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 1m1y_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.625 174.600 0.042 0.000 1.055 2 S CA 0.000 58.231 58.200 0.052 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 Q N 0.946 120.760 119.800 0.023 0.000 2.353 3 Q HA 0.537 4.877 4.340 -0.000 0.000 0.268 3 Q C -1.449 174.549 176.000 -0.002 0.000 1.045 3 Q CA -0.684 55.121 55.803 0.004 0.000 0.811 3 Q CB 2.041 30.780 28.738 0.001 0.000 1.305 3 Q HN 0.489 nan 8.270 nan 0.000 0.447 4 Q N 1.342 121.136 119.800 -0.010 0.000 2.430 4 Q HA 0.161 4.501 4.340 -0.000 0.000 0.245 4 Q C 0.879 176.872 176.000 -0.011 0.000 1.021 4 Q CA -0.115 55.683 55.803 -0.010 0.000 0.867 4 Q CB 1.435 30.166 28.738 -0.012 0.000 1.210 4 Q HN 0.563 nan 8.270 nan 0.000 0.487 5 V N 2.868 122.777 119.914 -0.008 0.000 2.495 5 V HA -0.367 3.753 4.120 -0.000 0.000 0.260 5 V C 1.267 177.355 176.094 -0.010 0.000 1.097 5 V CA 2.801 65.097 62.300 -0.008 0.000 1.105 5 V CB -0.059 31.762 31.823 -0.004 0.000 0.678 5 V HN 0.911 nan 8.190 nan 0.000 0.469 6 D N -1.239 119.155 120.400 -0.010 0.000 2.162 6 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 6 D C 1.342 177.633 176.300 -0.014 0.000 0.967 6 D CA 0.642 54.636 54.000 -0.010 0.000 0.840 6 D CB -0.110 40.685 40.800 -0.009 0.000 0.972 6 D HN 0.351 nan 8.370 nan 0.000 0.482 7 K N 1.008 121.397 120.400 -0.019 0.000 2.753 7 K HA 0.319 4.639 4.320 -0.000 0.000 0.185 7 K C -0.639 175.940 176.600 -0.035 0.000 1.071 7 K CA -0.583 55.689 56.287 -0.026 0.000 0.999 7 K CB 0.343 32.828 32.500 -0.026 0.000 1.244 7 K HN 0.123 nan 8.250 nan 0.000 0.594 8 I N 3.063 123.613 120.570 -0.034 0.000 2.648 8 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 8 I C 0.589 176.666 176.117 -0.066 0.000 1.153 8 I CA 0.463 61.736 61.300 -0.044 0.000 1.426 8 I CB 0.399 38.377 38.000 -0.036 0.000 1.381 8 I HN 0.041 nan 8.210 nan 0.000 0.571 9 K N 5.938 126.284 120.400 -0.091 0.000 2.182 9 K HA 0.743 5.063 4.320 -0.000 0.000 0.262 9 K C -0.352 176.147 176.600 -0.168 0.000 0.957 9 K CA -0.689 55.514 56.287 -0.140 0.000 0.842 9 K CB 1.962 34.359 32.500 -0.173 0.000 1.099 9 K HN 0.664 nan 8.250 nan 0.000 0.438 10 A N 1.161 123.880 122.820 -0.168 0.000 2.378 10 A HA 0.243 4.563 4.320 -0.000 0.000 0.293 10 A C 1.555 178.967 177.584 -0.287 0.000 1.250 10 A CA -0.083 51.852 52.037 -0.171 0.000 0.915 10 A CB 0.690 19.639 19.000 -0.084 0.000 1.402 10 A HN 0.774 nan 8.150 nan 0.000 0.502 11 S N -1.851 113.689 115.700 -0.267 0.000 2.429 11 S HA -0.256 4.214 4.470 -0.000 0.000 0.251 11 S C 0.536 174.930 174.600 -0.343 0.000 1.104 11 S CA 2.459 60.438 58.200 -0.369 0.000 1.130 11 S CB -0.558 62.639 63.200 -0.005 0.000 1.000 11 S HN 1.027 nan 8.310 nan 0.000 0.449 12 Y N 2.005 122.175 120.300 -0.216 0.000 2.409 12 Y HA 0.593 5.143 4.550 -0.000 0.000 0.343 12 Y C -2.481 173.343 175.900 -0.127 0.000 0.973 12 Y CA -2.281 55.740 58.100 -0.132 0.000 1.064 12 Y CB 2.093 40.528 38.460 -0.042 0.000 1.207 12 Y HN -0.018 nan 8.280 nan 0.000 0.452 13 P HA 0.045 nan 4.420 nan 0.000 0.249 13 P C 0.879 177.950 177.300 -0.381 0.000 1.583 13 P CA 0.083 62.687 63.100 -0.827 0.000 0.988 13 P CB 0.376 31.527 31.700 -0.916 0.000 1.530 14 L N 0.660 121.627 121.223 -0.428 0.000 1.978 14 L HA -0.168 4.172 4.340 -0.000 0.000 0.218 14 L C 1.621 178.293 176.870 -0.329 0.000 1.075 14 L CA 2.207 56.776 54.840 -0.452 0.000 0.767 14 L CB -1.441 40.150 42.059 -0.781 0.000 0.890 14 L HN -0.136 nan 8.230 nan 0.000 0.434 15 F N -0.245 119.563 119.950 -0.236 0.000 2.754 15 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 15 F C 1.724 177.545 175.800 0.035 0.000 1.234 15 F CA 0.378 58.268 58.000 -0.184 0.000 1.460 15 F CB -1.101 37.792 39.000 -0.179 0.000 1.120 15 F HN 0.130 nan 8.300 nan 0.000 0.592 16 L N -1.362 119.956 121.223 0.157 0.000 2.616 16 L HA 0.140 4.480 4.340 -0.000 0.000 0.229 16 L C 0.211 177.161 176.870 0.134 0.000 1.110 16 L CA -0.135 54.786 54.840 0.135 0.000 0.884 16 L CB -0.209 41.886 42.059 0.060 0.000 1.115 16 L HN -0.180 nan 8.230 nan 0.000 0.481 17 D N 0.510 121.019 120.400 0.181 0.000 2.455 17 D HA -0.042 4.598 4.640 -0.000 0.000 0.241 17 D C 1.026 177.422 176.300 0.160 0.000 1.138 17 D CA 0.286 54.387 54.000 0.168 0.000 0.877 17 D CB 1.123 42.069 40.800 0.242 0.000 1.187 17 D HN -0.084 nan 8.370 nan 0.000 0.451 18 Q N 2.095 121.947 119.800 0.086 0.000 2.082 18 Q HA -0.240 4.100 4.340 -0.000 0.000 0.211 18 Q C 1.175 177.203 176.000 0.045 0.000 1.002 18 Q CA 2.195 58.033 55.803 0.060 0.000 0.868 18 Q CB -0.083 28.673 28.738 0.030 0.000 0.931 18 Q HN 0.635 nan 8.270 nan 0.000 0.414 19 D N -1.274 119.125 120.400 -0.003 0.000 2.104 19 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 19 D C 1.779 178.034 176.300 -0.075 0.000 0.994 19 D CA 1.548 55.497 54.000 -0.084 0.000 0.830 19 D CB -1.052 39.632 40.800 -0.194 0.000 0.959 19 D HN 0.377 nan 8.370 nan 0.000 0.452 20 Y N 1.582 121.935 120.300 0.088 0.000 2.224 20 Y HA -0.115 4.435 4.550 -0.000 0.000 0.289 20 Y C 2.481 178.427 175.900 0.076 0.000 1.146 20 Y CA 0.889 59.058 58.100 0.115 0.000 1.182 20 Y CB -0.159 38.448 38.460 0.245 0.000 0.983 20 Y HN -0.107 nan 8.280 nan 0.000 0.524 21 K N 0.136 120.664 120.400 0.213 0.000 1.985 21 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 21 K C 1.502 178.152 176.600 0.084 0.000 1.047 21 K CA 1.708 58.075 56.287 0.134 0.000 0.932 21 K CB -0.756 31.806 32.500 0.105 0.000 0.716 21 K HN 0.354 nan 8.250 nan 0.000 0.439 22 D N 0.679 121.114 120.400 0.057 0.000 2.309 22 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 22 D C 1.802 178.121 176.300 0.031 0.000 0.968 22 D CA 0.533 54.552 54.000 0.032 0.000 0.882 22 D CB 0.006 40.815 40.800 0.014 0.000 0.918 22 D HN 0.122 nan 8.370 nan 0.000 0.503 23 M N 0.473 120.098 119.600 0.042 0.000 2.073 23 M HA -0.085 4.395 4.480 -0.000 0.000 0.259 23 M C 2.154 178.490 176.300 0.060 0.000 1.079 23 M CA 1.091 56.417 55.300 0.044 0.000 1.131 23 M CB -0.498 32.135 32.600 0.055 0.000 1.316 23 M HN -0.034 nan 8.290 nan 0.000 0.415 24 L N 0.238 121.502 121.223 0.069 0.000 2.127 24 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 24 L C 2.667 179.562 176.870 0.042 0.000 1.089 24 L CA 1.024 55.892 54.840 0.046 0.000 0.757 24 L CB -1.149 40.926 42.059 0.027 0.000 0.899 24 L HN 0.368 nan 8.230 nan 0.000 0.434 25 A N 0.365 123.208 122.820 0.039 0.000 1.908 25 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 25 A C 2.389 179.980 177.584 0.012 0.000 1.181 25 A CA 1.686 53.737 52.037 0.024 0.000 0.627 25 A CB -0.317 18.697 19.000 0.022 0.000 0.818 25 A HN 0.321 nan 8.150 nan 0.000 0.445 26 K N -0.417 119.995 120.400 0.020 0.000 1.985 26 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 26 K C 2.241 178.851 176.600 0.018 0.000 1.047 26 K CA 1.578 57.869 56.287 0.005 0.000 0.932 26 K CB -0.280 32.241 32.500 0.035 0.000 0.716 26 K HN 0.519 nan 8.250 nan 0.000 0.439 27 K N 1.588 122.052 120.400 0.107 0.000 2.127 27 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 27 K C 2.233 178.911 176.600 0.130 0.000 1.047 27 K CA 1.574 57.986 56.287 0.209 0.000 0.927 27 K CB -0.063 32.530 32.500 0.155 0.000 0.716 27 K HN 0.058 nan 8.250 nan 0.000 0.450 28 R N 0.611 121.139 120.500 0.048 0.000 2.078 28 R HA -0.143 4.197 4.340 -0.000 0.000 0.224 28 R C 1.758 178.037 176.300 -0.036 0.000 1.149 28 R CA 2.168 58.279 56.100 0.019 0.000 0.916 28 R CB -0.425 29.882 30.300 0.013 0.000 0.821 28 R HN 0.254 nan 8.270 nan 0.000 0.434 29 D N -0.389 119.973 120.400 -0.064 0.000 2.133 29 D HA -0.174 4.466 4.640 -0.000 0.000 0.192 29 D C 1.768 177.939 176.300 -0.214 0.000 1.001 29 D CA 1.743 55.678 54.000 -0.108 0.000 0.844 29 D CB -0.663 40.080 40.800 -0.095 0.000 0.944 29 D HN 0.610 nan 8.370 nan 0.000 0.447 30 G N -0.337 108.253 108.800 -0.351 0.000 2.421 30 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 30 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 30 G C 1.039 175.290 174.900 -1.082 0.000 1.171 30 G CA 0.671 45.268 45.100 -0.839 0.000 0.775 30 G HN 0.316 nan 8.290 nan 0.000 0.543 31 F N -0.690 119.252 119.950 -0.013 0.000 2.871 31 F HA 0.380 4.907 4.527 -0.000 0.000 0.344 31 F C 2.056 177.846 175.800 -0.016 0.000 1.078 31 F CA -0.395 57.596 58.000 -0.015 0.000 1.149 31 F CB 0.460 39.452 39.000 -0.013 0.000 1.087 31 F HN 0.055 nan 8.300 nan 0.000 0.557 32 E N 1.133 121.396 120.200 0.105 0.000 2.216 32 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 32 E C 0.036 176.648 176.600 0.021 0.000 0.988 32 E CA 0.657 57.097 56.400 0.067 0.000 0.834 32 E CB -0.141 29.591 29.700 0.054 0.000 0.772 32 E HN 0.347 nan 8.360 nan 0.000 0.479 33 E N 1.243 121.432 120.200 -0.018 0.000 2.228 33 E HA -0.235 4.115 4.350 -0.000 0.000 0.213 33 E C -0.201 176.356 176.600 -0.072 0.000 1.282 33 E CA 0.349 56.714 56.400 -0.060 0.000 0.707 33 E CB -1.223 28.442 29.700 -0.059 0.000 1.150 33 E HN 0.152 nan 8.360 nan 0.000 0.362 34 K N 0.906 121.287 120.400 -0.031 0.000 2.185 34 K HA 0.216 4.536 4.320 -0.000 0.000 0.271 34 K C -0.437 176.168 176.600 0.008 0.000 1.013 34 K CA -0.485 55.817 56.287 0.025 0.000 0.943 34 K CB 0.544 33.078 32.500 0.055 0.000 0.998 34 K HN 0.028 nan 8.250 nan 0.000 0.468 35 Y N 3.301 123.604 120.300 0.005 0.000 2.620 35 Y HA 0.040 4.590 4.550 -0.000 0.000 0.330 35 Y C -1.706 174.198 175.900 0.006 0.000 1.186 35 Y CA -1.212 56.891 58.100 0.006 0.000 1.467 35 Y CB 0.098 38.566 38.460 0.013 0.000 1.262 35 Y HN 0.581 nan 8.280 nan 0.000 0.550 36 P HA -0.144 nan 4.420 nan 0.000 0.261 36 P C 0.360 177.718 177.300 0.095 0.000 1.165 36 P CA 0.289 63.436 63.100 0.077 0.000 0.759 36 P CB 0.687 32.421 31.700 0.056 0.000 0.772 37 Q N 3.809 123.650 119.800 0.068 0.000 2.028 37 Q HA -0.310 4.030 4.340 -0.000 0.000 0.213 37 Q C 1.210 177.249 176.000 0.066 0.000 1.017 37 Q CA 2.442 58.283 55.803 0.063 0.000 0.875 37 Q CB -0.942 27.823 28.738 0.045 0.000 0.962 37 Q HN 0.477 nan 8.270 nan 0.000 0.413 38 D N -0.629 119.803 120.400 0.054 0.000 2.311 38 D HA -0.225 4.415 4.640 -0.000 0.000 0.204 38 D C 1.569 177.903 176.300 0.056 0.000 1.000 38 D CA 1.583 55.612 54.000 0.048 0.000 0.910 38 D CB -0.067 40.755 40.800 0.037 0.000 0.900 38 D HN 0.202 nan 8.370 nan 0.000 0.463 39 K N 0.916 121.360 120.400 0.073 0.000 2.078 39 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 39 K C 2.161 178.795 176.600 0.057 0.000 1.043 39 K CA 0.305 56.633 56.287 0.068 0.000 0.960 39 K CB -0.354 32.221 32.500 0.125 0.000 0.761 39 K HN 0.042 nan 8.250 nan 0.000 0.448 40 I N 1.332 121.944 120.570 0.071 0.000 2.194 40 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 40 I C 1.174 177.369 176.117 0.129 0.000 1.093 40 I CA 1.846 63.191 61.300 0.076 0.000 1.355 40 I CB -0.400 37.644 38.000 0.074 0.000 1.046 40 I HN 0.245 nan 8.210 nan 0.000 0.413 41 D N 0.155 120.622 120.400 0.111 0.000 2.178 41 D HA -0.187 4.453 4.640 -0.000 0.000 0.202 41 D C 2.047 178.435 176.300 0.146 0.000 0.974 41 D CA 0.874 54.951 54.000 0.128 0.000 0.841 41 D CB -0.039 40.804 40.800 0.071 0.000 0.953 41 D HN 0.400 nan 8.370 nan 0.000 0.478 42 E N 0.321 120.580 120.200 0.098 0.000 2.008 42 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 42 E C 2.033 178.699 176.600 0.110 0.000 0.986 42 E CA 0.800 57.243 56.400 0.072 0.000 0.807 42 E CB 0.093 29.808 29.700 0.024 0.000 0.766 42 E HN 0.001 nan 8.360 nan 0.000 0.450 43 V N 1.391 121.369 119.914 0.108 0.000 2.282 43 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 43 V C 2.192 178.421 176.094 0.225 0.000 1.057 43 V CA 2.191 64.602 62.300 0.184 0.000 1.032 43 V CB -0.818 31.076 31.823 0.119 0.000 0.645 43 V HN 0.356 nan 8.190 nan 0.000 0.447 44 F N 0.805 120.782 119.950 0.046 0.000 2.011 44 F HA -0.278 4.249 4.527 -0.000 0.000 0.296 44 F C 2.691 178.414 175.800 -0.127 0.000 1.144 44 F CA 2.449 60.436 58.000 -0.022 0.000 1.185 44 F CB -0.722 38.306 39.000 0.047 0.000 0.961 44 F HN 0.037 nan 8.300 nan 0.000 0.485 45 Q N -0.256 119.516 119.800 -0.046 0.000 2.197 45 Q HA -0.315 4.025 4.340 -0.000 0.000 0.211 45 Q C 2.027 177.848 176.000 -0.297 0.000 0.993 45 Q CA 2.429 58.092 55.803 -0.232 0.000 0.883 45 