119.933 119.070 0.081 0.000 2.553 288 H HA 0.089 4.645 4.556 0.000 0.000 0.269 288 H C 1.588 176.945 175.328 0.048 0.000 1.011 288 H CA -0.364 55.715 56.048 0.051 0.000 1.150 288 H CB 0.005 29.785 29.762 0.031 0.000 1.339 288 H HN 0.362 nan 8.280 nan 0.000 0.604 289 L N -0.884 120.433 121.223 0.157 0.000 2.479 289 L HA 0.247 4.588 4.340 0.000 0.000 0.270 289 L C -2.262 174.671 176.870 0.104 0.000 1.236 289 L CA -2.252 52.667 54.840 0.132 0.000 0.823 289 L CB -0.845 41.303 42.059 0.147 0.000 1.098 289 L HN -0.113 nan 8.230 nan 0.000 0.500 290 P HA 0.081 nan 4.420 nan 0.000 0.253 290 P C 0.001 177.418 177.300 0.195 0.000 1.170 290 P CA 0.251 63.416 63.100 0.108 0.000 0.806 290 P CB -0.003 31.779 31.700 0.137 0.000 0.775 291 L N 5.902 127.213 121.223 0.147 0.000 2.503 291 L HA -0.009 4.331 4.340 0.000 0.000 0.287 291 L C -1.613 175.465 176.870 0.346 0.000 1.252 291 L CA -1.479 53.499 54.840 0.230 0.000 0.835 291 L CB -0.677 41.494 42.059 0.187 0.000 1.099 291 L HN 0.200 nan 8.230 nan 0.000 0.516 292 P HA 0.047 nan 4.420 nan 0.000 0.264 292 P C -0.704 176.644 177.300 0.080 0.000 1.236 292 P CA -0.023 63.154 63.100 0.129 0.000 0.811 292 P CB 0.392 32.097 31.700 0.009 0.000 0.840 293 V N 5.496 125.459 119.914 0.082 0.000 2.461 293 V HA 0.174 4.294 4.120 0.000 0.000 0.275 293 V C 0.582 176.631 176.094 -0.076 0.000 1.047 293 V CA -0.432 61.822 62.300 -0.077 0.000 0.955 293 V CB 0.539 32.282 31.823 -0.132 0.000 0.988 293 V HN 0.311 nan 8.190 nan 0.000 0.471 294 L N 3.073 124.224 121.223 -0.120 0.000 2.322 294 L HA 0.705 5.045 4.340 0.000 0.000 0.279 294 L C -0.813 175.995 176.870 -0.104 0.000 1.036 294 L CA -0.203 54.532 54.840 -0.175 0.000 0.807 294 L CB 0.957 42.929 42.059 -0.146 0.000 1.226 294 L HN 0.453 nan 8.230 nan 0.000 0.433 295 F N 4.019 123.799 119.950 -0.284 0.000 2.311 295 F HA 0.698 5.225 4.527 0.000 0.000 0.371 295 F C -0.943 174.757 175.800 -0.166 0.000 1.083 295 F CA -0.513 57.370 58.000 -0.194 0.000 1.113 295 F CB 1.206 40.099 39.000 -0.178 0.000 1.349 295 F HN 0.326 nan 8.300 nan 0.000 0.470 296 V N 5.712 125.412 119.914 -0.358 0.000 2.349 296 V HA 0.299 4.419 4.120 0.000 0.000 0.284 296 V C -0.623 175.274 176.094 -0.328 0.000 1.014 296 V CA -0.773 61.392 62.300 -0.225 0.000 0.826 296 V CB 1.101 32.874 31.823 -0.083 0.000 1.009 296 V HN 0.637 nan 8.190 nan 0.000 0.431 297 E N 3.596 123.621 120.200 -0.291 0.000 2.287 297 E HA -0.224 4.126 4.350 0.000 0.000 0.229 297 E C 1.199 177.575 176.600 -0.373 0.000 1.194 297 E CA 0.938 57.198 56.400 -0.233 0.000 0.704 297 E CB -1.431 28.188 29.700 -0.135 0.000 1.216 297 E HN 1.587 nan 8.360 nan 0.000 0.381 298 G N -0.489 107.887 108.800 -0.707 0.000 2.175 298 G HA2 -0.356 3.604 3.960 0.000 0.000 0.265 298 G HA3 -0.356 3.604 3.960 0.000 0.000 0.265 298 G C 0.332 174.868 174.900 -0.607 0.000 0.979 298 G CA 1.049 45.779 45.100 -0.617 0.000 0.663 298 G HN 0.314 nan 8.290 nan 0.000 0.533 299 Q N -0.534 118.843 119.800 -0.706 0.000 2.194 299 Q HA 0.858 5.198 4.340 0.000 0.000 0.245 299 Q C 0.134 175.903 176.000 -0.386 0.000 0.993 299 Q CA 0.211 55.771 55.803 -0.405 0.000 0.930 299 Q CB 2.015 30.594 28.738 -0.266 0.000 1.238 299 Q HN 1.116 nan 8.270 nan 0.000 0.486 300 A N -0.817 121.875 