Q CB -1.217 27.508 28.738 -0.022 0.000 0.916 45 Q HN 0.747 nan 8.270 nan 0.000 0.418 46 W N 1.254 122.365 121.300 -0.314 0.000 2.333 46 W HA -0.229 4.431 4.660 -0.000 0.000 0.316 46 W C 2.341 178.596 176.519 -0.440 0.000 1.215 46 W CA 3.160 60.347 57.345 -0.264 0.000 1.278 46 W CB -1.050 28.330 29.460 -0.133 0.000 1.154 46 W HN 0.287 nan 8.180 nan 0.000 0.486 47 T N -2.202 111.775 114.554 -0.962 0.000 2.897 47 T HA -0.235 4.115 4.350 -0.000 0.000 0.271 47 T C 1.553 175.539 174.700 -1.190 0.000 1.084 47 T CA 2.076 63.185 62.100 -1.653 0.000 1.123 47 T CB -1.300 66.710 68.868 -1.430 0.000 0.865 47 T HN 0.322 nan 8.240 nan 0.000 0.496 48 T N 0.278 114.120 114.554 -1.186 0.000 3.129 48 T HA 0.166 4.516 4.350 -0.000 0.000 0.251 48 T C 0.886 175.176 174.700 -0.684 0.000 1.117 48 T CA 0.199 61.470 62.100 -1.382 0.000 1.034 48 T CB -0.759 67.079 68.868 -1.716 0.000 0.968 48 T HN 0.684 nan 8.240 nan 0.000 0.526 49 T N -1.162 113.104 114.554 -0.479 0.000 2.902 49 T HA 0.484 4.834 4.350 -0.000 0.000 0.280 49 T C 1.020 175.638 174.700 -0.137 0.000 0.992 49 T CA -0.771 61.184 62.100 -0.241 0.000 1.015 49 T CB 1.839 70.622 68.868 -0.143 0.000 1.044 49 T HN 0.005 nan 8.240 nan 0.000 0.520 50 K N 0.306 120.663 120.400 -0.072 0.000 2.155 50 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 50 K C 2.079 178.665 176.600 -0.024 0.000 1.052 50 K CA 1.645 57.907 56.287 -0.041 0.000 0.948 50 K CB -0.471 32.013 32.500 -0.027 0.000 0.728 50 K HN 0.811 nan 8.250 nan 0.000 0.448 51 E N -0.966 119.234 120.200 0.000 0.000 2.051 51 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 51 E C 1.723 178.325 176.600 0.003 0.000 0.991 51 E CA 1.142 57.567 56.400 0.042 0.000 0.799 51 E CB -0.309 29.474 29.700 0.137 0.000 0.748 51 E HN 0.467 nan 8.360 nan 0.000 0.449 52 Y N 1.571 121.716 120.300 -0.259 0.000 2.224 52 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 52 Y C 2.488 178.263 175.900 -0.207 0.000 1.146 52 Y CA 2.292 60.122 58.100 -0.450 0.000 1.182 52 Y CB -0.201 37.762 38.460 -0.828 0.000 0.983 52 Y HN 0.143 nan 8.280 nan 0.000 0.524 53 Q N 0.288 120.085 119.800 -0.005 0.000 2.002 53 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 53 Q C 2.073 178.128 176.000 0.091 0.000 0.988 53 Q CA 2.402 58.247 55.803 0.070 0.000 0.843 53 Q CB -0.218 28.526 28.738 0.010 0.000 0.908 53 Q HN 0.609 nan 8.270 nan 0.000 0.420 54 E N 0.222 120.429 120.200 0.011 0.000 2.086 54 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 54 E C 2.130 178.755 176.600 0.042 0.000 1.012 54 E CA 1.718 58.135 56.400 0.029 0.000 0.812 54 E CB -0.267 29.437 29.700 0.007 0.000 0.743 54 E HN 0.426 nan 8.360 nan 0.000 0.453 55 L N 0.995 122.189 121.223 -0.048 0.000 2.083 55 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 55 L C 2.472 179.263 176.870 -0.131 0.000 1.083 55 L CA 0.731 55.512 54.840 -0.099 0.000 0.752 55 L CB -0.606 41.345 42.059 -0.180 0.000 0.899 55 L HN 0.189 nan 8.230 nan 0.000 0.433 56 N N 0.777 119.367 118.700 -0.182 0.000 2.106 56 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 56 N C 1.713 177.248 175.510 0.043 0.000 1.029 56 N CA 1.550 54.523 53.050 -0.129 0.000 0.848 56 N CB -0.195 38.239 38.487 -0.089 0.000 1.007 56 N HN 0.136 nan 8.380 nan 0.000 0.423 57 F N 1.429 121.412 119.950 0.055 0.000 2.641 57 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 57 F C 2.090 177.939 175.800 0.082 0.000 1.146 57 F CA 0.662 58.744 58.000 0.137 0.000 1.464 57 F CB -0.062 38.990 39.000 0.086 0.000 1.101 57 F HN 0.185 nan 8.300 nan 0.000 0.585 58 Q N -0.515 119.377 119.800 0.152 0.000 2.403 58 Q HA 0.044 4.384 4.340 -0.000 0.000 0.203 58 Q C 0.642 176.671 176.000 0.047 0.000 0.932 58 Q CA -0.094 55.762 55.803 0.088 0.000 0.945 58 Q CB 0.162 28.933 28.738 0.056 0.000 1.045 58 Q HN 0.244 nan 8.270 nan 0.000 0.511 59 R N 0.741 121.264 120.500 0.037 0.000 2.640 59 R HA -0.050 4.290 4.340 -0.000 0.000 0.270 59 R C 0.586 176.903 176.300 0.027 0.000 1.024 59 R CA 0.712 56.818 56.100 0.010 0.000 1.085 59 R CB 0.484 30.773 30.300 -0.019 0.000 0.963 59 R HN 0.273 nan 8.270 nan 0.000 0.426 60 E N 1.124 121.331 120.200 0.011 0.000 2.713 60 E HA 0.059 4.409 4.350 -0.000 0.000 0.201 60 E C 1.229 177.835 176.600 0.010 0.000 0.935 60 E CA 0.435 56.844 56.400 0.016 0.000 1.273 60 E CB 0.237 29.945 29.700 0.014 0.000 1.221 60 E HN 0.659 nan 8.360 nan 0.000 0.547 61 A N 0.913 123.731 122.820 -0.004 0.000 2.030 61 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 61 A C 0.930 178.502 177.584 -0.021 0.000 1.164 61 A CA 0.043 52.074 52.037 -0.010 0.000 0.697 61 A CB 0.051 19.041 19.000 -0.016 0.000 0.827 61 A HN 0.144 nan 8.150 nan 0.000 0.457 62 L N 0.738 121.939 121.223 -0.038 0.000 2.326 62 L HA 0.519 4.859 4.340 -0.000 0.000 0.278 62 L C -0.782 176.046 176.870 -0.069 0.000 1.092 62 L CA 0.613 55.413 54.840 -0.066 0.000 0.810 62 L CB 1.588 43.587 42.059 -0.100 0.000 1.153 62 L HN 0.062 nan 8.230 nan 0.000 0.439 63 T N 4.248 118.755 114.554 -0.078 0.000 2.881 63 T HA 0.532 4.882 4.350 -0.000 0.000 0.291 63 T C -0.993 173.630 174.700 -0.129 0.000 0.990 63 T CA -0.400 61.657 62.100 -0.070 0.000 0.976 63 T CB 1.467 70.341 68.868 0.010 0.000 0.970 63 T HN 0.308 nan 8.240 nan 0.000 0.438 64 V N 4.807 124.616 119.914 -0.175 0.000 2.378 64 V HA 0.410 4.530 4.120 -0.000 0.000 0.288 64 V C -0.308 175.718 176.094 -0.113 0.000 1.016 64 V CA -1.013 61.161 62.300 -0.210 0.000 0.840 64 V CB 1.014 32.596 31.823 -0.402 0.000 0.994 64 V HN 1.006 nan 8.190 nan 0.000 0.431 65 N N 3.866 122.494 118.700 -0.120 0.000 2.568 65 N HA -0.113 4.627 4.740 -0.000 0.000 0.277 65 N C -2.213 173.223 175.510 -0.124 0.000 1.200 65 N CA 0.378 53.357 53.050 -0.118 0.000 0.702 65 N CB -0.712 37.752 38.487 -0.039 0.000 0.889 65 N HN 0.487 nan 8.380 nan 0.000 0.546 66 P HA 0.263 nan 4.420 nan 0.000 0.282 66 P C -0.268 177.067 177.300 0.058 0.000 1.286 66 P CA -0.151 62.995 63.100 0.077 0.000 0.777 66 P CB 0.736 32.517 31.700 0.135 0.000 1.184 67 A N -0.424 122.586 122.820 0.316 0.000 2.676 67 A HA 0.339 4.659 4.320 -0.000 0.000 0.258 67 A C 0.131 177.875 177.584 0.267 0.000 0.898 67 A CA -0.325 51.856 52.037 0.240 0.000 1.087 67 A CB -0.163 18.965 19.000 0.214 0.000 1.214 67 A HN 0.585 nan 8.150 nan 0.000 0.474 68 K N -1.445 119.048 120.400 0.155 0.000 2.555 68 K HA 0.891 5.211 4.320 -0.000 0.000 0.279 68 K C -0.595 176.036 176.600 0.051 0.000 0.986 68 K CA -0.434 55.934 56.287 0.136 0.000 0.880 68 K CB 1.647 34.135 32.500 -0.020 0.000 1.474 68 K HN 0.543 nan 8.250 nan 0.000 0.433 69 A N 0.296 123.177 122.820 0.102 0.000 2.437 69 A HA 0.724 5.044 4.320 -0.000 0.000 0.288 69 A C -0.204 177.420 177.584 0.067 0.000 1.201 69 A CA -0.618 51.405 52.037 -0.022 0.000 0.795 69 A CB 0.620 19.521 19.000 -0.166 0.000 1.359 69 A HN 1.067 nan 8.150 nan 0.000 0.435 70 C N -1.240 118.079 119.300 0.031 0.000 2.480 70 C HA 0.459 4.919 4.460 -0.000 0.000 0.358 70 C C 1.549 176.565 174.990 0.043 0.000 1.309 70 C CA -0.248 58.788 59.018 0.029 0.000 2.465 70 C CB -0.137 27.620 27.740 0.029 0.000 2.379 70 C HN 0.959 nan 8.230 nan 0.000 0.642 71 Q N 1.847 121.639 119.800 -0.012 0.000 1.998 71 Q HA -0.148 4.192 4.340 -0.000 0.000 0.209 71 Q C -0.177 175.816 176.000 -0.011 0.000 1.002 71 Q CA 2.735 58.527 55.803 -0.018 0.000 0.858 71 Q CB -1.303 27.402 28.738 -0.055 0.000 0.932 71 Q HN 0.761 nan 8.270 nan 0.000 0.416 72 P HA -0.240 nan 4.420 nan 0.000 0.218 72 P C 1.503 178.587 177.300 -0.361 0.000 1.154 72 P CA 1.244 64.236 63.100 -0.181 0.000 0.872 72 P CB -0.182 31.447 31.700 -0.117 0.000 0.790 73 L N 0.169 121.187 121.223 -0.342 0.000 2.089 73 L HA -0.110 4.230 4.340 -0.000 0.000 0.213 73 L C 2.472 179.497 176.870 0.258 0.000 1.079 73 L CA 2.612 57.340 54.840 -0.186 0.000 0.758 73 L CB -1.571 40.506 42.059 0.030 0.000 0.891 73 L HN 0.010 nan 8.230 nan 0.000 0.433 74 G N -1.953 107.013 108.800 0.278 0.000 2.494 74 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 74 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 74 G C 1.558 176.697 174.900 0.398 0.000 1.140 74 G CA 0.496 45.918 45.100 0.536 0.000 0.801 74 G HN 0.617 nan 8.290 nan 0.000 0.536 75 A N 0.362 123.277 122.820 0.158 0.000 1.898 75 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 75 A C 2.551 180.167 177.584 0.053 0.000 1.181 75 A CA 1.596 53.662 52.037 0.047 0.000 0.620 75 A CB -0.581 18.413 19.000 -0.010 0.000 0.819 75 A HN 0.199 nan 8.150 nan 0.000 0.442 76 V N -0.189 119.770 119.914 0.076 0.000 2.223 76 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 76 V C 2.457 178.663 176.094 0.187 0.000 1.045 76 V CA 2.098 64.472 62.300 0.122 0.000 1.000 76 V CB -0.850 31.053 31.823 0.134 0.000 0.635 76 V HN 0.605 nan 8.190 nan 0.000 0.445 77 L N 0.095 121.508 121.223 0.318 0.000 2.010 77 L HA -0.274 4.066 4.340 -0.000 0.000 0.219 77 L C 2.513 179.495 176.870 0.185 0.000 1.077 77 L CA 2.636 57.594 54.840 0.197 0.000 0.773 77 L CB -1.147 41.114 42.059 0.337 0.000 0.892 77 L HN 0.556 nan 8.230 nan 0.000 0.436 78 C N -0.621 118.763 119.300 0.140 0.000 2.393 78 C HA -0.226 4.234 4.460 -0.000 0.000 0.276 78 C C 3.023 178.055 174.990 0.070 0.000 1.215 78 C CA 1.273 60.158 59.018 -0.221 0.000 1.743 78 C CB -1.537 25.620 27.740 -0.972 0.000 2.044 78 C HN 0.735 nan 8.230 nan 0.000 0.464 79 A N 0.020 122.896 122.820 0.093 0.000 1.986 79 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 79 A C 2.121 179.876 177.584 0.286 0.000 1.171 79 A CA 1.938 54.097 52.037 0.203 0.000 0.640 79 A CB -0.788 18.261 19.000 0.081 0.000 0.811 79 A HN 0.731 nan 8.150 nan 0.000 0.451 80 L N -0.696 120.614 121.223 0.145 0.000 2.353 80 L HA -0.112 4.228 4.340 -0.000 0.000 0.220 80 L C 2.331 179.203 176.870 0.003 0.000 1.133 80 L CA 0.626 55.511 54.840 0.076 0.000 0.798 80 L CB -0.378 41.673 42.059 -0.013 0.000 0.922 80 L HN 0.499 nan 8.230 nan 0.000 0.445 81 G N -0.868 107.889 108.800 -0.072 0.000 3.124 81 G HA2 0.039 3.999 3.960 -0.000 0.000 0.212 81 G HA3 0.039 3.999 3.960 -0.000 0.000 0.212 81 G C 0.005 174.517 174.900 -0.647 0.000 1.181 81 G CA -0.205 44.667 45.100 -0.381 0.000 0.803 81 G HN 0.105 nan 8.290 nan 0.000 0.529 82 F N -0.206 119.731 119.950 -0.021 0.000 2.507 82 F HA 0.366 4.893 4.527 -0.000 0.000 0.325 82 F C 0.413 176.199 175.800 -0.023 0.000 1.116 82 F CA -1.719 56.266 58.000 -0.026 0.000 0.930 82 F CB 1.519 40.502 39.000 -0.028 0.000 1.146 82 F HN 0.003 nan 8.300 nan 0.000 0.447 83 E N 3.643 123.903 120.200 0.101 0.000 2.829 83 E HA -0.136 4.214 4.350 -0.000 0.000 0.264 83 E C 0.082 176.677 176.600 -0.008 0.000 0.922 83 E CA 0.341 56.758 56.400 0.028 0.000 0.960 83 E CB 0.275 29.970 29.700 -0.009 0.000 0.918 83 E HN 0.633 nan 8.360 nan 0.000 0.497 84 K N 2.113 122.451 120.400 -0.104 0.000 3.139 84 K HA -0.215 4.105 4.320 -0.000 0.000 0.261 84 K C -0.729 175.724 176.600 -0.245 0.000 0.895 84 K CA 0.985 56.985 56.287 -0.477 0.000 0.664 84 K CB -1.546 30.647 32.500 -0.512 0.000 1.388 84 K HN 0.467 nan 8.250 nan 0.000 0.472 85 T N 0.961 115.564 114.554 0.082 0.000 2.829 85 T HA 0.451 4.801 4.350 -0.000 0.000 0.282 85 T C -0.152 174.731 174.700 0.305 0.000 0.990 85 T CA -0.703 61.486 62.100 0.148 0.000 1.028 85 T CB 1.286 70.256 68.868 0.169 0.000 0.951 85 T HN 0.170 nan 8.240 nan 0.000 0.460 86 M N 4.941 124.706 119.600 0.275 0.000 2.114 86 M HA 0.454 4.934 4.480 -0.000 0.000 0.332 86 M C -2.832 173.601 176.300 0.222 0.000 1.014 86 M CA -2.647 52.833 55.300 0.299 0.000 0.956 86 M CB 1.240 34.053 32.600 0.355 0.000 1.551 86 M HN 0.113 nan 8.290 nan 0.000 0.427 87 P HA 0.067 nan 4.420 nan 0.000 0.267 87 P C -2.008 175.424 177.300 0.221 0.000 1.209 87 P CA 0.369 63.569 63.100 0.168 0.000 0.763 87 P CB -0.012 31.773 31.700 0.141 0.000 0.816 88 Y N 4.483 124.831 120.300 0.080 0.000 2.326 88 Y HA 0.426 4.976 4.550 -0.000 0.000 0.331 88 Y C -1.057 174.901 175.900 0.096 0.000 0.962 88 Y CA -1.000 57.159 58.100 0.098 0.000 1.167 88 Y CB 1.255 39.770 38.460 0.093 0.000 1.148 88 Y HN 0.036 nan 8.280 nan 0.000 0.463 89 V N 6.477 126.466 119.914 0.125 0.000 2.294 89 V HA 0.118 4.238 4.120 -0.000 0.000 0.272 89 V C -0.360 175.819 176.094 0.141 0.000 1.027 89 V CA -0.793 61.611 62.300 0.174 0.000 0.823 89 V CB 0.223 32.161 31.823 0.193 0.000 1.030 89 V HN 0.762 nan 8.190 nan 0.000 0.457 90 H N 4.178 123.360 119.070 0.186 0.000 3.232 90 H HA 0.546 5.102 4.556 -0.000 0.000 0.254 90 H C 0.452 175.819 175.328 0.065 0.000 1.213 90 H CA 1.095 57.242 56.048 0.165 0.000 1.503 90 H CB -0.114 29.747 29.762 0.165 0.000 1.563 90 H HN 0.905 nan 8.280 nan 0.000 0.490 91 G N 1.905 110.577 108.800 -0.214 0.000 2.356 91 G HA2 0.160 4.120 3.960 -0.000 0.000 0.281 91 G HA3 0.160 4.120 3.960 -0.000 0.000 0.281 91 G C -0.924 173.909 174.900 -0.112 0.000 1.246 91 G CA -0.430 44.545 45.100 -0.209 0.000 0.889 91 G HN 0.674 nan 8.290 nan 0.000 0.486 92 S N -0.092 115.566 115.700 -0.071 0.000 2.572 92 S HA 0.265 4.735 4.470 -0.000 0.000 0.279 92 S C 1.423 176.000 174.600 -0.037 0.000 1.341 92 S CA 0.716 58.887 58.200 -0.048 0.000 1.043 92 S CB 1.478 64.653 63.200 -0.042 0.000 0.887 92 S HN 1.045 nan 8.310 nan 0.000 0.516 93 Q N 2.450 122.232 119.800 -0.030 0.000 2.172 93 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 93 Q C 1.907 177.892 176.000 -0.026 0.000 0.964 93 Q CA 1.203 56.992 55.803 -0.024 0.000 0.855 93 Q CB -1.034 27.693 28.738 -0.017 0.000 0.918 93 Q HN 0.858 nan 8.270 nan 0.000 0.444 94 G N 1.215 110.001 108.800 -0.023 0.000 2.475 94 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 94 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 94 G C 1.374 176.265 174.900 -0.016 0.000 1.125 94 G CA 1.073 46.175 45.100 0.004 0.000 0.755 94 G HN 0.503 nan 8.290 nan 0.000 0.565 95 C N -0.016 119.201 119.300 -0.140 0.000 2.442 95 C HA -0.035 4.425 4.460 -0.000 0.000 0.279 95 C C 2.987 177.546 174.990 -0.717 0.000 1.237 95 C CA 0.703 59.453 59.018 -0.447 0.000 1.722 95 C CB -1.124 26.424 27.740 -0.319 0.000 2.056 95 C HN 0.304 nan 8.230 nan 0.000 0.469 96 V N 1.937 121.728 119.914 -0.205 0.000 2.453 96 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 96 V C 2.709 178.824 176.094 0.034 0.000 1.068 96 V CA 2.180 64.557 62.300 0.128 0.000 1.070 96 V CB -1.486 30.433 31.823 0.160 0.000 0.664 96 V HN 0.636 nan 8.190 nan 0.000 0.461 97 A N -0.652 122.134 122.820 -0.057 0.000 1.851 97 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 97 A C 2.072 179.581 177.584 -0.125 0.000 1.195 97 A CA 2.221 54.205 52.037 -0.088 0.000 0.622 97 A CB -0.889 18.027 19.000 -0.141 0.000 0.831 97 A HN 0.552 nan 8.150 nan 0.000 0.444 98 Y N -1.261 118.913 120.300 -0.210 0.000 2.181 98 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 98 Y C 2.251 178.142 175.900 -0.014 0.000 1.146 98 Y CA 1.513 59.516 58.100 -0.162 0.000 1.164 98 Y CB -0.534 37.751 38.460 -0.292 0.000 0.982 98 Y HN 0.317 nan 8.280 nan 0.000 0.515 99 F N 0.277 120.332 119.950 0.175 0.000 2.025 99 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 99 F C 2.367 178.293 175.800 0.210 0.000 1.132 99 F CA 1.476 59.556 58.000 0.133 0.000 1.191 99 F CB -1.325 37.771 39.000 0.161 0.000 0.963 99 F HN -0.072 nan 8.300 nan 0.000 0.481 100 R N -0.144 120.613 120.500 0.427 0.000 2.097 100 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 100 R C 2.442 178.916 176.300 0.289 0.000 1.135 100 R CA 1.767 58.078 56.100 0.352 0.000 0.934 100 R CB -1.257 29.168 30.300 0.209 0.000 0.846 100 R HN 0.245 nan 8.270 nan 0.000 0.431 101 S N -0.079 115.718 115.700 0.161 0.000 2.400 101 S HA -0.260 4.210 4.470 -0.000 0.000 0.234 101 S C 1.766 176.453 174.600 0.145 0.000 1.049 101 S CA 1.513 59.758 58.200 0.075 0.000 1.039 101 S CB -0.318 62.840 63.200 -0.069 0.000 0.856 101 S HN 0.389 nan 8.310 nan 0.000 0.465 102 Y N 0.742 121.092 120.300 0.083 0.000 2.092 102 Y HA 0.005 4.555 4.550 -0.000 0.000 0.282 102 Y C 1.935 177.986 175.900 0.251 0.000 1.126 102 Y CA 1.650 59.806 58.100 0.094 0.000 1.111 102 Y CB -1.000 37.498 38.460 0.062 0.000 0.987 102 Y HN 0.298 nan 8.280 nan 0.000 0.489 103 F N 1.007 121.256 119.950 0.497 0.000 2.120 103 F HA -0.294 4.233 4.527 -0.000 0.000 0.300 103 F C 2.244 178.268 175.800 0.373 0.000 1.095 103 F CA 1.556 59.857 58.000 0.503 0.000 1.249 103 F CB -1.176 38.181 39.000 0.596 0.000 0.995 103 F HN 0.188 nan 8.300 nan 0.000 0.480 104 N N 0.457 119.417 118.700 0.433 0.000 2.069 104 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 104 N C 1.932 177.512 175.510 0.116 0.000 1.031 104 N CA 1.412 54.602 53.050 0.234 0.000 0.852 104 N CB -0.537 38.022 38.487 0.119 0.000 1.018 104 N HN 0.333 nan 8.380 nan 0.000 0.423 105 R N -0.354 120.164 120.500 0.031 0.000 2.152 105 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 105 R C 1.912 178.317 176.300 0.174 0.000 1.117 105 R CA 1.055 57.099 56.100 -0.093 0.000 0.981 105 R CB -0.278 29.634 30.300 -0.647 0.000 0.870 105 R HN 0.439 nan 8.270 nan 0.000 0.451 106 H N -0.879 118.281 119.070 0.150 0.000 2.465 106 H HA 0.049 4.605 4.556 -0.000 0.000 0.289 106 H C 0.981 176.065 175.328 -0.407 0.000 1.022 106 H CA 1.092 57.087 56.048 -0.090 0.000 1.340 106 H CB 0.244 29.889 29.762 -0.194 0.000 1.437 106 H HN 0.038 nan 8.280 nan 0.000 0.539 107 F N 0.142 119.957 119.950 -0.226 0.000 2.678 107 F HA 0.317 4.844 4.527 -0.000 0.000 0.291 107 F C 0.570 176.072 175.800 -0.496 0.000 1.123 107 F CA 0.170 57.813 58.000 -0.593 0.000 1.395 107 F CB 0.255 39.161 39.000 -0.157 0.000 1.121 107 F HN -0.108 nan 8.300 nan 0.000 0.592 108 R N 1.693 122.151 120.500 -0.069 0.000 3.146 108 R HA -0.156 4.184 4.340 -0.000 0.000 0.250 108 R C -1.172 175.147 176.300 0.033 0.000 0.912 108 R CA 0.410 56.470 56.100 -0.066 0.000 0.633 108 R CB -1.788 28.408 30.300 -0.173 0.000 1.180 108 R HN 0.180 nan 8.270 nan 0.000 0.464 109 E N -1.018 119.229 120.200 0.077 0.000 2.416 109 E HA 0.326 4.676 4.350 -0.000 0.000 0.280 109 E C -2.778 173.864 176.600 0.071 0.000 1.055 109 E CA -2.107 54.340 56.400 0.078 0.000 0.825 109 E CB 1.609 31.361 29.700 0.086 0.000 1.312 109 E HN -0.119 nan 8.360 nan 0.000 0.452 110 P HA 0.250 nan 4.420 nan 0.000 0.287 110 P C -0.617 176.733 177.300 0.084 0.000 1.281 110 P CA -0.417 62.699 63.100 0.028 0.000 0.781 110 P CB 0.690 32.351 31.700 -0.066 0.000 0.903 111 V N 4.145 124.125 119.914 0.111 0.000 2.333 111 V HA 0.172 4.292 4.120 -0.000 0.000 0.274 111 V C 0.131 176.290 176.094 0.109 0.000 1.028 111 V CA -0.061 62.326 62.300 0.145 0.000 0.851 111 V CB 0.929 32.926 31.823 0.291 0.000 1.000 111 V HN 0.502 nan 8.190 nan 0.000 0.456 112 S N 4.349 120.086 115.700 0.062 0.000 2.452 112 S HA 0.596 5.066 4.470 -0.000 0.000 0.284 112 S C -0.384 174.232 174.600 0.026 0.000 1.171 112 S CA -0.502 57.696 58.200 -0.003 0.000 1.064 112 S CB 1.070 64.207 63.200 -0.105 0.000 0.967 112 S HN 0.885 nan 8.310 nan 0.000 0.484 113 C N 3.764 123.077 119.300 0.021 0.000 3.181 113 C HA 0.725 5.185 4.460 -0.000 0.000 0.362 113 C C -0.656 174.353 174.990 0.032 0.000 1.125 113 C CA -0.460 58.602 59.018 0.073 0.000 1.265 113 C CB 0.313 28.154 27.740 0.169 0.000 1.632 113 C HN 0.916 nan 8.230 nan 0.000 0.525 114 V N 2.276 122.207 119.914 0.028 0.000 3.158 114 V HA 1.004 5.124 4.120 -0.000 0.000 0.315 114 V C -0.414 175.601 176.094 -0.132 0.000 1.148 114 V CA -0.219 62.060 62.300 -0.034 0.000 1.042 114 V CB 1.772 33.586 31.823 -0.016 0.000 1.101 114 V HN 1.285 nan 8.190 nan 0.000 0.448 115 S N 0.112 115.699 115.700 -0.188 0.000 2.540 115 S HA 0.487 4.957 4.470 -0.000 0.000 0.275 115 S C -0.793 173.651 174.600 -0.260 0.000 1.123 115 S CA -0.018 58.033 58.200 -0.248 0.000 0.907 115 S CB 1.676 64.828 63.200 -0.080 0.000 1.081 115 S HN 1.179 nan 8.310 nan 0.000 0.476 116 D N 2.152 122.378 120.400 -0.289 0.000 2.676 116 D HA 0.154 4.794 4.640 -0.000 0.000 0.239 116 D C 0.168 176.465 176.300 -0.005 0.000 1.213 116 D CA -0.280 53.678 54.000 -0.071 0.000 0.835 116 D CB -0.718 40.180 40.800 0.163 0.000 1.009 116 D HN 0.361 nan 8.370 nan 0.000 0.479 117 S N 0.274 115.954 115.700 -0.033 0.000 3.349 117 S HA -0.270 4.200 4.470 -0.000 0.000 0.214 117 S C 0.486 175.084 174.600 -0.004 0.000 0.578 117 S CA 0.296 58.487 58.200 -0.016 0.000 1.380 117 S CB -1.303 61.896 63.200 -0.002 0.000 0.888 117 S HN 0.530 nan 8.310 nan 0.000 0.349 118 M N 1.879 121.465 119.600 -0.023 0.000 2.243 118 M HA 0.215 4.695 4.480 -0.000 0.000 0.341 118 M C 1.206 177.499 176.300 -0.010 0.000 1.130 118 M CA 0.153 55.444 55.300 -0.015 0.000 1.162 118 M CB 0.681 33.238 32.600 -0.070 0.000 1.497 118 M HN 0.642 nan 8.290 nan 0.000 0.456 119 T N -2.566 111.992 114.554 0.007 0.000 2.598 119 T HA 0.285 4.635 4.350 -0.000 0.000 0.254 119 T C 0.763 175.466 174.700 0.004 0.000 0.889 119 T CA -0.825 61.278 62.100 0.005 0.000 1.091 119 T CB 0.933 69.808 68.868 0.013 0.000 1.437 119 T HN 0.729 nan 8.240 nan 0.000 0.542 120 E N 0.873 121.075 120.200 0.004 0.000 2.047 120 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 120 E C 1.361 177.962 176.600 0.003 0.000 0.987 120 E CA 1.550 57.949 56.400 -0.002 0.000 0.799 120 E CB -0.329 29.370 29.700 -0.003 0.000 0.752 120 E HN 0.742 nan 8.360 nan 0.000 0.449 121 D N -0.110 120.304 120.400 0.023 0.000 2.411 121 D HA -0.137 4.503 4.640 -0.000 0.000 0.226 121 D C 0.830 177.173 176.300 0.072 0.000 0.988 121 D CA 0.953 54.983 54.000 0.049 0.000 0.938 121 D CB 0.122 40.962 40.800 0.065 0.000 0.883 121 D HN 0.207 nan 8.370 nan 0.000 0.525 122 A N -0.686 122.161 122.820 0.045 0.000 2.508 122 A HA 0.630 4.950 4.320 -0.000 0.000 0.250 122 A C 1.918 179.513 177.584 0.018 0.000 1.208 122 A CA 0.261 52.340 52.037 0.070 0.000 0.960 122 A CB 0.268 19.320 19.000 0.086 0.000 1.099 122 A HN 0.245 nan 8.150 nan 0.000 0.542 123 A N 0.148 122.949 122.820 -0.031 0.000 2.239 123 A HA 0.264 4.584 4.320 -0.000 0.000 0.209 123 A C 1.746 179.256 177.584 -0.123 0.000 1.171 123 A CA 1.670 53.675 52.037 -0.054 0.000 0.768 123 A CB -0.579 18.391 19.000 -0.050 0.000 0.790 123 A HN 1.054 nan 8.150 nan 0.000 0.478 124 V N -6.035 113.732 119.914 -0.246 0.000 2.911 124 V HA 0.323 4.443 4.120 -0.000 0.000 0.237 124 V C 1.118 176.865 176.094 -0.579 0.000 1.156 124 V CA 0.275 62.255 62.300 -0.535 0.000 1.180 124 V CB -0.795 30.444 31.823 -0.974 0.000 0.932 124 V HN 0.233 nan 8.190 nan 0.000 0.483 125 F N 2.629 122.616 119.950 0.061 0.000 2.925 125 F HA 0.803 5.330 4.527 -0.000 0.000 0.302 125 F C 1.552 177.421 175.800 0.115 0.000 1.189 125 F CA -0.477 57.566 58.000 0.071 0.000 1.346 125 F CB -0.215 38.812 39.000 0.044 0.000 0.954 125 F HN 0.452 nan 8.300 nan 0.000 0.506 126 G N 1.031 109.964 108.800 0.221 0.000 2.574 126 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.295 126 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.295 126 G C 0.810 175.902 174.900 0.320 0.000 1.300 126 G CA -0.097 45.179 45.100 0.293 0.000 0.944 126 G HN 0.878 nan 8.290 nan 0.000 0.551 127 G N -1.945 107.155 108.800 0.501 0.000 4.864 127 G HA2 0.464 4.424 3.960 -0.000 0.000 0.280 127 G HA3 0.464 4.424 3.960 -0.000 0.000 0.280 127 G C 0.687 175.875 174.900 0.480 0.000 1.239 127 G CA 1.169 46.527 45.100 0.429 0.000 0.951 127 G HN 0.730 nan 8.290 nan 0.000 0.583 128 Q N 0.031 119.941 119.800 0.183 0.000 2.443 128 Q HA -0.094 4.246 4.340 -0.000 0.000 0.213 128 Q C 2.116 178.038 176.000 -0.130 0.000 0.982 128 Q CA 1.562 57.149 55.803 -0.360 0.000 0.894 128 Q CB 0.150 28.483 28.738 -0.675 0.000 0.947 128 Q HN 0.567 nan 8.270 nan 0.000 0.480 129 Q N -0.805 118.986 119.800 -0.014 0.000 2.287 129 Q HA 0.094 4.434 4.340 -0.000 0.000 0.201 129 Q C 1.192 177.169 176.000 -0.038 0.000 0.946 129 Q CA 1.292 57.054 55.803 -0.068 0.000 0.868 129 Q CB -0.062 28.659 28.738 -0.029 0.000 0.967 129 Q HN 0.418 nan 8.270 nan 0.000 0.516 130 N N -0.150 118.601 118.700 0.085 0.000 2.334 130 N HA -0.165 4.575 4.740 -0.000 0.000 0.187 130 N C 1.227 176.838 175.510 0.169 0.000 1.016 130 N CA 1.512 54.639 53.050 0.127 0.000 0.879 130 N CB -0.153 38.447 38.487 0.189 0.000 0.965 130 N HN 0.296 nan 8.380 nan 0.000 0.438 131 M N 0.702 120.402 119.600 0.166 0.000 2.134 131 M HA 0.037 4.517 4.480 -0.000 0.000 0.262 131 M C 1.506 177.767 176.300 -0.065 0.000 1.076 131 M CA 1.465 56.834 55.300 0.115 0.000 1.143 131 M CB -0.012 32.652 32.600 0.108 0.000 1.346 131 M HN -0.128 nan 8.290 nan 