122.820 -0.212 0.000 2.594 300 A HA 0.871 5.192 4.320 0.000 0.000 0.295 300 A C -0.979 176.498 177.584 -0.178 0.000 1.071 300 A CA 0.034 51.969 52.037 -0.170 0.000 0.685 300 A CB 2.160 21.086 19.000 -0.123 0.000 1.285 300 A HN 0.685 nan 8.150 nan 0.000 0.405 301 G N -0.028 108.634 108.800 -0.230 0.000 2.503 301 G HA2 0.522 4.482 3.960 0.000 0.000 0.305 301 G HA3 0.522 4.482 3.960 0.000 0.000 0.305 301 G C -1.096 173.680 174.900 -0.207 0.000 1.575 301 G CA -0.647 44.329 45.100 -0.207 0.000 0.890 301 G HN 0.653 nan 8.290 nan 0.000 0.612 302 Y N 0.060 120.363 120.300 0.005 0.000 2.296 302 Y HA 0.684 5.234 4.550 0.000 0.000 0.396 302 Y C 1.323 177.225 175.900 0.003 0.000 1.347 302 Y CA -0.244 57.859 58.100 0.006 0.000 1.875 302 Y CB 0.392 38.861 38.460 0.016 0.000 1.685 302 Y HN 0.394 nan 8.280 nan 0.000 0.642 303 L N -0.546 120.797 121.223 0.199 0.000 2.333 303 L HA 0.641 4.981 4.340 0.000 0.000 0.263 303 L C -0.277 176.698 176.870 0.174 0.000 1.014 303 L CA -1.277 53.640 54.840 0.128 0.000 0.820 303 L CB 1.722 43.743 42.059 -0.064 0.000 1.352 303 L HN 0.607 nan 8.230 nan 0.000 0.421 304 E N 0.787 121.113 120.200 0.210 0.000 2.089 304 E HA 0.632 4.982 4.350 0.000 0.000 0.284 304 E C -0.079 176.637 176.600 0.193 0.000 1.023 304 E CA 0.014 56.511 56.400 0.162 0.000 0.819 304 E CB 1.255 31.026 29.700 0.119 0.000 1.076 304 E HN 0.848 nan 8.360 nan 0.000 0.396 305 G N 0.815 109.699 108.800 0.140 0.000 2.579 305 G HA2 0.597 4.557 3.960 0.000 0.000 0.292 305 G HA3 0.597 4.557 3.960 0.000 0.000 0.292 305 G C -0.742 174.172 174.900 0.024 0.000 1.484 305 G CA -0.380 44.790 45.100 0.117 0.000 0.813 305 G HN 0.650 nan 8.290 nan 0.000 0.515 311 G N 2.032 111.056 108.800 0.373 0.000 2.162 311 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 311 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 311 G C 0.661 175.661 174.900 0.167 0.000 0.976 311 G CA 1.090 46.342 45.100 0.254 0.000 0.655 311 G HN 1.854 nan 8.290 nan 0.000 0.533 312 L N -2.718 118.591 121.223 0.142 0.000 2.416 312 L HA 0.697 5.037 4.340 0.000 0.000 0.216 312 L C 0.903 177.664 176.870 -0.182 0.000 1.098 312 L CA 0.056 54.867 54.840 -0.047 0.000 0.840 312 L CB -0.111 41.859 42.059 -0.147 0.000 0.981 312 L HN 0.021 nan 8.230 nan 0.000 0.462 313 F N 1.166 121.141 119.950 0.042 0.000 2.404 313 F HA 0.295 4.822 4.527 0.000 0.000 0.345 313 F C 1.237 177.048 175.800 0.017 0.000 1.110 313 F CA -0.533 57.472 58.000 0.009 0.000 1.130 313 F CB 0.706 39.687 39.000 -0.030 0.000 1.129 313 F HN -0.096 nan 8.300 nan 0.000 0.500 314 D N 1.437 121.940 120.400 0.171 0.000 2.348 314 D HA -0.050 4.590 4.640 0.000 0.000 0.248 314 D C -0.726 175.635 176.300 0.102 0.000 1.142 314 D CA 0.604 54.670 54.000 0.109 0.000 0.904 314 D CB -0.348 40.493 40.800 0.069 0.000 0.901 314 D HN 0.350 nan 8.370 nan 0.000 0.523 315 D N -0.698 119.772 120.400 0.117 0.000 2.471 315 D HA 0.328 4.968 4.640 0.000 0.000 0.245 315 D C 0.848 177.132 176.300 -0.028 0.000 1.116 315 D CA -0.422 53.597 54.000 0.032 0.000 0.853 315 D CB 1.755 42.543 40.800 -0.019 0.000 1.123 315 D HN -0.040 nan 8.370 nan 0.000 0.540 316 A N 2.291 125.122 122.820 0.018 0.000 1.848 316 A HA -0.180 4.140 4.320 0.000 0.000 0.217 316 A C 1.351 