0.000 0.421 132 K N 0.325 120.573 120.400 -0.252 0.000 1.977 132 K HA -0.211 4.109 4.320 -0.000 0.000 0.218 132 K C 1.803 177.957 176.600 -0.745 0.000 1.051 132 K CA 2.036 57.897 56.287 -0.711 0.000 0.953 132 K CB -0.703 31.082 32.500 -1.192 0.000 0.727 132 K HN 0.399 nan 8.250 nan 0.000 0.445 133 D N -0.108 119.941 120.400 -0.586 0.000 2.104 133 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 133 D C 1.990 178.261 176.300 -0.049 0.000 0.994 133 D CA 1.549 55.393 54.000 -0.260 0.000 0.830 133 D CB -0.647 40.080 40.800 -0.121 0.000 0.959 133 D HN 0.418 nan 8.370 nan 0.000 0.452 134 G N 1.576 110.396 108.800 0.033 0.000 2.586 134 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 134 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 134 G C 1.832 176.895 174.900 0.271 0.000 1.216 134 G CA 0.769 45.990 45.100 0.202 0.000 0.786 134 G HN 0.266 nan 8.290 nan 0.000 0.583 135 L N 0.179 121.512 121.223 0.183 0.000 2.081 135 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 135 L C 3.014 179.940 176.870 0.094 0.000 1.080 135 L CA 1.808 56.709 54.840 0.102 0.000 0.754 135 L CB -0.498 41.545 42.059 -0.026 0.000 0.893 135 L HN 0.434 nan 8.230 nan 0.000 0.433 136 Q N 0.194 120.046 119.800 0.086 0.000 2.016 136 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 136 Q C 2.065 178.104 176.000 0.066 0.000 0.978 136 Q CA 1.537 57.392 55.803 0.088 0.000 0.833 136 Q CB 0.075 28.929 28.738 0.193 0.000 0.895 136 Q HN 0.490 nan 8.270 nan 0.000 0.427 137 N N 0.649 119.399 118.700 0.084 0.000 2.036 137 N HA -0.225 4.515 4.740 -0.000 0.000 0.195 137 N C 2.049 177.608 175.510 0.082 0.000 1.037 137 N CA 1.500 54.592 53.050 0.069 0.000 0.855 137 N CB -1.049 37.487 38.487 0.082 0.000 1.033 137 N HN 0.392 nan 8.380 nan 0.000 0.423 138 C N 1.947 121.353 119.300 0.175 0.000 2.388 138 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 138 C C 2.728 177.836 174.990 0.195 0.000 1.210 138 C CA 1.192 60.372 59.018 0.271 0.000 1.743 138 C CB -1.035 26.943 27.740 0.396 0.000 2.047 138 C HN 0.474 nan 8.230 nan 0.000 0.458 139 K N 0.244 120.710 120.400 0.109 0.000 2.113 139 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 139 K C 1.949 178.522 176.600 -0.045 0.000 1.047 139 K CA 1.886 58.161 56.287 -0.021 0.000 0.928 139 K CB -0.353 31.971 32.500 -0.293 0.000 0.716 139 K HN 0.596 nan 8.250 nan 0.000 0.446 140 A N -0.219 122.574 122.820 -0.045 0.000 2.072 140 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 140 A C 1.913 179.446 177.584 -0.085 0.000 1.156 140 A CA 1.275 53.277 52.037 -0.059 0.000 0.701 140 A CB -0.151 18.820 19.000 -0.047 0.000 0.816 140 A HN 0.352 nan 8.150 nan 0.000 0.458 141 T N -1.514 112.953 114.554 -0.145 0.000 2.866 141 T HA 0.027 4.377 4.350 -0.000 0.000 0.250 141 T C 0.982 175.410 174.700 -0.453 0.000 1.033 141 T CA 1.175 63.047 62.100 -0.380 0.000 1.145 141 T CB -0.297 68.178 68.868 -0.655 0.000 0.866 141 T HN 0.508 nan 8.240 nan 0.000 0.434 142 Y N 1.393 121.773 120.300 0.133 0.000 2.493 142 Y HA 0.395 4.945 4.550 -0.000 0.000 0.275 142 Y C 0.556 176.601 175.900 0.241 0.000 1.183 142 Y CA -0.950 57.266 58.100 0.194 0.000 1.258 142 Y CB -0.655 37.938 38.460 0.223 0.000 1.108 142 Y HN 0.075 nan 8.280 nan 0.000 0.521 143 K N 1.130 121.647 120.400 0.194 0.000 3.985 143 K HA -0.212 4.108 4.320 -0.000 0.000 0.274 143 K C -2.640 174.031 176.600 0.117 0.000 0.799 143 K CA -0.007 56.354 56.287 0.124 0.000 0.661 143 K CB -1.141 31.401 32.500 0.069 0.000 1.778 143 K HN 0.325 nan 8.250 nan 0.000 0.429 144 P HA 0.109 nan 4.420 nan 0.000 0.278 144 P C -0.179 177.200 177.300 0.132 0.000 1.266 144 P CA -0.320 62.786 63.100 0.010 0.000 0.807 144 P CB 0.866 32.696 31.700 0.216 0.000 1.094 145 D N -0.790 119.599 120.400 -0.018 0.000 2.301 145 D HA 0.146 4.786 4.640 -0.000 0.000 0.206 145 D C 0.706 176.931 176.300 -0.125 0.000 0.979 145 D CA 1.148 55.170 54.000 0.036 0.000 0.874 145 D CB 0.283 41.047 40.800 -0.060 0.000 0.968 145 D HN 0.316 nan 8.370 nan 0.000 0.510 146 M N 0.254 119.763 119.600 -0.152 0.000 2.465 146 M HA 0.380 4.860 4.480 -0.000 0.000 0.284 146 M C -2.081 174.141 176.300 -0.130 0.000 1.212 146 M CA -0.512 54.572 55.300 -0.361 0.000 0.910 146 M CB 2.481 34.937 32.600 -0.240 0.000 1.725 146 M HN -0.322 nan 8.290 nan 0.000 0.477 147 I N 3.436 123.891 120.570 -0.193 0.000 2.439 147 I HA 0.547 4.717 4.170 -0.000 0.000 0.283 147 I C -0.343 175.687 176.117 -0.146 0.000 1.023 147 I CA -0.803 60.486 61.300 -0.018 0.000 1.100 147 I CB 1.865 39.944 38.000 0.131 0.000 1.238 147 I HN 0.818 nan 8.210 nan 0.000 0.445 148 A N 6.701 129.467 122.820 -0.089 0.000 2.301 148 A HA 0.706 5.026 4.320 -0.000 0.000 0.298 148 A C -0.401 177.162 177.584 -0.036 0.000 1.185 148 A CA -0.378 51.575 52.037 -0.139 0.000 0.830 148 A CB 0.873 19.786 19.000 -0.145 0.000 1.112 148 A HN 0.467 nan 8.150 nan 0.000 0.508 149 V N 2.830 122.706 119.914 -0.063 0.000 2.435 149 V HA 0.567 4.687 4.120 -0.000 0.000 0.290 149 V C 0.293 176.418 176.094 0.050 0.000 1.030 149 V CA -0.121 62.194 62.300 0.025 0.000 0.881 149 V CB 1.558 33.321 31.823 -0.100 0.000 0.983 149 V HN 1.035 nan 8.190 nan 0.000 0.445 150 S N 2.169 117.936 115.700 0.112 0.000 2.810 150 S HA 0.867 5.337 4.470 -0.000 0.000 0.315 150 S C -0.180 174.474 174.600 0.090 0.000 1.138 150 S CA -0.723 57.509 58.200 0.053 0.000 0.889 150 S CB 2.283 65.503 63.200 0.034 0.000 1.236 150 S HN 0.916 nan 8.310 nan 0.000 0.548 151 T N -0.894 113.683 114.554 0.039 0.000 2.896 151 T HA 0.770 5.120 4.350 -0.000 0.000 0.297 151 T C -0.352 174.369 174.700 0.036 0.000 1.108 151 T CA -0.812 61.312 62.100 0.041 0.000 1.004 151 T CB 1.276 70.132 68.868 -0.020 0.000 1.159 151 T HN 0.716 nan 8.240 nan 0.000 0.499 152 T N -1.755 112.814 114.554 0.025 0.000 2.922 152 T HA 0.404 4.754 4.350 -0.000 0.000 0.281 152 T C 1.565 176.263 174.700 -0.003 0.000 1.005 152 T CA -0.539 61.584 62.100 0.038 0.000 0.982 152 T CB 0.468 69.362 68.868 0.043 0.000 1.158 152 T HN 0.826 nan 8.240 nan 0.000 0.566 153 C N 0.462 119.764 119.300 0.003 0.000 2.336 153 C HA -0.199 4.261 4.460 -0.000 0.000 0.275 153 C C 2.749 177.795 174.990 0.093 0.000 1.175 153 C CA 1.544 60.589 59.018 0.045 0.000 1.771 153 C CB -1.560 26.221 27.740 0.070 0.000 2.030 153 C HN 1.004 nan 8.230 nan 0.000 0.442 154 M N 1.661 121.288 119.600 0.045 0.000 2.539 154 M HA -0.288 4.192 4.480 -0.000 0.000 0.265 154 M C 2.422 178.740 176.300 0.030 0.000 1.064 154 M CA 2.944 58.261 55.300 0.029 0.000 1.077 154 M CB -0.703 31.888 32.600 -0.015 0.000 1.246 154 M HN 0.396 nan 8.290 nan 0.000 0.470 155 A N 0.061 122.864 122.820 -0.029 0.000 1.957 155 A HA -0.314 4.006 4.320 -0.000 0.000 0.224 155 A C 1.898 179.512 177.584 0.049 0.000 1.287 155 A CA 2.516 54.526 52.037 -0.044 0.000 0.682 155 A CB -1.239 17.700 19.000 -0.103 0.000 0.833 155 A HN 0.791 nan 8.150 nan 0.000 0.482 156 E N -0.807 119.451 120.200 0.097 0.000 2.076 156 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 156 E C 2.296 179.026 176.600 0.216 0.000 0.979 156 E CA 1.120 57.631 56.400 0.186 0.000 0.807 156 E CB -0.732 29.090 29.700 0.203 0.000 0.761 156 E HN 0.418 nan 8.360 nan 0.000 0.454 157 V N 2.724 122.771 119.914 0.223 0.000 2.287 157 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 157 V C 2.531 178.672 176.094 0.077 0.000 1.053 157 V CA 1.991 64.373 62.300 0.136 0.000 1.027 157 V CB -0.666 31.212 31.823 0.093 0.000 0.646 157 V HN 0.364 nan 8.190 nan 0.000 0.447 158 I N -0.497 120.113 120.570 0.067 0.000 3.291 158 I HA 0.326 4.496 4.170 -0.000 0.000 0.279 158 I C 1.100 177.263 176.117 0.077 0.000 1.294 158 I CA 0.668 61.999 61.300 0.052 0.000 1.428 158 I CB -1.021 37.002 38.000 0.037 0.000 1.070 158 I HN 0.362 nan 8.210 nan 0.000 0.478 159 G N 2.526 111.384 108.800 0.096 0.000 2.505 159 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.191 159 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.191 159 G C -0.996 173.967 174.900 0.104 0.000 0.542 159 G CA 0.135 45.301 45.100 0.111 0.000 0.917 159 G HN 0.568 nan 8.290 nan 0.000 0.336 160 D N 0.910 121.340 120.400 0.050 0.000 2.350 160 D HA 0.414 5.054 4.640 -0.000 0.000 0.245 160 D C -0.425 175.764 176.300 -0.186 0.000 1.036 160 D CA -0.486 53.419 54.000 -0.158 0.000 0.848 160 D CB 1.588 42.150 40.800 -0.398 0.000 1.307 160 D HN 0.291 nan 8.370 nan 0.000 0.469 161 D N 3.057 123.329 120.400 -0.214 0.000 2.422 161 D HA 0.089 4.729 4.640 -0.000 0.000 0.227 161 D C 1.445 177.623 176.300 -0.202 0.000 1.190 161 D CA -0.198 53.810 54.000 0.013 0.000 0.905 161 D CB 0.639 41.553 40.800 0.190 0.000 1.034 161 D HN 0.369 nan 8.370 nan 0.000 0.507 162 L N 3.385 124.483 121.223 -0.208 0.000 2.021 162 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 162 L C 2.213 178.779 176.870 -0.506 0.000 1.074 162 L CA 1.133 55.736 54.840 -0.394 0.000 0.760 162 L CB -0.574 41.338 42.059 -0.246 0.000 0.889 162 L HN 0.395 nan 8.230 nan 0.000 0.433 163 N N 0.062 118.426 118.700 -0.560 0.000 2.007 163 N HA -0.213 4.527 4.740 -0.000 0.000 0.197 163 N C 1.738 177.096 175.510 -0.253 0.000 1.050 163 N CA 1.989 54.621 53.050 -0.698 0.000 0.856 163 N CB -0.242 38.100 38.487 -0.241 0.000 1.050 163 N HN 0.314 nan 8.380 nan 0.000 0.423 164 A N 0.110 122.919 122.820 -0.018 0.000 1.837 164 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 164 A C 2.118 179.772 177.584 0.118 0.000 1.210 164 A CA 1.936 54.027 52.037 0.089 0.000 0.632 164 A CB -1.541 17.582 19.000 0.205 0.000 0.843 164 A HN 0.377 nan 8.150 nan 0.000 0.448 165 F N 0.005 119.877 119.950 -0.131 0.000 2.082 165 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 165 F C 2.259 177.956 175.800 -0.173 0.000 1.091 165 F CA 1.554 59.468 58.000 -0.144 0.000 1.230 165 F CB -0.909 37.969 39.000 -0.203 0.000 0.983 165 F HN 0.164 nan 8.300 nan 0.000 0.485 166 I N -0.307 120.235 120.570 -0.046 0.000 2.252 166 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 166 I C 2.005 178.080 176.117 -0.070 0.000 1.102 166 I CA 1.215 62.435 61.300 -0.133 0.000 1.385 166 I CB -0.505 37.319 38.000 -0.294 0.000 1.064 166 I HN 0.147 nan 8.210 nan 0.000 0.414 167 N N 1.258 119.915 118.700 -0.071 0.000 2.223 167 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 167 N C 1.443 176.951 175.510 -0.004 0.000 1.016 167 N CA 1.319 54.350 53.050 -0.031 0.000 0.863 167 N CB -0.601 37.867 38.487 -0.031 0.000 0.983 167 N HN 0.444 nan 8.380 nan 0.000 0.429 168 N N 0.038 118.735 118.700 -0.004 0.000 2.250 168 N HA 0.038 4.778 4.740 -0.000 0.000 0.181 168 N C 1.570 177.122 175.510 0.070 0.000 1.017 168 N CA 0.652 53.708 53.050 0.009 0.000 0.866 168 N CB -0.129 38.335 38.487 -0.038 0.000 0.985 168 N HN 0.008 nan 8.380 nan 0.000 0.429 169 S N 0.374 116.120 115.700 0.076 0.000 2.440 169 S HA -0.064 4.406 4.470 -0.000 0.000 0.238 169 S C 1.548 176.252 174.600 0.174 0.000 1.010 169 S CA 1.081 59.387 58.200 0.176 0.000 0.972 169 S CB -0.035 63.205 63.200 0.068 0.000 0.774 169 S HN 0.323 nan 8.310 nan 0.000 0.501 170 K N 1.021 121.473 120.400 0.086 0.000 2.099 170 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 170 K C 2.251 178.871 176.600 0.034 0.000 1.047 170 K CA 0.682 57.008 56.287 0.064 0.000 0.963 170 K CB -0.118 32.413 32.500 0.052 0.000 0.759 170 K HN 0.177 nan 8.250 nan 0.000 0.451 171 K N 1.652 122.068 120.400 0.026 0.000 2.009 171 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 171 K C 1.610 178.199 176.600 -0.018 0.000 1.049 171 K CA 1.814 58.103 56.287 0.003 0.000 0.929 171 K CB 0.010 32.512 32.500 0.003 0.000 0.714 171 K HN -0.116 nan 8.250 nan 0.000 0.440 172 E N -0.433 119.769 120.200 0.003 0.000 2.515 172 E HA 0.015 4.365 4.350 -0.000 0.000 0.201 172 E C 0.465 176.914 176.600 -0.253 0.000 1.071 172 E CA 0.862 57.221 56.400 -0.068 0.000 0.880 172 E CB -0.075 29.663 29.700 0.064 0.000 0.828 172 E HN 0.631 nan 8.360 nan 0.000 0.540 173 G N -0.487 108.217 108.800 -0.160 0.000 2.198 173 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 173 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 173 G C 0.504 175.230 174.900 -0.289 0.000 1.042 173 G CA 0.351 45.327 45.100 -0.206 0.000 0.791 173 G HN 0.335 