178.679 177.584 -0.427 0.000 1.220 316 A CA 2.804 54.866 52.037 0.042 0.000 0.645 316 A CB -1.226 17.892 19.000 0.197 0.000 0.842 316 A HN 1.117 nan 8.150 nan 0.000 0.451 317 T N -4.341 110.082 114.554 -0.220 0.000 3.996 317 T HA -0.243 4.107 4.350 0.000 0.000 0.348 317 T C -0.277 174.209 174.700 -0.357 0.000 0.757 317 T CA 1.435 63.374 62.100 -0.268 0.000 1.898 317 T CB -2.968 65.723 68.868 -0.296 0.000 1.861 317 T HN 0.642 nan 8.240 nan 0.000 0.821 318 Y N 0.528 120.823 120.300 -0.009 0.000 2.361 318 Y HA 0.722 5.272 4.550 0.000 0.000 0.332 318 Y C 0.647 176.533 175.900 -0.024 0.000 1.101 318 Y CA -1.138 56.956 58.100 -0.011 0.000 1.137 318 Y CB 1.329 39.791 38.460 0.004 0.000 1.207 318 Y HN 0.262 nan 8.280 nan 0.000 0.463 319 D N 0.895 121.369 120.400 0.123 0.000 2.477 319 D HA 0.382 5.022 4.640 0.000 0.000 0.234 319 D C -1.456 174.835 176.300 -0.016 0.000 1.048 319 D CA -0.539 53.479 54.000 0.030 0.000 0.959 319 D CB 1.920 42.716 40.800 -0.007 0.000 1.408 319 D HN 0.575 nan 8.370 nan 0.000 0.496 320 D N -2.820 117.530 120.400 -0.083 0.000 2.645 320 D HA 0.652 5.292 4.640 0.000 0.000 0.228 320 D C -0.618 175.515 176.300 -0.278 0.000 1.148 320 D CA -0.821 53.060 54.000 -0.198 0.000 0.860 320 D CB 0.774 41.489 40.800 -0.141 0.000 1.548 320 D HN 0.349 nan 8.370 nan 0.000 0.460 321 R N 0.839 121.011 120.500 -0.546 0.000 2.412 321 R HA 0.648 4.988 4.340 0.000 0.000 0.304 321 R C -0.159 175.945 176.300 -0.327 0.000 1.066 321 R CA -0.810 55.035 56.100 -0.426 0.000 0.923 321 R CB 0.069 30.123 30.300 -0.409 0.000 1.156 321 R HN 0.460 nan 8.270 nan 0.000 0.513 325 L N 1.551 122.695 121.223 -0.132 0.000 2.381 325 L HA 0.515 4.855 4.340 0.000 0.000 0.274 325 L C -2.322 174.475 176.870 -0.121 0.000 0.988 325 L CA -1.870 52.827 54.840 -0.239 0.000 0.824 325 L CB 1.728 43.481 42.059 -0.511 0.000 1.263 325 L HN 0.166 nan 8.230 nan 0.000 0.410 326 P HA 0.264 nan 4.420 nan 0.000 0.274 326 P C -2.088 175.219 177.300 0.012 0.000 1.256 326 P CA -1.204 61.902 63.100 0.010 0.000 0.795 326 P CB 0.161 31.895 31.700 0.056 0.000 1.038 327 P HA -0.123 nan 4.420 nan 0.000 0.215 327 P C 0.104 177.429 177.300 0.041 0.000 1.157 327 P CA 1.481 64.588 63.100 0.011 0.000 0.874 327 P CB -0.231 31.473 31.700 0.006 0.000 0.790 328 S N -0.575 115.161 115.700 0.061 0.000 2.452 328 S HA 0.555 5.026 4.470 0.000 0.000 0.284 328 S C -0.715 173.988 174.600 0.172 0.000 1.171 328 S CA -0.595 57.655 58.200 0.084 0.000 1.064 328 S CB -0.009 63.222 63.200 0.052 0.000 0.967 328 S HN 0.009 nan 8.310 nan 0.000 0.484 329 F N 1.757 121.687 119.950 -0.033 0.000 2.615 329 F HA 0.592 5.119 4.527 0.000 0.000 0.312 329 F C -0.954 174.807 175.800 -0.065 0.000 1.119 329 F CA -0.410 57.561 58.000 -0.049 0.000 0.979 329 F CB 2.015 40.965 39.000 -0.082 0.000 1.266 329 F HN 0.596 nan 8.300 nan 0.000 0.444 330 S N 5.944 121.142 115.700 -0.837 0.000 2.488 330 S HA 0.250 4.720 4.470 0.000 0.000 0.151 330 S C -1.412 172.752 174.600 -0.726 0.000 1.401 330 S CA -0.398 57.438 58.200 -0.607 0.000 1.221 330 S CB 0.512 63.569 63.200 -0.239 0.000 1.407 330 S HN 0.613 nan 8.310 nan 0.000 0.406 331 L N 2.994 123.612 121.223 -1.009 0.000 2.410 331 L HA 0.488 4.828 4.340 0.000 0.000 0.273 331 L C -0.181 176.493 176.870 -0.327 0.000 1.152 331 L CA 0.950 55.447 54.840 -0.573 0.000 0.855 331 L CB 0.650 42.530 42.059 -0.298 0.000 1.129 331 L HN 0.405 nan 8.230 nan 0.000 0.463 332 S N 5.974 121.561 115.700 -0.188 0.000 2.596 332 S HA 0.622 5.092 4.470 0.000 0.000 0.318 332 S C -0.514 173.971 174.600 -0.192 0.000 1.097 332 S CA -0.622 57.456 58.200 -0.204 0.000 1.080 332 S CB 0.886 64.082 63.200 -0.006 0.000 0.991 332 S HN 0.490 nan 8.310 nan 0.000 0.471 333 L N 3.086 124.071 121.223 -0.397 0.000 2.360 333 L HA 0.732 5.072 4.340 0.000 0.000 0.271 333 L C -1.047 175.435 176.870 -0.647 0.000 1.057 333 L CA -0.659 54.038 54.840 -0.239 0.000 0.803 333 L CB 0.731 42.757 42.059 -0.056 0.000 1.207 333 L HN 0.529 nan 8.230 nan 0.000 0.445 334 F N -1.098 118.889 119.950 0.061 0.000 2.631 334 F HA 0.444 4.971 4.527 0.000 0.000 0.308 334 F C 0.155 175.994 175.800 0.065 0.000 1.097 334 F CA -0.537 57.493 58.000 0.049 0.000 0.952 334 F CB 2.122 41.142 39.000 0.033 0.000 1.307 334 F HN 0.347 nan 8.300 nan 0.000 0.450 335 S N -0.634 115.208 115.700 0.236 0.000 2.677 335 S HA 0.228 4.698 4.470 0.000 0.000 0.290 335 S C -0.403 174.288 174.600 0.151 0.000 1.124 335 S CA -0.715 57.586 58.200 0.169 0.000 1.017 335 S CB 0.573 63.852 63.200 0.131 0.000 1.215 335 S HN 0.550 nan 8.310 nan 0.000 0.524 336 D N 1.624 122.100 120.400 0.126 0.000 2.644 336 D HA 0.214 4.854 4.640 0.000 0.000 0.252 336 D C 0.410 176.758 176.300 0.080 0.000 1.254 336 D CA 0.112 54.174 54.000 0.103 0.000 0.884 336 D CB -0.807 40.057 40.800 0.107 0.000 1.034 336 D HN 0.508 nan 8.370 nan 0.000 0.473 337 G N 0.597 109.444 108.800 0.079 0.000 2.696 337 G HA2 0.417 4.377 3.960 0.000 0.000 0.329 337 G HA3 0.417 4.377 3.960 0.000 0.000 0.329 337 G C -0.094 174.809 174.900 0.005 0.000 0.973 337 G CA -0.374 44.754 45.100 0.046 0.000 1.257 337 G HN 0.042 nan 8.290 nan 0.000 0.456 338 I N 1.702 122.269 120.570 -0.004 0.000 2.577 338 I HA 0.341 4.511 4.170 0.000 0.000 0.305 338 I C 0.897 176.987 176.117 -0.045 0.000 0.986 338 I CA -0.726 60.554 61.300 -0.034 0.000 1.189 338 I CB 1.888 39.881 38.000 -0.013 0.000 1.355 338 I HN 0.608 nan 8.210 nan 0.000 0.476 339 L N 1.415 122.595 121.223 -0.071 0.000 4.312 339 L HA -0.250 4.090 4.340 0.000 0.000 0.427 339 L C 0.034 176.875 176.870 -0.048 0.000 1.149 339 L CA 1.383 56.190 54.840 -0.054 0.000 0.978 339 L CB -2.991 39.058 42.059 -0.018 0.000 1.963 339 L HN 0.761 nan 8.230 nan 0.000 0.970 340 D N -0.077 120.270 120.400 -0.087 0.000 2.383 340 D HA 0.700 5.340 4.640 0.000 0.000 0.245 340 D C 0.712 176.985 176.300 -0.045 0.000 1.263 340 D CA 0.494 54.464 54.000 -0.051 0.000 0.936 340 D CB 0.566 41.335 40.800 -0.052 0.000 1.053 340 D HN 1.126 nan 8.370 nan 0.000 0.507 345 A N -1.438 121.385 122.820 0.005 0.000 3.281 345 A HA 0.943 5.263 4.320 0.000 0.000 0.302 345 A C 1.097 178.684 177.584 0.005 0.000 1.115 345 A CA 1.152 53.191 52.037 0.002 0.000 0.595 345 A CB -0.021 18.981 19.000 0.004 0.000 1.518 345 A HN 2.847 nan 8.150 nan 0.000 0.674 346 T N -2.755 111.802 114.554 0.006 0.000 5.060 346 T HA -0.132 4.218 4.350 0.000 0.000 0.309 346 T C -0.190 174.513 174.700 0.005 0.000 1.248 346 T CA 2.065 64.169 62.100 0.007 0.000 2.322 346 T CB -2.161 66.712 