nan 8.290 nan 0.000 0.502 174 F N 0.207 120.141 119.950 -0.028 0.000 2.512 174 F HA 0.363 4.890 4.527 -0.000 0.000 0.296 174 F C 1.707 177.476 175.800 -0.052 0.000 1.110 174 F CA 1.191 59.172 58.000 -0.031 0.000 1.446 174 F CB 0.247 39.236 39.000 -0.019 0.000 1.092 174 F HN 0.467 nan 8.300 nan 0.000 0.554 175 I N -4.295 116.331 120.570 0.094 0.000 2.775 175 I HA 0.456 4.626 4.170 -0.000 0.000 0.295 175 I C -2.933 173.194 176.117 0.017 0.000 1.287 175 I CA -2.570 58.730 61.300 -0.001 0.000 1.029 175 I CB 1.616 39.616 38.000 -0.001 0.000 1.282 175 I HN -0.381 nan 8.210 nan 0.000 0.426 176 P HA -0.069 nan 4.420 nan 0.000 0.269 176 P C -0.051 177.313 177.300 0.106 0.000 1.200 176 P CA 0.224 63.352 63.100 0.047 0.000 0.779 176 P CB 0.538 32.277 31.700 0.064 0.000 0.841 177 D N 0.616 121.065 120.400 0.083 0.000 2.348 177 D HA -0.071 4.569 4.640 -0.000 0.000 0.211 177 D C 0.358 176.720 176.300 0.105 0.000 0.998 177 D CA 0.760 54.809 54.000 0.082 0.000 0.873 177 D CB 0.384 41.210 40.800 0.043 0.000 0.925 177 D HN 0.366 nan 8.370 nan 0.000 0.524 178 E N -0.663 119.616 120.200 0.132 0.000 2.538 178 E HA 0.105 4.455 4.350 -0.000 0.000 0.207 178 E C -0.035 176.680 176.600 0.191 0.000 1.002 178 E CA -0.512 55.967 56.400 0.131 0.000 0.952 178 E CB -0.640 29.118 29.700 0.097 0.000 1.031 178 E HN 0.052 nan 8.360 nan 0.000 0.476 179 F N 4.892 124.882 119.950 0.067 0.000 2.506 179 F HA 0.255 4.782 4.527 -0.000 0.000 0.371 179 F C -2.014 173.827 175.800 0.069 0.000 1.078 179 F CA -3.312 54.722 58.000 0.057 0.000 1.195 179 F CB 0.638 39.653 39.000 0.025 0.000 1.099 179 F HN -0.136 nan 8.300 nan 0.000 0.548 180 P HA 0.019 nan 4.420 nan 0.000 0.266 180 P C -0.975 175.876 177.300 -0.748 0.000 1.215 180 P CA 0.225 63.066 63.100 -0.433 0.000 0.763 180 P CB 1.002 32.575 31.700 -0.212 0.000 0.806 181 V N 6.182 125.597 119.914 -0.831 0.000 2.564 181 V HA 0.200 4.320 4.120 -0.000 0.000 0.259 181 V C -1.900 173.692 176.094 -0.836 0.000 0.936 181 V CA -1.509 60.416 62.300 -0.625 0.000 0.867 181 V CB 1.407 33.065 31.823 -0.274 0.000 1.076 181 V HN 0.524 nan 8.190 nan 0.000 0.476 182 P HA 0.539 nan 4.420 nan 0.000 0.274 182 P C -0.938 176.271 177.300 -0.152 0.000 1.256 182 P CA -0.020 62.666 63.100 -0.691 0.000 0.795 182 P CB 1.409 32.672 31.700 -0.729 0.000 1.038 183 F N -3.000 116.761 119.950 -0.316 0.000 2.741 183 F HA 0.821 5.348 4.527 -0.000 0.000 0.313 183 F C -2.126 173.581 175.800 -0.153 0.000 1.153 183 F CA -1.741 56.125 58.000 -0.224 0.000 0.931 183 F CB 0.787 39.669 39.000 -0.198 0.000 1.335 183 F HN 0.601 nan 8.300 nan 0.000 0.460 184 A N 0.624 123.322 122.820 -0.203 0.000 2.582 184 A HA 0.528 4.848 4.320 -0.000 0.000 0.297 184 A C -2.041 175.513 177.584 -0.050 0.000 1.059 184 A CA -0.702 51.202 52.037 -0.222 0.000 0.705 184 A CB 0.807 19.680 19.000 -0.213 0.000 1.279 184 A HN 0.996 nan 8.150 nan 0.000 0.404 185 H N 1.515 120.549 119.070 -0.061 0.000 2.646 185 H HA 0.451 5.007 4.556 -0.000 0.000 0.325 185 H C -0.058 175.243 175.328 -0.045 0.000 1.075 185 H CA 1.081 57.122 56.048 -0.011 0.000 1.421 185 H CB 1.224 30.990 29.762 0.006 0.000 1.461 185 H HN 0.681 nan 8.280 nan 0.000 0.525 186 T N 1.136 115.701 114.554 0.018 0.000 3.317 186 T HA 0.191 4.541 4.350 -0.000 0.000 0.361 186 T C -2.873 171.748 174.700 -0.132 0.000 1.499 186 T CA -1.903 60.173 62.100 -0.041 0.000 1.529 186 T CB 0.878 69.725 68.868 -0.035 0.000 0.997 186 T HN 0.340 nan 8.240 nan 0.000 0.624 187 P HA 0.177 nan 4.420 nan 0.000 0.267 187 P C 0.922 177.823 177.300 -0.664 0.000 1.209 187 P CA 0.038 62.757 63.100 -0.636 0.000 0.763 187 P CB 1.325 32.538 31.700 -0.811 0.000 0.816 188 S N 3.165 118.506 115.700 -0.599 0.000 2.374 188 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 188 S C 1.277 175.719 174.600 -0.263 0.000 1.037 188 S CA 1.501 59.522 58.200 -0.299 0.000 1.024 188 S CB -0.983 62.139 63.200 -0.130 0.000 0.861 188 S HN 0.675 nan 8.310 nan 0.000 0.456 189 F N 1.261 121.212 119.950 0.002 0.000 2.738 189 F HA 0.424 4.951 4.527 -0.000 0.000 0.301 189 F C -0.141 175.654 175.800 -0.007 0.000 1.269 189 F CA -0.671 57.324 58.000 -0.008 0.000 1.441 189 F CB -0.991 38.006 39.000 -0.006 0.000 1.101 189 F HN -0.192 nan 8.300 nan 0.000 0.545 190 V N 0.415 120.308 119.914 -0.035 0.000 2.569 190 V HA 0.749 4.869 4.120 -0.000 0.000 0.301 190 V C 0.569 176.643 176.094 -0.034 0.000 1.044 190 V CA -0.797 61.515 62.300 0.020 0.000 0.874 190 V CB 0.694 32.524 31.823 0.012 0.000 1.002 190 V HN 0.689 nan 8.190 nan 0.000 0.424 191 G N 4.597 113.383 108.800 -0.023 0.000 2.791 191 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.256 191 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.256 191 G C 0.194 175.033 174.900 -0.102 0.000 1.380 191 G CA 0.138 45.200 45.100 -0.063 0.000 0.904 191 G HN 1.541 nan 8.290 nan 0.000 0.563 192 S N -1.345 114.257 115.700 -0.163 0.000 2.647 192 S HA 0.581 5.051 4.470 -0.000 0.000 0.284 192 S C 1.691 176.158 174.600 -0.222 0.000 1.134 192 S CA 0.585 58.675 58.200 -0.185 0.000 1.027 192 S CB 0.787 63.815 63.200 -0.287 0.000 1.180 192 S HN 1.470 nan 8.310 nan 0.000 0.521 193 H N 0.552 119.497 119.070 -0.207 0.000 2.387 193 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 193 H C 2.212 177.369 175.328 -0.284 0.000 1.090 193 H CA 1.834 57.741 56.048 -0.234 0.000 1.332 193 H CB -1.632 27.939 29.762 -0.319 0.000 1.386 193 H HN 0.511 nan 8.280 nan 0.000 0.516 194 V N -0.128 119.153 119.914 -1.055 0.000 2.392 194 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 194 V C 2.302 178.310 176.094 -0.143 0.000 1.059 194 V CA 2.276 64.154 62.300 -0.703 0.000 1.051 194 V CB -1.466 29.750 31.823 -1.011 0.000 0.658 194 V HN 0.349 nan 8.190 nan 0.000 0.455 195 T N 1.004 115.468 114.554 -0.151 0.000 2.788 195 T HA -0.014 4.336 4.350 -0.000 0.000 0.268 195 T C 1.907 176.650 174.700 0.073 0.000 1.044 195 T CA 1.768 63.867 62.100 -0.002 0.000 1.139 195 T CB -0.861 67.981 68.868 -0.043 0.000 0.867 195 T HN 0.762 nan 8.240 nan 0.000 0.454 196 G N -0.110 108.723 108.800 0.054 0.000 2.480 196 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 196 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 196 G C 1.295 176.313 174.900 0.196 0.000 1.200 196 G CA 0.813 45.967 45.100 0.089 0.000 0.782 196 G HN 0.555 nan 8.290 nan 0.000 0.554 197 W N 1.265 122.631 121.300 0.110 0.000 2.301 197 W HA -0.193 4.467 4.660 -0.000 0.000 0.325 197 W C 2.423 179.056 176.519 0.190 0.000 1.250 197 W CA 1.943 59.414 57.345 0.210 0.000 1.261 197 W CB -0.125 29.520 29.460 0.309 0.000 1.157 197 W HN 0.238 nan 8.180 nan 0.000 0.473 198 D N -0.200 120.552 120.400 0.587 0.000 2.177 198 D HA -0.274 4.366 4.640 -0.000 0.000 0.189 198 D C 1.641 178.079 176.300 0.231 0.000 1.002 198 D CA 2.257 56.498 54.000 0.403 0.000 0.845 198 D CB -0.732 40.213 40.800 0.241 0.000 0.960 198 D HN 0.124 nan 8.370 nan 0.000 0.447 199 N N -0.191 118.584 118.700 0.125 0.000 2.002 199 N HA -0.218 4.521 4.740 -0.000 0.000 0.199 199 N C 1.679 177.164 175.510 -0.043 0.000 1.060 199 N CA 1.644 54.704 53.050 0.018 0.000 0.867 199 N CB -0.713 37.773 38.487 -0.000 0.000 1.069 199 N HN 0.184 nan 8.380 nan 0.000 0.430 200 M N 0.107 119.675 119.600 -0.053 0.000 2.609 200 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 200 M C 1.844 178.027 176.300 -0.195 0.000 1.061 200 M CA 1.586 56.800 55.300 -0.143 0.000 1.068 200 M CB -1.104 31.410 32.600 -0.142 0.000 1.258 200 M HN 0.296 nan 8.290 nan 0.000 0.471 201 F N 0.705 120.462 119.950 -0.321 0.000 2.032 201 F HA -0.336 4.191 4.527 -0.000 0.000 0.297 201 F C 2.404 178.068 175.800 -0.227 0.000 1.125 201 F CA 2.766 60.590 58.000 -0.293 0.000 1.202 201 F CB -0.872 37.965 39.000 -0.272 0.000 0.958 201 F HN 0.382 nan 8.300 nan 0.000 0.491 202 E N 0.466 120.653 120.200 -0.023 0.000 2.065 202 E HA -0.263 4.087 4.350 -0.000 0.000 0.201 202 E C 2.445 178.738 176.600 -0.511 0.000 1.016 202 E CA 1.630 57.862 56.400 -0.279 0.000 0.818 202 E CB -1.143 28.451 29.700 -0.176 0.000 0.749 202 E HN 0.556 nan 8.360 nan 0.000 0.453 203 G N 1.072 109.623 108.800 -0.415 0.000 2.503 203 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.221 203 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.221 203 G C 1.762 176.380 174.900 -0.469 0.000 1.131 203 G CA 1.141 45.949 45.100 -0.487 0.000 0.756 203 G HN 0.322 nan 8.290 nan 0.000 0.572 204 I N 0.891 121.168 120.570 -0.488 0.000 2.406 204 I HA -0.006 4.164 4.170 -0.000 0.000 0.249 204 I C 3.250 179.186 176.117 -0.300 0.000 1.122 204 I CA 0.647 61.676 61.300 -0.451 0.000 1.431 204 I CB -0.241 37.393 38.000 -0.610 0.000 1.087 204 I HN 0.222 nan 8.210 nan 0.000 0.424 205 A N 1.362 123.902 122.820 -0.467 0.000 1.892 205 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 205 A C 2.402 179.893 177.584 -0.154 0.000 1.188 205 A CA 1.715 53.591 52.037 -0.269 0.000 0.631 205 A CB -0.630 18.028 19.000 -0.570 0.000 0.822 205 A HN 0.292 nan 8.150 nan 0.000 0.447 206 R N -2.256 117.931 120.500 -0.521 0.000 2.096 206 R HA -0.191 4.149 4.340 -0.000 0.000 0.229 206 R C 2.115 178.375 176.300 -0.067 0.000 1.134 206 R CA 1.815 57.742 56.100 -0.288 0.000 0.917 206 R CB -0.830 29.243 30.300 -0.379 0.000 0.832 206 R HN 0.603 nan 8.270 nan 0.000 0.430 207 Y N -0.032 120.087 120.300 -0.303 0.000 2.321 207 Y HA -0.279 4.271 4.550 -0.000 0.000 0.281 207 Y C 1.115 176.731 175.900 -0.473 0.000 1.200 207 Y CA 1.578 59.427 58.100 -0.419 0.000 1.269 207 Y CB 0.046 38.107 38.460 -0.665 0.000 0.972 207 Y HN 0.053 nan 8.280 nan 0.000 0.550 208 F N -2.458 117.529 119.950 0.061 0.000 2.706 208 F HA 0.159 4.686 4.527 -0.000 0.000 0.313 208 F C 1.699 177.549 175.800 0.084 0.000 1.096 208 F CA 0.726 58.752 58.000 0.043 0.000 1.219 208 F CB 0.186 39.228 39.000 0.069 0.000 1.051 208 F HN 0.030 nan 8.300 nan 0.000 0.568 209 T N -4.188 110.565 114.554 0.331 0.000 3.046 209 T HA 0.120 4.470 4.350 -0.000 0.000 0.270 209 T C 1.517 176.408 174.700 0.318 0.000 0.920 209 T CA 0.162 62.480 62.100 0.363 0.000 0.874 209 T CB -0.378 68.901 68.868 0.686 0.000 1.214 209 T HN 0.029 nan 8.240 nan 0.000 0.536 210 L N 1.917 123.306 121.223 0.277 0.000 1.961 210 L HA 0.268 4.608 4.340 -0.000 0.000 0.210 210 L C 1.344 178.278 176.870 0.106 0.000 1.072 210 L CA 1.701 56.670 54.840 0.215 0.000 0.749 210 L CB -0.449 41.708 42.059 0.162 0.000 0.889 210 L HN -0.024 nan 8.230 nan 0.000 0.432 211 K N 0.649 121.074 120.400 0.042 0.000 3.025 211 K HA 0.167 4.487 4.320 -0.000 0.000 0.260 211 K C 0.266 176.875 176.600 0.015 0.000 1.023 211 K CA 0.755 57.048 56.287 0.010 0.000 1.194 211 K CB -0.846 31.631 32.500 -0.039 0.000 1.094 211 K HN 0.551 nan 8.250 nan 0.000 0.460 212 S N -1.741 113.984 115.700 0.042 0.000 2.565 212 S HA 0.158 4.628 4.470 -0.000 0.000 0.207 212 S C 0.467 175.090 174.600 0.037 0.000 0.769 212 S CA -0.589 57.630 58.200 0.031 0.000 0.945 212 S CB -0.311 62.904 63.200 0.025 0.000 1.653 212 S HN -0.001 nan 8.310 nan 0.000 0.509 213 M N 1.702 121.329 119.600 0.046 0.000 2.561 213 M HA 0.169 4.649 4.480 -0.000 0.000 0.238 213 M C 0.707 177.019 176.300 0.020 0.000 1.131 213 M CA 0.397 55.721 55.300 0.041 0.000 1.046 213 M CB -0.926 31.711 32.600 0.062 0.000 1.532 213 M HN 0.453 nan 8.290 nan 0.000 0.497 214 D N 1.522 121.930 120.400 0.014 0.000 2.084 214 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 214 D C 0.989 177.289 176.300 -0.001 0.000 0.985 214 D CA 1.554 55.558 54.000 0.007 0.000 0.826 214 D CB -0.209 40.594 40.800 0.005 0.000 0.978 214 D HN 0.469 nan 8.370 nan 0.000 0.456 215 D N 0.491 120.888 120.400 -0.005 0.000 2.336 215 D HA -0.049 4.591 4.640 -0.000 0.000 0.229 215 D C 0.182 176.470 176.300 -0.020 0.000 1.061 215 D CA 0.232 54.225 54.000 -0.012 0.000 0.875 215 D CB -0.060 40.732 40.800 -0.014 0.000 0.904 215 D HN -0.058 nan 8.370 nan 0.000 0.525 216 K N 0.635 121.022 120.400 -0.020 0.000 2.172 216 K HA 0.462 4.782 4.320 -0.000 0.000 0.276 216 K C -0.449 176.139 176.600 -0.021 0.000 1.013 216 K CA -0.856 55.411 56.287 -0.034 0.000 0.913 216 K CB 2.585 35.056 32.500 -0.049 0.000 1.055 216 K HN -0.104 nan 8.250 nan 0.000 0.461 217 V N 2.310 122.208 