68.868 0.008 0.000 1.982 346 T HN 2.319 nan 8.240 nan 0.000 0.955 347 L N -0.923 120.303 121.223 0.003 0.000 2.614 347 L HA 0.726 5.066 4.340 0.000 0.000 0.264 347 L C 0.539 177.409 176.870 -0.000 0.000 0.940 347 L CA -0.368 54.474 54.840 0.002 0.000 0.903 347 L CB 1.797 43.858 42.059 0.003 0.000 1.306 347 L HN 0.101 nan 8.230 nan 0.000 0.410 348 K N 3.232 123.631 120.400 -0.001 0.000 1.973 348 K HA -0.127 4.193 4.320 0.000 0.000 0.212 348 K C 1.387 177.982 176.600 -0.008 0.000 1.047 348 K CA 2.388 58.672 56.287 -0.005 0.000 0.937 348 K CB -0.084 32.413 32.500 -0.006 0.000 0.721 348 K HN 0.735 nan 8.250 nan 0.000 0.440 349 E N -0.378 119.817 120.200 -0.007 0.000 2.110 349 E HA -0.204 4.146 4.350 0.000 0.000 0.193 349 E C 2.032 178.632 176.600 0.001 0.000 0.988 349 E CA 1.724 58.119 56.400 -0.008 0.000 0.804 349 E CB -0.453 29.244 29.700 -0.004 0.000 0.745 349 E HN 0.330 nan 8.360 nan 0.000 0.458 350 K N 1.289 121.692 120.400 0.004 0.000 2.211 350 K HA -0.082 4.238 4.320 0.000 0.000 0.203 350 K C 1.812 178.417 176.600 0.009 0.000 1.050 350 K CA 1.597 57.889 56.287 0.009 0.000 0.945 350 K CB -0.516 31.988 32.500 0.007 0.000 0.732 350 K HN 0.218 nan 8.250 nan 0.000 0.451 351 E N -0.786 119.415 120.200 0.001 0.000 2.474 351 E HA 0.330 4.680 4.350 0.000 0.000 0.195 351 E C 1.352 177.951 176.600 -0.001 0.000 1.039 351 E CA 0.590 56.987 56.400 -0.006 0.000 0.881 351 E CB 0.294 29.986 29.700 -0.014 0.000 0.970 351 E HN 0.451 nan 8.360 nan 0.000 0.486 352 A N -0.664 122.156 122.820 0.000 0.000 2.345 352 A HA 0.268 4.588 4.320 0.000 0.000 0.225 352 A C 1.171 178.784 177.584 0.048 0.000 1.243 352 A CA 0.183 52.205 52.037 -0.025 0.000 0.875 352 A CB 0.362 19.316 19.000 -0.077 0.000 0.929 352 A HN 0.097 nan 8.150 nan 0.000 0.502 353 S N -1.488 114.279 115.700 0.111 0.000 2.904 353 S HA 0.108 4.578 4.470 0.000 0.000 0.260 353 S C 0.810 175.468 174.600 0.097 0.000 1.000 353 S CA -0.144 58.173 58.200 0.195 0.000 1.274 353 S CB 0.120 63.405 63.200 0.142 0.000 1.196 353 S HN 0.348 nan 8.310 nan 0.000 0.678 354 L N 3.117 124.370 121.223 0.050 0.000 2.145 354 L HA 0.319 4.659 4.340 0.000 0.000 0.201 354 L C -1.525 175.324 176.870 -0.036 0.000 1.075 354 L CA 1.374 56.217 54.840 0.005 0.000 0.773 354 L CB -1.039 41.015 42.059 -0.008 0.000 0.936 354 L HN -0.018 nan 8.230 nan 0.000 0.451 355 P HA -0.228 nan 4.420 nan 0.000 0.216 355 P C 1.219 178.410 177.300 -0.183 0.000 1.150 355 P CA 1.916 64.899 63.100 -0.194 0.000 0.843 355 P CB -0.104 31.434 31.700 -0.270 0.000 0.787 356 E N -0.690 119.426 120.200 -0.141 0.000 2.150 356 E HA -0.212 4.138 4.350 0.000 0.000 0.193 356 E C 2.234 178.780 176.600 -0.090 0.000 0.985 356 E CA 1.424 57.703 56.400 -0.201 0.000 0.814 356 E CB -1.209 28.264 29.700 -0.378 0.000 0.752 356 E HN 0.187 nan 8.360 nan 0.000 0.466 357 Q N 1.133 120.904 119.800 -0.048 0.000 2.269 357 Q HA 0.119 4.460 4.340 0.000 0.000 0.201 357 Q C 2.294 178.301 176.000 0.012 0.000 0.946 357 Q CA 1.298 57.094 55.803 -0.011 0.000 0.877 357 Q CB -0.534 28.204 28.738 -0.000 0.000 0.963 357 Q HN 0.266 nan 8.270 nan 0.000 0.472 358 V N 0.569 120.481 119.914 -0.004 0.000 2.407 358 V HA -0.066 4.054 4.120 0.000 0.000 0.245 358 V C 2.820 178.939 176.094 0.043 0.000 1.041 358 V CA 1.594 63.912 62.300 0.030 0.000 1.040 358 V CB -0.675 31.155 31.823 0.013 0.000 0.671 358 V HN 0.692 nan 8.190 nan 0.000 0.455 359 A N 0.011 122.828 122.820 -0.005 0.000 1.968 359 A HA 0.036 4.357 4.320 0.000 0.000 0.217 359 A C 2.356 179.986 177.584 0.077 0.000 1.169 359 A CA 1.681 53.728 52.037 0.017 0.000 0.638 359 A CB -0.565 18.430 19.000 -0.008 0.000 0.812 359 A HN 0.526 nan 8.150 nan 0.000 0.446 360 A N -0.263 122.653 122.820 0.160 0.000 1.968 360 A HA 0.272 4.592 4.320 0.000 0.000 0.217 360 A C 2.371 180.137 177.584 0.303 0.000 1.169 360 A CA 1.684 53.949 52.037 0.380 0.000 0.638 360 A CB -0.691 18.408 19.000 0.165 0.000 0.812 360 A HN 0.928 nan 8.150 nan 0.000 0.446 361 A N -0.191 122.710 122.820 0.135 0.000 2.016 361 A HA 0.399 4.720 4.320 0.000 0.000 0.217 361 A C 1.627 179.245 177.584 0.057 0.000 1.162 361 A CA 0.994 53.085 52.037 0.091 0.000 0.662 361 A CB -1.020 18.016 19.000 0.060 0.000 0.812 361 A HN 0.685 nan 8.150 nan 0.000 0.450 362 G N -1.429 107.393 108.800 0.036 0.000 2.651 362 G HA2 0.393 4.354 3.960 0.000 0.000 0.260 362 G HA3 0.393 4.354 3.960 0.000 0.000 0.260 362 G C 0.686 175.529 174.900 -0.097 0.000 1.216 362 G CA -0.017 45.077 45.100 -0.010 0.000 0.913 362 G HN 0.637 nan 8.290 nan 0.000 0.535 363 G N -1.178 107.557 108.800 -0.108 0.000 3.353 363 G HA2 0.376 4.336 3.960 0.000 0.000 0.247 363 G HA3 0.376 4.336 3.960 0.000 0.000 0.247 363 G C 0.959 175.695 174.900 -0.273 0.000 1.025 363 G CA 0.760 45.766 45.100 -0.157 0.000 1.863 363 G HN 1.003 nan 8.290 nan 0.000 0.635 364 T N -1.026 113.226 114.554 -0.504 0.000 12.655 364 T HA -0.405 3.945 4.350 0.000 0.000 0.417 364 T C 1.317 175.792 174.700 -0.375 0.000 1.457 364 T CA 2.418 64.082 62.100 -0.726 0.000 2.398 364 T CB -1.225 67.274 68.868 -0.614 0.000 2.819 364 T HN 1.045 nan 8.240 nan 0.000 0.750 365 L N -2.732 118.358 121.223 -0.220 0.000 2.455 365 L HA 0.617 4.957 4.340 0.000 0.000 0.138 365 L C 1.435 178.273 176.870 -0.052 0.000 1.398 365 L CA 0.172 54.941 54.840 -0.118 0.000 0.998 365 L CB -0.450 41.520 42.059 -0.148 0.000 1.985 365 L HN -0.110 nan 8.230 nan 0.000 0.493 366 D N 1.525 121.885 120.400 -0.066 0.000 2.095 366 D HA -0.089 4.551 4.640 0.000 0.000 0.192 366 D C 2.097 178.385 176.300 -0.021 0.000 0.990 366 D CA 2.310 56.289 54.000 -0.035 0.000 0.836 366 D CB -0.785 39.986 40.800 -0.047 0.000 0.979 366 D HN 0.533 nan 8.370 nan 0.000 0.447 367 G N 1.146 109.919 108.800 -0.044 0.000 2.732 367 G HA2 -0.316 3.644 3.960 0.000 0.000 0.222 367 G HA3 -0.316 3.644 3.960 0.000 0.000 0.222 367 G C 1.632 176.510 174.900 -0.037 0.000 1.203 367 G CA 1.462 46.534 45.100 -0.046 0.000 0.780 367 G HN 0.294 nan 8.290 nan 0.000 0.621 368 L N 1.260 122.476 121.223 -0.010 0.000 2.005 368 L HA 0.093 4.434 4.340 0.000 0.000 0.207 368 L C 3.455 180.419 176.870 0.157 0.000 1.072 368 L CA 2.950 57.810 54.840 0.033 0.000 0.744 368 L CB -0.864 41.272 42.059 0.129 0.000 0.895 368 L HN 0.329 nan 8.230 nan 0.000 0.433 369 R N -0.472 120.161 120.500 0.221 0.000 2.127 369 R HA -0.217 4.123 4.340 0.000 0.000 0.238 369 R C 2.080 178.499 176.300 0.198 0.000 1.134 369 R CA 1.842 58.118 56.100 0.293 0.000 0.975 369 R CB -1.593 28.811 30.300 0.172 0.000 