119.914 -0.028 0.000 2.498 217 V HA 0.075 4.195 4.120 -0.000 0.000 0.283 217 V C 0.042 176.117 176.094 -0.031 0.000 1.015 217 V CA -1.252 61.035 62.300 -0.020 0.000 0.867 217 V CB 1.596 33.406 31.823 -0.023 0.000 1.025 217 V HN 0.469 nan 8.190 nan 0.000 0.441 218 V N 4.721 124.622 119.914 -0.023 0.000 2.742 218 V HA 0.193 4.313 4.120 -0.000 0.000 0.302 218 V C 1.681 177.719 176.094 -0.093 0.000 1.133 218 V CA 2.267 64.522 62.300 -0.074 0.000 1.284 218 V CB -0.013 31.759 31.823 -0.084 0.000 0.850 218 V HN 1.481 nan 8.190 nan 0.000 0.494 219 G N 3.798 112.527 108.800 -0.119 0.000 2.199 219 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 219 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 219 G C 1.042 175.904 174.900 -0.063 0.000 0.982 219 G CA 0.914 45.960 45.100 -0.091 0.000 0.632 219 G HN 1.316 nan 8.290 nan 0.000 0.529 220 S N 0.840 116.505 115.700 -0.058 0.000 2.465 220 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 220 S C 1.691 176.263 174.600 -0.046 0.000 1.000 220 S CA 1.839 60.011 58.200 -0.047 0.000 0.964 220 S CB -0.362 62.811 63.200 -0.045 0.000 0.763 220 S HN 1.229 nan 8.310 nan 0.000 0.512 221 N N -0.172 118.497 118.700 -0.050 0.000 2.220 221 N HA 0.196 4.936 4.740 -0.000 0.000 0.195 221 N C 0.006 175.492 175.510 -0.040 0.000 1.123 221 N CA -0.068 52.954 53.050 -0.046 0.000 0.874 221 N CB -0.170 38.287 38.487 -0.051 0.000 0.995 221 N HN 0.136 nan 8.380 nan 0.000 0.498 222 K N -1.030 119.346 120.400 -0.039 0.000 3.209 222 K HA -0.204 4.116 4.320 -0.000 0.000 0.289 222 K C -0.902 175.686 176.600 -0.021 0.000 1.191 222 K CA 0.919 57.187 56.287 -0.031 0.000 0.851 222 K CB -1.830 30.653 32.500 -0.028 0.000 1.242 222 K HN 0.479 nan 8.250 nan 0.000 0.480 223 K N -0.165 120.225 120.400 -0.016 0.000 2.306 223 K HA 0.653 4.973 4.320 -0.000 0.000 0.236 223 K C -0.193 176.429 176.600 0.037 0.000 1.013 223 K CA -1.002 55.292 56.287 0.011 0.000 0.857 223 K CB 1.729 34.229 32.500 0.001 0.000 1.214 223 K HN -0.043 nan 8.250 nan 0.000 0.449 224 I N 1.924 122.547 120.570 0.088 0.000 2.465 224 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 224 I C -0.598 175.625 176.117 0.178 0.000 1.014 224 I CA -1.068 60.298 61.300 0.110 0.000 1.093 224 I CB 1.744 39.795 38.000 0.085 0.000 1.267 224 I HN 0.444 nan 8.210 nan 0.000 0.431 225 N N 6.485 125.315 118.700 0.217 0.000 2.529 225 N HA 0.454 5.194 4.740 -0.000 0.000 0.278 225 N C -0.746 174.916 175.510 0.253 0.000 1.146 225 N CA -0.235 52.977 53.050 0.269 0.000 0.980 225 N CB 1.876 40.583 38.487 0.366 0.000 1.124 225 N HN 0.341 nan 8.380 nan 0.000 0.458 226 I N 2.010 122.732 120.570 0.253 0.000 2.447 226 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 226 I C -0.456 175.775 176.117 0.190 0.000 1.023 226 I CA -0.713 60.707 61.300 0.201 0.000 1.083 226 I CB 1.468 39.572 38.000 0.173 0.000 1.245 226 I HN 0.038 nan 8.210 nan 0.000 0.434 227 V N 8.936 128.917 119.914 0.112 0.000 2.313 227 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 227 V C -1.233 174.834 176.094 -0.046 0.000 1.017 227 V CA -1.022 61.293 62.300 0.025 0.000 0.823 227 V CB 1.497 33.204 31.823 -0.193 0.000 1.010 227 V HN 0.568 nan 8.190 nan 0.000 0.443 228 P HA 0.042 nan 4.420 nan 0.000 0.223 228 P C 0.898 177.955 177.300 -0.404 0.000 1.151 228 P CA 1.515 64.574 63.100 -0.068 0.000 0.787 228 P CB 0.549 32.396 31.700 0.246 0.000 0.788 229 G N 0.886 109.120 108.800 -0.943 0.000 2.598 229 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 229 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 229 G C -0.778 173.011 174.900 -1.853 0.000 1.302 229 G CA -0.196 43.806 45.100 -1.830 0.000 0.903 229 G HN 0.341 nan 8.290 nan 0.000 0.575 230 F N 2.262 121.497 119.950 -1.191 0.000 2.509 230 F HA 0.601 5.128 4.527 -0.000 0.000 0.350 230 F C 0.388 175.979 175.800 -0.349 0.000 1.220 230 F CA -0.016 57.569 58.000 -0.692 0.000 1.151 230 F CB 0.525 39.326 39.000 -0.330 0.000 1.379 230 F HN 0.598 nan 8.300 nan 0.000 0.610 231 E N 3.029 122.897 120.200 -0.554 0.000 2.171 231 E HA 0.273 4.623 4.350 -0.000 0.000 0.271 231 E C 0.255 176.552 176.600 -0.505 0.000 0.916 231 E CA -0.401 55.661 56.400 -0.564 0.000 0.774 231 E CB 1.472 30.729 29.700 -0.739 0.000 1.128 231 E HN 0.503 nan 8.360 nan 0.000 0.403 232 T N 1.000 115.284 114.554 -0.451 0.000 3.044 232 T HA 0.243 4.593 4.350 -0.000 0.000 0.260 232 T C 0.039 175.002 174.700 0.439 0.000 1.019 232 T CA -0.118 61.962 62.100 -0.033 0.000 0.921 232 T CB -0.265 68.406 68.868 -0.329 0.000 1.053 232 T HN 0.430 nan 8.240 nan 0.000 0.533 233 Y N 1.946 122.217 120.300 -0.048 0.000 2.491 233 Y HA 0.399 4.949 4.550 -0.000 0.000 0.334 233 Y C 1.299 177.171 175.900 -0.047 0.000 0.969 233 Y CA -1.403 56.697 58.100 0.001 0.000 1.241 233 Y CB 0.969 39.372 38.460 -0.096 0.000 1.105 233 Y HN -0.016 nan 8.280 nan 0.000 0.503 234 L N 2.597 123.969 121.223 0.249 0.000 1.976 234 L HA -0.296 4.044 4.340 -0.000 0.000 0.223 234 L C 2.518 179.455 176.870 0.112 0.000 1.081 234 L CA 1.869 56.847 54.840 0.230 0.000 0.784 234 L CB -0.874 41.257 42.059 0.120 0.000 0.896 234 L HN 0.856 nan 8.230 nan 0.000 0.438 235 G N -0.303 108.503 108.800 0.011 0.000 2.626 235 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.224 235 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.224 235 G C 1.378 176.264 174.900 -0.023 0.000 1.095 235 G CA 1.333 46.421 45.100 -0.021 0.000 0.738 235 G HN 0.378 nan 8.290 nan 0.000 0.600 236 N N 0.409 119.070 118.700 -0.064 0.000 2.081 236 N HA -0.056 4.684 4.740 -0.000 0.000 0.191 236 N C 1.926 177.368 175.510 -0.114 0.000 1.053 236 N CA 0.980 53.940 53.050 -0.150 0.000 0.846 236 N CB -0.710 37.604 38.487 -0.289 0.000 1.032 236 N HN 0.259 nan 8.380 nan 0.000 0.431 237 F N 2.054 121.980 119.950 -0.041 0.000 2.082 237 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 237 F C 2.497 178.258 175.800 -0.064 0.000 1.091 237 F CA 1.415 59.383 58.000 -0.053 0.000 1.230 237 F CB -0.721 38.258 39.000 -0.036 0.000 0.983 237 F HN 0.047 nan 8.300 nan 0.000 0.485 238 R N -0.180 120.414 120.500 0.157 0.000 2.096 238 R HA -0.154 4.186 4.340 -0.000 0.000 0.229 238 R C 2.254 178.552 176.300 -0.002 0.000 1.134 238 R CA 1.640 57.777 56.100 0.061 0.000 0.917 238 R CB -1.381 28.945 30.300 0.043 0.000 0.832 238 R HN 0.241 nan 8.270 nan 0.000 0.430 239 V N 1.877 121.773 119.914 -0.029 0.000 2.428 239 V HA -0.275 3.845 4.120 -0.000 0.000 0.255 239 V C 2.073 178.109 176.094 -0.095 0.000 1.080 239 V CA 1.697 63.960 62.300 -0.062 0.000 1.083 239 V CB -0.400 31.373 31.823 -0.083 0.000 0.665 239 V HN 0.270 nan 8.190 nan 0.000 0.461 240 I N -0.024 120.480 120.570 -0.110 0.000 2.113 240 I HA -0.205 3.965 4.170 -0.000 0.000 0.238 240 I C 2.494 178.492 176.117 -0.197 0.000 1.070 240 I CA 1.968 63.179 61.300 -0.148 0.000 1.332 240 I CB -1.453 36.469 38.000 -0.131 0.000 1.044 240 I HN 0.373 nan 8.210 nan 0.000 0.402 241 K N -0.005 120.263 120.400 -0.220 0.000 2.034 241 K HA -0.239 4.081 4.320 -0.000 0.000 0.214 241 K C 2.294 178.805 176.600 -0.149 0.000 1.051 241 K CA 1.392 57.475 56.287 -0.339 0.000 0.931 241 K CB -0.277 32.180 32.500 -0.071 0.000 0.715 241 K HN 0.168 nan 8.250 nan 0.000 0.446 242 R N 1.280 121.748 120.500 -0.055 0.000 2.080 242 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 242 R C 2.220 178.513 176.300 -0.013 0.000 1.137 242 R CA 1.880 57.974 56.100 -0.009 0.000 0.943 242 R CB -0.396 29.900 30.300 -0.007 0.000 0.846 242 R HN 0.269 nan 8.270 nan 0.000 0.431 243 M N 0.536 120.112 119.600 -0.040 0.000 2.065 243 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 243 M C 2.489 178.791 176.300 0.003 0.000 1.069 243 M CA 1.751 57.038 55.300 -0.021 0.000 1.110 243 M CB -0.438 32.137 32.600 -0.041 0.000 1.328 243 M HN 0.151 nan 8.290 nan 0.000 0.405 244 L N -0.709 120.497 121.223 -0.028 0.000 1.989 244 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 244 L C 2.604 179.535 176.870 0.102 0.000 1.071 244 L CA 1.272 56.118 54.840 0.010 0.000 0.749 244 L CB -0.814 41.177 42.059 -0.113 0.000 0.890 244 L HN 0.276 nan 8.230 nan 0.000 0.431 245 S N -0.764 115.023 115.700 0.145 0.000 2.400 245 S HA -0.246 4.224 4.470 -0.000 0.000 0.232 245 S C 1.843 176.503 174.600 0.100 0.000 1.025 245 S CA 1.405 59.719 58.200 0.190 0.000 0.993 245 S CB -0.241 63.082 63.200 0.205 0.000 0.808 245 S HN 0.430 nan 8.310 nan 0.000 0.478 246 E N 0.203 120.444 120.200 0.068 0.000 2.358 246 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 246 E C 1.739 178.367 176.600 0.047 0.000 1.010 246 E CA 0.382 56.812 56.400 0.050 0.000 0.856 246 E CB -0.022 29.701 29.700 0.038 0.000 0.795 246 E HN 0.478 nan 8.360 nan 0.000 0.504 247 M N -1.195 118.436 119.600 0.052 0.000 2.441 247 M HA 0.172 4.652 4.480 -0.000 0.000 0.244 247 M C 0.985 177.312 176.300 0.044 0.000 1.122 247 M CA 1.038 56.363 55.300 0.043 0.000 1.041 247 M CB 0.841 33.463 32.600 0.036 0.000 1.438 247 M HN 0.212 nan 8.290 nan 0.000 0.484 248 G N 0.942 109.777 108.800 0.058 0.000 2.148 248 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 248 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 248 G C -0.123 174.810 174.900 0.055 0.000 0.981 248 G CA 0.240 45.370 45.100 0.049 0.000 0.670 248 G HN 0.371 nan 8.290 nan 0.000 0.528 249 V N 0.681 120.646 119.914 0.085 0.000 2.546 249 V HA 0.643 4.763 4.120 -0.000 0.000 0.284 249 V C 1.269 177.449 176.094 0.143 0.000 1.050 249 V CA 0.140 62.498 62.300 0.096 0.000 0.981 249 V CB 1.596 33.476 31.823 0.095 0.000 0.990 249 V HN 0.716 nan 8.190 nan 0.000 0.474 250 G N 4.191 113.037 108.800 0.076 0.000 2.339 250 G HA2 0.531 4.491 3.960 -0.000 0.000 0.287 250 G HA3 0.531 4.491 3.960 -0.000 0.000 0.287 250 G C -0.927 174.022 174.900 0.082 0.000 1.163 250 G CA -0.177 44.931 45.100 0.013 0.000 0.872 250 G HN 0.812 nan 8.290 nan 0.000 0.464 251 Y N -0.489 119.824 120.300 0.021 0.000 2.605 251 Y HA 0.814 5.364 4.550 -0.000 0.000 0.343 251 Y C -0.230 175.695 175.900 0.042 0.000 1.036 251 Y CA -1.713 56.411 58.100 0.039 0.000 1.065 251 Y CB 1.948 40.441 38.460 0.055 0.000 1.288 251 Y HN 0.301 nan 8.280 nan 0.000 0.481 252 S N 2.440 118.298 115.700 0.263 0.000 2.389 252 S HA 0.280 4.750 4.470 -0.000 0.000 0.201 252 S C -1.608 173.156 174.600 0.275 0.000 1.422 252 S CA -0.521 57.785 58.200 0.176 0.000 1.216 252 S CB 0.114 63.377 63.200 0.104 0.000 1.130 252 S HN 0.654 nan 8.310 nan 0.000 0.465 253 L N 5.514 126.935 121.223 0.330 0.000 2.565 253 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 253 L C -0.616 176.366 176.870 0.188 0.000 1.137 253 L CA 0.443 55.434 54.840 0.251 0.000 0.915 253 L CB -0.188 42.001 42.059 0.217 0.000 1.232 253 L HN 0.543 nan 8.230 nan 0.000 0.473 254 L N 5.638 127.024 121.223 0.272 0.000 2.283 254 L HA 0.265 4.605 4.340 -0.000 0.000 0.287 254 L C 0.702 177.761 176.870 0.315 0.000 1.073 254 L CA -0.337 54.722 54.840 0.364 0.000 0.822 254 L CB 0.385 42.861 42.059 0.696 0.000 1.186 254 L HN 0.885 nan 8.230 nan 0.000 0.436 255 S N 2.471 118.091 115.700 -0.134 0.000 3.898 255 S HA -0.160 4.310 4.470 -0.000 0.000 0.688 255 S C -0.569 173.884 174.600 -0.244 0.000 0.563 255 S CA -0.131 57.815 58.200 -0.424 0.000 1.414 255 S CB -0.588 62.705 63.200 0.155 0.000 0.798 255 S HN 0.905 nan 8.310 nan 0.000 0.944 256 D N 4.567 124.714 120.400 -0.423 0.000 2.462 256 D HA 0.515 5.155 4.640 -0.000 0.000 0.249 256 D C -1.027 174.957 176.300 -0.526 0.000 1.117 256 D CA -1.881 51.827 54.000 -0.487 0.000 0.900 256 D CB 1.046 41.665 40.800 -0.301 0.000 1.039 256 D HN 0.240 nan 8.370 nan 0.000 0.516 257 P HA 0.025 nan 4.420 nan 0.000 0.262 257 P C 0.614 177.647 177.300 -0.446 0.000 1.304 257 P CA 0.185 63.013 63.100 -0.452 0.000 0.859 257 P CB 0.212 31.709 31.700 -0.338 0.000 1.310 258 E N 0.193 120.034 120.200 -0.597 0.000 2.455 258 E HA -0.182 4.168 4.350 -0.000 0.000 0.202 258 E C 1.472 177.977 176.600 -0.158 0.000 1.045 258 E CA 1.233 57.458 56.400 -0.292 0.000 0.872 258 E CB -0.342 29.230 29.700 -0.214 0.000 0.792 258 E HN 0.120 nan 8.360 nan 0.000 0.542 259 E N -0.007 120.093 120.200 -0.167 0.000 2.206 259 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 259 