0.865 369 R HN 0.658 nan 8.270 nan 0.000 0.447 370 Q N 0.036 119.882 119.800 0.078 0.000 2.172 370 Q HA 0.013 4.353 4.340 0.000 0.000 0.200 370 Q C 2.037 178.030 176.000 -0.011 0.000 0.964 370 Q CA 1.684 57.505 55.803 0.030 0.000 0.855 370 Q CB -0.104 28.632 28.738 -0.003 0.000 0.918 370 Q HN 0.407 nan 8.270 nan 0.000 0.444 371 V N 0.198 120.052 119.914 -0.099 0.000 2.626 371 V HA -0.160 3.961 4.120 0.000 0.000 0.252 371 V C 1.525 177.470 176.094 -0.249 0.000 1.067 371 V CA 1.415 63.578 62.300 -0.228 0.000 1.081 371 V CB -0.597 30.990 31.823 -0.393 0.000 0.686 371 V HN 0.301 nan 8.190 nan 0.000 0.468 372 F N 1.124 121.078 119.950 0.006 0.000 2.335 372 F HA 0.167 4.694 4.527 -0.000 0.000 0.296 372 F C 2.355 178.164 175.800 0.014 0.000 1.091 372 F CA 1.059 59.065 58.000 0.011 0.000 1.399 372 F CB -1.164 37.847 39.000 0.018 0.000 1.067 372 F HN 0.169 nan 8.300 nan 0.000 0.520 373 G N 0.992 109.902 108.800 0.184 0.000 2.414 373 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 373 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 373 G C 1.565 176.506 174.900 0.068 0.000 1.188 373 G CA 1.209 46.377 45.100 0.114 0.000 0.783 373 G HN 0.367 nan 8.290 nan 0.000 0.537 374 L N -0.388 120.859 121.223 0.040 0.000 2.240 374 L HA 0.480 4.820 4.340 0.000 0.000 0.211 374 L C 2.750 179.630 176.870 0.017 0.000 1.106 374 L CA 1.514 56.366 54.840 0.020 0.000 0.793 374 L CB -0.975 41.086 42.059 0.003 0.000 0.927 374 L HN 0.152 nan 8.230 nan 0.000 0.446 375 A N 0.654 123.483 122.820 0.016 0.000 1.841 375 A HA -0.082 4.238 4.320 0.000 0.000 0.214 375 A C 1.203 178.807 177.584 0.034 0.000 1.195 375 A CA 1.534 53.578 52.037 0.012 0.000 0.611 375 A CB -0.882 18.114 19.000 -0.006 0.000 0.835 375 A HN 0.661 nan 8.150 nan 0.000 0.443 376 N N 0.275 119.012 118.700 0.061 0.000 2.976 376 N HA 0.428 5.168 4.740 0.000 0.000 0.255 376 N C -0.113 175.429 175.510 0.053 0.000 1.312 376 N CA -0.190 52.895 53.050 0.059 0.000 0.897 376 N CB 0.836 39.370 38.487 0.078 0.000 1.184 376 N HN 0.263 nan 8.380 nan 0.000 0.497 377 L N 0.771 122.017 121.223 0.038 0.000 2.622 377 L HA 0.092 4.432 4.340 0.000 0.000 0.233 377 L C 1.231 178.115 176.870 0.023 0.000 1.156 377 L CA -0.017 54.842 54.840 0.031 0.000 0.866 377 L CB -0.281 41.792 42.059 0.024 0.000 0.980 377 L HN 0.417 nan 8.230 nan 0.000 0.448 378 A N 1.621 124.455 122.820 0.023 0.000 2.565 378 A HA 0.005 4.325 4.320 0.000 0.000 0.237 378 A C 0.769 178.356 177.584 0.006 0.000 1.053 378 A CA -0.271 51.775 52.037 0.015 0.000 0.755 378 A CB 0.006 19.017 19.000 0.018 0.000 0.980 378 A HN 0.377 nan 8.150 nan 0.000 0.506 379 E N 4.540 124.736 120.200 -0.007 0.000 2.081 379 E HA 0.089 4.439 4.350 0.000 0.000 0.270 379 E C -0.594 175.984 176.600 -0.037 0.000 1.180 379 E CA -0.136 56.246 56.400 -0.031 0.000 0.926 379 E CB 0.004 29.677 29.700 -0.046 0.000 1.035 379 E HN 0.456 nan 8.360 nan 0.000 0.418 380 M N 4.164 123.745 119.600 -0.032 0.000 2.268 380 M HA 0.195 4.675 4.480 0.000 0.000 0.349 380 M C -2.091 174.174 176.300 -0.058 0.000 1.485 380 M CA -2.233 53.053 55.300 -0.024 0.000 1.094 380 M CB -0.470 32.126 32.600 -0.007 0.000 1.843 380 M HN 0.136 nan 8.290 nan 0.000 0.460 381 P HA -0.048 nan 4.420 nan 0.000 0.266 381 P C 0.168 177.473 177.300 0.007 0.000 1.180 381 P CA 0.708 63.800 63.100 -0.014 0.000 0.765 381 P CB 0.364 32.102 31.700 0.062 0.000 0.806 382 D N 0.925 121.375 120.400 0.083 0.000 4.160 382 D HA -0.156 4.485 4.640 0.000 0.000 0.291 382 D C -1.067 175.223 176.300 -0.017 0.000 2.226 382 D CA 0.921 55.045 54.000 0.206 0.000 1.157 382 D CB -0.612 40.284 40.800 0.161 0.000 1.020 382 D HN 0.321 nan 8.370 nan 0.000 1.219 383 D N -0.389 120.050 120.400 0.065 0.000 2.481 383 D HA 0.537 5.177 4.640 0.000 0.000 0.244 383 D C -0.550 175.782 176.300 0.055 0.000 1.057 383 D CA -0.414 53.608 54.000 0.036 0.000 0.848 383 D CB 1.541 42.386 40.800 0.074 0.000 1.388 383 D HN 0.405 nan 8.370 nan 0.000 0.475 384 I N 1.386 121.981 120.570 0.042 0.000 2.330 384 I HA 0.584 4.754 4.170 0.000 0.000 0.289 384 I C -1.173 174.981 176.117 0.062 0.000 1.001 384 I CA -0.438 60.896 61.300 0.057 0.000 1.193 384 I CB 0.675 38.701 38.000 0.045 0.000 1.345 384 I HN 0.373 nan 8.210 nan 0.000 0.461 385 A N 7.415 130.279 122.820 0.073 0.000 2.454 385 A HA 0.938 5.258 4.320 0.000 0.000 0.302 385 A C -1.712 175.892 177.584 0.033 0.000 1.079 385 A CA -0.616 51.449 52.037 0.046 0.000 0.731 385 A CB 1.485 20.502 19.000 0.028 0.000 1.299 385 A HN 0.994 nan 8.150 nan 0.000 0.413 386 L N -0.436 120.773 121.223 -0.023 0.000 2.526 386 L HA 0.840 5.180 4.340 0.000 0.000 0.263 386 L C -1.253 175.530 176.870 -0.145 0.000 0.943 386 L CA -0.674 54.072 54.840 -0.157 0.000 0.859 386 L CB 1.751 43.719 42.059 -0.152 0.000 1.313 386 L HN 0.591 nan 8.230 nan 0.000 0.406 387 L N 4.035 125.120 121.223 -0.230 0.000 2.353 387 L HA 0.808 5.148 4.340 0.000 0.000 0.270 387 L C -1.262 175.471 176.870 -0.228 0.000 1.003 387 L CA -0.322 54.452 54.840 -0.111 0.000 0.862 387 L CB 1.601 43.648 42.059 -0.019 0.000 1.221 387 L HN 0.514 nan 8.230 nan 0.000 0.430 388 V N 5.390 125.170 119.914 -0.222 0.000 2.398 388 V HA 0.485 4.605 4.120 0.000 0.000 0.286 388 V C -0.013 175.874 176.094 -0.346 0.000 1.026 388 V CA -0.617 61.509 62.300 -0.290 0.000 0.868 388 V CB 1.424 33.101 31.823 -0.245 0.000 0.982 388 V HN 0.692 nan 8.190 nan 0.000 0.443 389 L N 4.810 125.766 121.223 -0.446 0.000 2.352 389 L HA 0.914 5.254 4.340 0.000 0.000 0.269 389 L C 0.203 176.802 176.870 -0.451 0.000 1.034 389 L CA 0.508 54.983 54.840 -0.607 0.000 0.806 389 L CB 2.101 43.678 42.059 -0.803 0.000 1.244 389 L HN 0.912 nan 8.230 nan 0.000 0.447 390 S N 2.782 118.235 115.700 -0.412 0.000 2.556 390 S HA 0.781 5.251 4.470 0.000 0.000 0.271 390 S C -0.854 173.638 174.600 -0.180 0.000 1.135 390 S CA -0.953 57.090 58.200 -0.262 0.000 0.858 390 S CB 1.763 64.833 63.200 -0.217 0.000 1.114 390 S HN 0.832 nan 8.310 nan 0.000 0.468 391 R N 1.889 122.339 120.500 -0.085 0.000 3.090 391 R HA 0.336 4.676 4.340 0.000 0.000 0.279 391 R C -1.740 174.560 176.300 0.001 0.000 1.462 391 R CA -0.072 56.009 56.100 -0.031 0.000 1.044 391 R CB 0.022 30.339 30.300 0.028 0.000 1.365 391 R HN 1.041 nan 8.270 nan 0.000 0.399 392 N N 0.000 118.689 118.700 -0.018 0.000 1.763 392 N HA 0.000 4.740 4.740 0.000 0.000 0.220 392 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 392 N CB 0.000 38.492 38.487 0.008 0.000 1.341 392 N HN 0.000 nan 8.380 nan 0.000 0.667