E C 1.905 178.456 176.600 -0.082 0.000 0.935 259 E CA 0.747 57.089 56.400 -0.097 0.000 0.875 259 E CB 0.006 29.659 29.700 -0.079 0.000 0.841 259 E HN 0.242 nan 8.360 nan 0.000 0.477 260 V N 1.282 121.134 119.914 -0.104 0.000 3.217 260 V HA 0.005 4.125 4.120 -0.000 0.000 0.264 260 V C 1.541 177.569 176.094 -0.110 0.000 1.135 260 V CA 0.708 62.961 62.300 -0.080 0.000 1.142 260 V CB -0.205 31.576 31.823 -0.070 0.000 0.754 260 V HN 0.149 nan 8.190 nan 0.000 0.484 261 L N -0.252 120.867 121.223 -0.173 0.000 2.628 261 L HA 0.346 4.686 4.340 -0.000 0.000 0.229 261 L C 0.486 177.309 176.870 -0.078 0.000 1.137 261 L CA 0.508 55.201 54.840 -0.244 0.000 0.909 261 L CB 0.132 41.881 42.059 -0.516 0.000 1.137 261 L HN 0.326 nan 8.230 nan 0.000 0.470 262 D N -0.481 119.898 120.400 -0.035 0.000 3.118 262 D HA -0.003 4.637 4.640 -0.000 0.000 0.352 262 D C 0.339 176.644 176.300 0.010 0.000 1.498 262 D CA -0.042 53.966 54.000 0.013 0.000 0.759 262 D CB 0.586 41.387 40.800 0.001 0.000 1.251 262 D HN -0.091 nan 8.370 nan 0.000 0.504 263 T N 0.532 115.098 114.554 0.021 0.000 2.930 263 T HA 0.343 4.693 4.350 -0.000 0.000 0.306 263 T C -2.018 172.706 174.700 0.039 0.000 1.045 263 T CA -0.964 61.154 62.100 0.030 0.000 1.134 263 T CB 0.952 69.854 68.868 0.056 0.000 0.961 263 T HN 0.032 nan 8.240 nan 0.000 0.545 264 P HA 0.384 nan 4.420 nan 0.000 0.276 264 P C -1.233 176.091 177.300 0.041 0.000 1.252 264 P CA -0.747 62.369 63.100 0.026 0.000 0.802 264 P CB 0.781 32.490 31.700 0.015 0.000 1.035 265 A N 1.493 124.333 122.820 0.034 0.000 2.774 265 A HA 0.326 4.646 4.320 -0.000 0.000 0.326 265 A C 0.162 177.767 177.584 0.034 0.000 1.478 265 A CA -0.364 51.697 52.037 0.040 0.000 1.099 265 A CB -1.063 17.957 19.000 0.032 0.000 1.148 265 A HN 0.569 nan 8.150 nan 0.000 0.519 266 D N 0.218 120.642 120.400 0.039 0.000 2.538 266 D HA 0.369 5.009 4.640 -0.000 0.000 0.231 266 D C 0.958 177.280 176.300 0.037 0.000 1.229 266 D CA 0.428 54.447 54.000 0.032 0.000 0.828 266 D CB 0.089 40.905 40.800 0.026 0.000 1.035 266 D HN 0.810 nan 8.370 nan 0.000 0.495 267 G N 0.411 109.238 108.800 0.046 0.000 2.213 267 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 267 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 267 G C -0.019 174.920 174.900 0.065 0.000 0.991 267 G CA 0.194 45.323 45.100 0.048 0.000 0.629 267 G HN 0.717 nan 8.290 nan 0.000 0.517 268 Q N -0.794 119.053 119.800 0.079 0.000 2.359 268 Q HA 0.737 5.077 4.340 -0.000 0.000 0.274 268 Q C -0.806 175.289 176.000 0.157 0.000 1.074 268 Q CA -1.334 54.529 55.803 0.100 0.000 0.810 268 Q CB 2.060 30.834 28.738 0.061 0.000 1.342 268 Q HN 0.577 nan 8.270 nan 0.000 0.427 269 F N 3.217 123.177 119.950 0.018 0.000 2.411 269 F HA 0.489 5.016 4.527 -0.000 0.000 0.350 269 F C -0.837 174.971 175.800 0.012 0.000 1.114 269 F CA -0.906 57.100 58.000 0.011 0.000 1.135 269 F CB 0.839 39.844 39.000 0.008 0.000 1.120 269 F HN 0.531 nan 8.300 nan 0.000 0.495 270 R N 7.889 128.102 120.500 -0.478 0.000 2.338 270 R HA 0.251 4.591 4.340 -0.000 0.000 0.317 270 R C 0.453 176.192 176.300 -0.935 0.000 0.968 270 R CA -0.619 55.149 56.100 -0.553 0.000 0.849 270 R CB 1.253 31.446 30.300 -0.177 0.000 1.128 270 R HN 0.988 nan 8.270 nan 0.000 0.448 271 M N 1.549 120.555 119.600 -0.990 0.000 2.509 271 M HA 0.142 4.622 4.480 -0.000 0.000 0.250 271 M C -0.848 174.990 176.300 -0.770 0.000 1.132 271 M CA 1.004 55.759 55.300 -0.909 0.000 1.080 271 M CB 0.527 32.563 32.600 -0.939 0.000 1.408 271 M HN 0.493 nan 8.290 nan 0.000 0.484 272 Y N -0.411 119.796 120.300 -0.155 0.000 2.553 272 Y HA 0.708 5.258 4.550 -0.000 0.000 0.347 272 Y C -0.661 175.194 175.900 -0.076 0.000 1.019 272 Y CA -1.272 56.783 58.100 -0.075 0.000 1.032 272 Y CB 1.809 40.244 38.460 -0.041 0.000 1.284 272 Y HN -0.021 nan 8.280 nan 0.000 0.466 273 A N 1.538 124.424 122.820 0.109 0.000 2.511 273 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 273 A C 0.081 177.664 177.584 -0.002 0.000 1.045 273 A CA -0.190 51.866 52.037 0.031 0.000 0.870 273 A CB 0.252 19.251 19.000 -0.002 0.000 1.361 273 A HN 1.794 nan 8.150 nan 0.000 0.396 274 G N 1.451 110.245 108.800 -0.009 0.000 2.578 274 G HA2 0.474 4.434 3.960 -0.000 0.000 0.275 274 G HA3 0.474 4.434 3.960 -0.000 0.000 0.275 274 G C 1.442 176.314 174.900 -0.047 0.000 1.271 274 G CA 1.231 46.310 45.100 -0.034 0.000 0.941 274 G HN 3.222 nan 8.290 nan 0.000 0.564 275 G N -3.816 104.932 108.800 -0.087 0.000 2.619 275 G HA2 0.387 4.347 3.960 -0.000 0.000 0.686 275 G HA3 0.387 4.347 3.960 -0.000 0.000 0.686 275 G C -0.114 174.713 174.900 -0.122 0.000 1.256 275 G CA 0.374 45.392 45.100 -0.135 0.000 0.826 275 G HN 1.925 nan 8.290 nan 0.000 0.619 276 T N 2.093 116.521 114.554 -0.209 0.000 2.793 276 T HA 0.445 4.795 4.350 -0.000 0.000 0.289 276 T C 1.495 176.199 174.700 0.007 0.000 0.956 276 T CA 1.070 63.096 62.100 -0.124 0.000 1.177 276 T CB -0.161 68.564 68.868 -0.238 0.000 0.897 276 T HN 1.381 nan 8.240 nan 0.000 0.533 277 T N 2.567 117.110 114.554 -0.018 0.000 2.802 277 T HA 0.112 4.462 4.350 -0.000 0.000 0.305 277 T C 1.425 176.079 174.700 -0.078 0.000 1.053 277 T CA -0.581 61.496 62.100 -0.038 0.000 1.058 277 T CB 0.781 69.612 68.868 -0.062 0.000 0.988 277 T HN 0.622 nan 8.240 nan 0.000 0.539 278 Q N 0.650 120.348 119.800 -0.169 0.000 2.079 278 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 278 Q C 2.236 177.975 176.000 -0.435 0.000 0.974 278 Q CA 1.632 57.170 55.803 -0.443 0.000 0.840 278 Q CB -0.242 28.221 28.738 -0.458 0.000 0.898 278 Q HN 0.819 nan 8.270 nan 0.000 0.430 279 E N 1.566 121.621 120.200 -0.242 0.000 2.130 279 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 279 E C 1.676 178.185 176.600 -0.151 0.000 0.998 279 E CA 1.294 57.589 56.400 -0.176 0.000 0.806 279 E CB -0.145 29.489 29.700 -0.110 0.000 0.738 279 E HN 0.381 nan 8.360 nan 0.000 0.459 280 E N -0.232 119.896 120.200 -0.120 0.000 2.085 280 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 280 E C 1.931 178.493 176.600 -0.063 0.000 0.994 280 E CA 1.135 57.493 56.400 -0.070 0.000 0.801 280 E CB -0.046 29.638 29.700 -0.028 0.000 0.743 280 E HN 0.199 nan 8.360 nan 0.000 0.453 281 M N 0.668 120.210 119.600 -0.097 0.000 2.077 281 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 281 M C 2.020 178.275 176.300 -0.074 0.000 1.070 281 M CA 1.607 56.882 55.300 -0.042 0.000 1.125 281 M CB -0.667 31.848 32.600 -0.142 0.000 1.339 281 M HN -0.024 nan 8.290 nan 0.000 0.409 282 K N -0.159 120.135 120.400 -0.176 0.000 2.044 282 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 282 K C 1.824 178.356 176.600 -0.113 0.000 1.049 282 K CA 1.693 57.932 56.287 -0.081 0.000 0.927 282 K CB -0.336 32.106 32.500 -0.097 0.000 0.713 282 K HN 0.410 nan 8.250 nan 0.000 0.443 283 D N 0.139 120.459 120.400 -0.134 0.000 2.183 283 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 283 D C 1.799 177.962 176.300 -0.228 0.000 0.969 283 D CA 0.803 54.714 54.000 -0.148 0.000 0.842 283 D CB 0.155 40.891 40.800 -0.107 0.000 0.957 283 D HN 0.140 nan 8.370 nan 0.000 0.484 284 A N 1.934 124.599 122.820 -0.258 0.000 1.942 284 A HA -0.243 4.077 4.320 -0.000 0.000 0.227 284 A C -0.321 176.893 177.584 -0.617 0.000 1.445 284 A CA 2.413 54.221 52.037 -0.382 0.000 0.704 284 A CB -2.045 16.692 19.000 -0.438 0.000 0.841 284 A HN 0.301 nan 8.150 nan 0.000 0.495 285 P HA -0.177 nan 4.420 nan 0.000 0.217 285 P C 0.680 177.884 177.300 -0.159 0.000 1.148 285 P CA 1.729 64.329 63.100 -0.834 0.000 0.834 285 P CB -0.427 30.823 31.700 -0.749 0.000 0.783 286 N N -1.014 117.585 118.700 -0.168 0.000 2.521 286 N HA 0.091 4.831 4.740 -0.000 0.000 0.188 286 N C 0.397 175.866 175.510 -0.068 0.000 1.146 286 N CA -0.464 52.535 53.050 -0.086 0.000 0.893 286 N CB -0.095 38.338 38.487 -0.090 0.000 0.975 286 N HN 0.134 nan 8.380 nan 0.000 0.451 287 A N 0.593 123.396 122.820 -0.028 0.000 2.401 287 A HA 0.145 4.465 4.320 -0.000 0.000 0.259 287 A C 1.300 178.782 177.584 -0.169 0.000 1.103 287 A CA -0.362 51.666 52.037 -0.016 0.000 0.789 287 A CB 0.374 19.439 19.000 0.109 0.000 1.035 287 A HN 0.220 nan 8.150 nan 0.000 0.491 288 L N 1.211 122.357 121.223 -0.129 0.000 2.103 288 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 288 L C 1.226 177.939 176.870 -0.263 0.000 1.080 288 L CA 1.814 56.555 54.840 -0.165 0.000 0.764 288 L CB -0.136 41.874 42.059 -0.083 0.000 0.890 288 L HN 0.896 nan 8.230 nan 0.000 0.435 289 N N -2.776 115.816 118.700 -0.180 0.000 3.356 289 N HA 0.169 4.909 4.740 -0.000 0.000 0.246 289 N C -1.440 174.235 175.510 0.275 0.000 1.480 289 N CA -0.372 52.641 53.050 -0.062 0.000 0.877 289 N CB 1.735 40.212 38.487 -0.016 0.000 1.431 289 N HN -0.376 nan 8.380 nan 0.000 0.500 290 T N 0.605 115.390 114.554 0.384 0.000 2.890 290 T HA 0.475 4.825 4.350 -0.000 0.000 0.295 290 T C -0.829 173.988 174.700 0.195 0.000 0.993 290 T CA -0.307 62.005 62.100 0.353 0.000 0.979 290 T CB 1.056 70.191 68.868 0.445 0.000 0.967 290 T HN 0.198 nan 8.240 nan 0.000 0.441 291 V N 5.355 125.360 119.914 0.151 0.000 2.472 291 V HA 0.511 4.631 4.120 -0.000 0.000 0.290 291 V C -0.128 176.016 176.094 0.084 0.000 1.037 291 V CA -0.868 61.492 62.300 0.100 0.000 0.908 291 V CB 1.503 33.388 31.823 0.103 0.000 0.985 291 V HN 0.699 nan 8.190 nan 0.000 0.454 292 L N 5.283 126.524 121.223 0.029 0.000 2.276 292 L HA 0.396 4.736 4.340 -0.000 0.000 0.286 292 L C 1.032 177.874 176.870 -0.048 0.000 1.024 292 L CA -0.414 54.400 54.840 -0.043 0.000 0.826 292 L CB 1.343 43.340 42.059 -0.104 0.000 1.211 292 L HN 0.608 nan 8.230 nan 0.000 0.422 293 L N 2.088 123.273 121.223 -0.064 0.000 2.046 293 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 293 L C 0.887 177.690 176.870 -0.112 0.000 1.077 293 L CA 1.570 56.359 54.840 -0.084 0.000 0.747 293 L CB -0.118 41.867 42.059 -0.125 0.000 0.896 293 L HN 0.718 nan 8.230 nan 0.000 0.432 294 Q N -0.379 119.304 119.800 -0.196 0.000 2.851 294 Q HA 0.156 4.496 4.340 -0.000 0.000 0.331 294 Q C -1.650 174.166 176.000 -0.306 0.000 0.979 294 Q CA -1.513 54.177 55.803 -0.188 0.000 0.955 294 Q CB 1.123 29.742 28.738 -0.197 0.000 1.298 294 Q HN 0.133 nan 8.270 nan 0.000 0.432 295 P HA -0.222 nan 4.420 nan 0.000 0.215 295 P C 0.523 177.669 177.300 -0.256 0.000 1.163 295 P CA 1.359 64.305 63.100 -0.256 0.000 0.894 295 P CB 0.001 31.530 31.700 -0.285 0.000 0.791 296 W N 0.731 122.009 121.300 -0.037 0.000 2.547 296 W HA -0.142 4.518 4.660 -0.000 0.000 0.262 296 W C 1.649 178.199 176.519 0.052 0.000 1.213 296 W CA 1.350 58.719 57.345 0.040 0.000 1.191 296 W CB -0.863 28.663 29.460 0.111 0.000 1.142 296 W HN 0.396 nan 8.180 nan 0.000 0.611 297 H N -3.228 115.877 119.070 0.059 0.000 3.233 297 H HA 0.292 4.848 4.556 -0.000 0.000 0.232 297 H C -0.065 175.257 175.328 -0.010 0.000 1.322 297 H CA -0.270 55.784 56.048 0.009 0.000 1.043 297 H CB -0.583 29.154 29.762 -0.041 0.000 2.572 297 H HN 0.227 nan 8.280 nan 0.000 0.597 298 L N 0.720 121.865 121.223 -0.129 0.000 3.510 298 L HA 0.203 4.543 4.340 -0.000 0.000 0.324 298 L C 1.305 178.137 176.870 -0.064 0.000 1.307 298 L CA 0.012 54.786 54.840 -0.110 0.000 1.011 298 L CB 0.799 42.719 42.059 -0.230 0.000 1.422 298 L HN 0.130 nan 8.230 nan 0.000 0.617 299 E N 1.040 121.210 120.200 -0.050 0.000 2.077 299 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 299 E C 1.700 178.294 176.600 -0.010 0.000 0.989 299 E CA 1.194 57.563 56.400 -0.051 0.000 0.800 299 E CB 0.139 29.812 29.700 -0.044 0.000 0.746 299 E HN 0.304 nan 8.360 nan 0.000 0.452 300 K N 0.477 120.889 120.400 0.020 0.000 2.442 300 K HA -0.076 4.244 4.320 -0.000 0.000 0.198 300 K C 1.646 178.278 176.600 0.053 0.000 1.042 300 K CA 1.126 57.433 56.287 0.032 0.000 0.958 300 K CB 0.200 32.719 32.500 0.033 0.000 0.766 300 K HN -0.030 nan 8.250 nan 0.000 0.474 301 T N -0.019 114.573 114.554 0.062 0.000 3.004 301 T HA -0.001 4.349 4.350 -0.000 0.000 0.243 301 T C 1.486 176.217 174.700 0.052 0.000 1.020 301 T CA 0.492 62.653 62.100 0.102 0.000 1.145 301 T CB 0.046 68.992 68.868 0.130 0.000 0.876 301 T HN 0.216 nan 8.240 nan 0.000 0.449 302 K N 1.613 122.012 120.400 -0.002 0.000 2.032 302 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 302 K C 2.266 178.848 176.600 -0.030 0.000 1.048 302 K CA 1.484 57.753 56.287 -0.030 0.000 0.927 302 K CB -0.098 32.365 32.500 -0.062 0.000 0.712 302 K HN 0.164 nan 8.250 nan 0.000 0.441 303 K N 0.051 120.445 120.400 -0.010 0.000 1.977 303 K HA -0.236 4.084 4.320 -0.000 0.000 0.218 303 K C 2.073 178.660 176.600 -0.022 0.000 1.051 303 K CA 2.079 58.360 56.287 -0.009 0.000 0.953 303 K CB -0.478 32.031 32.500 0.015 0.000 0.727 303 K HN 0.157 nan 8.250 nan 0.000 0.445 304 F N 1.496 121.363 119.950 -0.139 0.000 2.087 304 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 304 F C 1.907 177.509 175.800 -0.330 0.000 1.100 304 F CA 1.719 59.591 58.000 -0.213 0.000 1.226 304 F CB -0.459 38.392 39.000 -0.248 0.000 0.983 304 F HN -0.098 nan 8.300 nan 0.000 0.479 305 V N 0.575 120.292 119.914 -0.328 0.000 2.255 305 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 305 V C 2.317 178.242 176.094 -0.282 0.000 1.051 305 V CA 2.454 64.455 62.300 -0.498 0.000 1.018 305 V CB -0.740 30.942 31.823 -0.236 0.000 0.641 305 V HN 0.388 nan 8.190 nan 0.000 0.445 306 E N 0.141 120.257 120.200 -0.139 0.000 2.047 306 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 306 E C 2.346 178.889 176.600 -0.094 0.000 0.987 306 E CA 1.171 57.540 56.400 -0.052 0.000 0.799 306 E CB -0.547 29.137 29.700 -0.026 0.000 0.752 306 E HN 0.634 nan 8.360 nan 0.000 0.449 307 G N 0.568 109.276 108.800 -0.154 0.000 2.446 307 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 307 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 307 G C 1.587 176.361 174.900 -0.209 0.000 1.168 307 G CA 1.514 46.521 45.100 -0.155 0.000 0.771 307 G HN 0.185 nan 8.290 nan 0.000 0.551 308 T N -0.648 113.649 114.554 -0.429 0.000 3.115 308 T HA 0.020 4.370 4.350 -0.000 0.000 0.235 308 T C 1.929 176.566 174.700 -0.106 0.000 0.999 308 T CA 0.564 62.434 62.100 -0.384 0.000 1.276 308 T CB -0.233 68.117 68.868 -0.863 0.000 0.967 308 T HN 0.329 nan 8.240 nan 0.000 0.420 309 W N 2.271 123.329 121.300 -0.403 0.000 2.359 309 W HA 0.047 4.707 4.660 -0.000 0.000 0.275 309 W C 0.659 177.174 176.519 -0.006 0.000 1.217 309 W CA 0.488 57.690 57.345 -0.238 0.000 1.196 309 W CB -0.692 28.455 29.460 -0.523 0.000 1.129 309 W HN 0.286 nan 8.180 nan 0.000 0.566 310 K N -0.419 120.081 120.400 0.167 0.000 3.161 310 K HA -0.229 4.091 4.320 -0.000 0.000 0.270 310 K C -0.352 176.427 176.600 0.298 0.000 1.115 310 K CA 0.786 57.173 56.287 0.168 0.000 0.789 310 K CB -2.465 30.110 32.500 0.124 0.000 1.256 310 K HN 0.450 nan 8.250 nan 0.000 0.492 311 H N 0.392 119.522 119.070 0.099 0.000 2.483 311 H HA 0.239 4.795 4.556 -0.000 0.000 0.338 311 H C 0.247 175.605 175.328 0.050 0.000 1.152 311 H CA -0.718 55.388 56.048 0.096 0.000 1.264 311 H CB 1.130 30.993 29.762 0.168 0.000 1.510 311 H HN 0.055 nan 8.280 nan 0.000 0.530 312 E N 2.407 122.690 120.200 0.137 0.000 2.127 312 E HA 0.116 4.466 4.350 -0.000 0.000 0.262 312 E C -0.520 176.118 176.600 0.063 0.000 1.144 312 E CA -0.406 56.035 56.400 0.068 0.000 1.144 312 E CB 0.572 30.288 29.700 0.026 0.000 1.297 312 E HN 0.249 nan 8.360 nan 0.000 0.469 313 V N 4.935 124.895 119.914 0.077 0.000 2.557 313 V HA -0.018 4.102 4.120 -0.000 0.000 0.301 313 V C -1.297 174.801 176.094 0.008 0.000 1.026 313 V CA -0.726 61.605 62.300 0.053 0.000 1.137 313 V CB -0.271 31.573 31.823 0.035 0.000 0.917 313 V HN 0.474 nan 8.190 nan 0.000 0.484 314 P HA 0.149 nan 4.420 nan 0.000 0.274 314 P C -0.639 176.634 177.300 -0.045 0.000 1.246 314 P CA -0.686 62.399 63.100 -0.025 0.000 0.795 314 P CB 0.865 32.547 31.700 -0.030 0.000 1.006 315 K N 2.113 122.481 120.400 -0.053 0.000 2.222 315 K HA 0.297 4.617 4.320 -0.000 0.000 0.243 315 K C -0.654 175.893 176.600 -0.088 0.000 1.160 315 K CA -0.274 55.966 56.287 -0.079 0.000 1.090 315 K CB -0.725 31.737 32.500 -0.063 0.000 1.694 315 K HN 0.429 nan 8.250 nan 0.000 0.361 316 L N 2.185 123.352 121.223 -0.092 0.000 2.330 316 L HA 0.408 4.748 4.340 -0.000 0.000 0.271 316 L C 0.182 176.949 176.870 -0.171 0.000 1.013 316 L CA -1.106 53.677 54.840 -0.095 0.000 0.816 316 L CB 1.662 43.726 42.059 0.008 0.000 1.287 316 L HN 0.456 nan 8.230 nan 0.000 0.435 317 N N 1.351 119.862 118.700 -0.315 0.000 2.489 317 N HA 0.371 5.111 4.740 -0.000 0.000 0.284 317 N C -0.426 174.962 175.510 -0.205 0.000 1.158 317 N CA -0.610 52.154 53.050 -0.477 0.000 0.965 317 N CB 2.373 39.983 38.487 -1.462 0.000 1.195 317 N HN 0.530 nan 8.380 nan 0.000 0.506 318 I N 2.875 123.407 120.570 -0.063 0.000 2.821 318 I HA -0.014 4.156 4.170 -0.000 0.000 0.294 318 I C -1.721 174.466 176.117 0.116 0.000 1.210 318 I CA -0.857 60.470 61.300 0.044 0.000 1.430 318 I CB 0.639 38.723 38.000 0.139 0.000 1.356 318 I HN 0.261 nan 8.210 nan 0.000 0.563 319 P HA 0.111 nan 4.420 nan 0.000 0.256 319 P C -1.144 176.140 177.300 -0.026 0.000 1.688 319 P CA 0.345 63.412 63.100 -0.055 0.000 1.162 319 P CB -0.044 31.371 31.700 -0.474 0.000 1.870 320 M N 1.716 121.390 119.600 0.123 0.000 2.464 320 M HA 0.625 5.105 4.480 -0.000 0.000 0.308 320 M C 0.418 176.636 176.300 -0.137 0.000 1.127 320 M CA -0.176 55.106 55.300 -0.029 0.000 0.913 320 M CB 2.744 35.357 32.600 0.021 0.000 1.689 320 M HN 0.378 nan 8.290 nan 0.000 0.445 321 G N 1.055 109.586 108.800 -0.448 0.000 2.758 321 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 321 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 321 G C -0.286 174.522 174.900 -0.154 0.000 1.389 321 G CA -0.323 44.426 45.100 -0.584 0.000 0.845 321 G HN 0.768 nan 8.290 nan 0.000 0.572 322 L N 0.547 121.755 121.223 -0.026 0.000 1.933 322 L HA -0.004 4.336 4.340 -0.000 0.000 0.220 322 L C 2.533 179.485 176.870 0.136 0.000 1.078 322 L CA 3.144 58.025 54.840 0.068 0.000 0.773 322 L CB -1.038 41.047 42.059 0.045 0.000 0.890 322 L HN 0.755 nan 8.230 nan 0.000 0.434 323 D N -0.837 119.606 120.400 0.071 0.000 2.242 323 D HA -0.281 4.359 4.640 -0.000 0.000 0.193 323 D C 2.004 178.466 176.300 0.270 0.000 1.005 323 D CA 2.109 56.177 54.000 0.112 0.000 0.856 323 D CB -0.628 40.178 40.800 0.010 0.000 1.001 323 D HN 0.464 nan 8.370 nan 0.000 0.452 324 W N 1.149 122.509 121.300 0.101 0.000 2.317 324 W HA -0.151 4.509 4.660 -0.000 0.000 0.318 324 W C 2.729 179.313 176.519 0.108 0.000 1.227 324 W CA 1.237 58.639 57.345 0.095 0.000 1.269 324 W CB -1.684 27.819 29.460 0.071 0.000 1.155 324 W HN 0.024 nan 8.180 nan 0.000 0.484 325 T N 0.305 115.042 114.554 0.305 0.000 2.778 325 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 325 T C 1.224 176.055 174.700 0.218 0.000 1.050 325 T CA 1.881 64.072 62.100 0.152 0.000 1.137 325 T CB -0.381 68.485 68.868 -0.003 0.000 0.860 325 T HN 0.066 nan 8.240 nan 0.000 0.468 326 D N 1.168 121.749 120.400 0.302 0.000 2.077 326 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 326 D C 2.213 178.641 176.300 0.213 0.000 0.989 326 D CA 1.095 55.258 54.000 0.272 0.000 0.831 326 D CB -0.393 40.549 40.800 0.237 0.000 0.979 326 D HN 0.485 nan 8.370 nan 0.000 0.449 327 E N -0.205 120.128 120.200 0.222 0.000 2.169 327 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 327 E C 1.971 178.660 176.600 0.148 0.000 1.016 327 E CA 0.874 57.376 56.400 0.170 0.000 0.817 327 E CB -0.267 29.542 29.700 0.182 0.000 0.736 327 E HN 0.255 nan 8.360 nan 0.000 0.462 328 F N 1.183 121.156 119.950 0.038 0.000 2.051 328 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 328 F C 1.991 177.782 175.800 -0.016 0.000 1.122 328 F CA 1.371 59.368 58.000 -0.005 0.000 1.201 328 F CB -0.282 38.703 39.000 -0.024 0.000 0.978 328 F HN -0.097 nan 8.300 nan 0.000 0.472 329 L N -0.099 121.217 121.223 0.156 0.000 2.013 329 L HA -0.330 4.010 4.340 -0.000 0.000 0.212 329 L C 2.595 179.418 176.870 -0.079 0.000 1.073 329 L CA 1.927 56.769 54.840 0.004 0.000 0.753 329 L CB -0.823 41.285 42.059 0.080 0.000 0.890 329 L HN 0.323 nan 8.230 nan 0.000 0.432 330 M N -0.471 119.120 119.600 -0.015 0.000 2.084 330 M HA -0.254 4.226 4.480 -0.000 0.000 0.259 330 M C 2.399 178.654 176.300 -0.075 0.000 1.072 330 M CA 1.782 57.071 55.300 -0.020 0.000 1.107 330 M CB -0.579 32.034 32.600 0.022 0.000 1.299 330 M HN 0.003 nan 8.290 nan 0.000 0.413 331 K N 0.622 120.963 120.400 -0.098 0.000 2.127 331 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 331 K C 1.561 178.052 176.600 -0.183 0.000 1.047 331 K CA 1.430 57.642 56.287 -0.125 0.000 0.927 331 K CB -0.687 31.735 32.500 -0.131 0.000 0.716 331 K HN 0.192 nan 8.250 nan 0.000 0.450 332 V N -0.047 119.686 119.914 -0.302 0.000 2.295 332 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 332 V C 2.361 178.362 176.094 -0.154 0.000 1.049 332 V CA 1.987 64.105 62.300 -0.303 0.000 1.024 332 V CB -0.683 30.868 31.823 -0.453 0.000 0.648 332 V HN 0.519 nan 8.190 nan 0.000 0.447 333 S N -0.384 115.247 115.700 -0.115 0.000 2.363 333 S HA -0.333 4.137 4.470 -0.000 0.000 0.218 333 S C 2.097 176.665 174.600 -0.053 0.000 1.035 333 S CA 2.284 60.447 58.200 -0.061 0.000 1.043 333 S CB -0.520 62.659 63.200 -0.035 0.000 0.986 333 S HN 0.686 nan 8.310 nan 0.000 0.423 334 E N 0.178 120.348 120.200 -0.051 0.000 2.149 334 E HA -0.254 4.096 4.350 -0.000 0.000 0.215 334 E C 1.991 178.565 176.600 -0.044 0.000 1.055 334 E CA 2.193 58.568 56.400 -0.041 0.000 0.870 334 E CB -0.421 29.255 29.700 -0.040 0.000 0.764 334 E HN 0.719 nan 8.360 nan 0.000 0.463 335 I N 0.482 121.016 120.570 -0.059 0.000 2.110 335 I HA -0.272 3.898 4.170 -0.000 0.000 0.236 335 I C 2.823 178.913 176.117 -0.045 0.000 1.068 335 I CA 1.444 62.711 61.300 -0.054 0.000 1.333 335 I CB -0.542 37.418 38.000 -0.066 0.000 1.054 335 I HN 0.219 nan 8.210 nan 0.000 0.402 336 S N 0.662 116.335 115.700 -0.045 0.000 2.399 336 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 336 S C 1.792 176.379 174.600 -0.023 0.000 1.022 336 S CA 0.809 58.992 58.200 -0.029 0.000 0.983 336 S CB -0.435 62.752 63.200 -0.022 0.000 0.803 336 S HN 0.717 nan 8.310 nan 0.000 0.480 337 G N 0.521 109.307 108.800 -0.024 0.000 2.132 337 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.228 337 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.228 337 G C -0.316 174.578 174.900 -0.010 0.000 1.000 337 G CA 0.005 45.095 45.100 -0.017 0.000 0.693 337 G HN 0.544 nan 8.290 nan 0.000 0.515 338 Q N 0.538 120.332 119.800 -0.010 0.000 2.293 338 Q HA 0.456 4.796 4.340 -0.000 0.000 0.261 338 Q C -2.237 173.763 176.000 -0.000 0.000 0.960 338 Q CA -1.842 53.960 55.803 -0.002 0.000 0.882 338 Q CB 2.568 31.308 28.738 0.003 0.000 1.275 338 Q HN 0.381 nan 8.270 nan 0.000 0.445 339 P HA 0.179 nan 4.420 nan 0.000 0.272 339 P C -0.096 177.214 177.300 0.017 0.000 1.223 339 P CA -0.253 62.853 63.100 0.010 0.000 0.784 339 P CB 1.028 32.736 31.700 0.012 0.000 0.923 340 I N 4.137 124.721 120.570 0.024 0.000 2.494 340 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 340 I C -1.290 174.851 176.117 0.041 0.000 1.106 340 I CA -1.660 59.662 61.300 0.037 0.000 1.369 340 I CB 0.148 38.179 38.000 0.052 0.000 1.410 340 I HN 0.222 nan 8.210 nan 0.000 0.523 341 P HA 0.009 nan 4.420 nan 0.000 0.268 341 P C 0.559 177.887 177.300 0.046 0.000 1.205 341 P CA -0.148 62.976 63.100 0.039 0.000 0.771 341 P CB 1.117 32.839 31.700 0.037 0.000 0.858 342 A N 3.524 126.367 122.820 0.038 0.000 1.940 342 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 342 A C 2.318 179.929 177.584 0.045 0.000 1.190 342 A CA 2.483 54.542 52.037 0.037 0.000 0.647 342 A CB -1.665 17.352 19.000 0.028 0.000 0.821 342 A HN 0.636 nan 8.150 nan 0.000 0.457 343 S N 0.119 115.846 115.700 0.045 0.000 2.389 343 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 343 S C 1.811 176.454 174.600 0.072 0.000 1.048 343 S CA 1.825 60.055 58.200 0.050 0.000 1.117 343 S CB -0.735 62.492 63.200 0.045 0.000 1.020 343 S HN 0.530 nan 8.310 nan 0.000 0.430 344 L N 1.035 122.312 121.223 0.091 0.000 2.131 344 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 344 L C 2.683 179.658 176.870 0.175 0.000 1.092 344 L CA 1.239 56.170 54.840 0.152 0.000 0.759 344 L CB -1.249 40.893 42.059 0.139 0.000 0.903 344 L HN 0.373 nan 8.230 nan 0.000 0.435 345 T N -0.658 113.964 114.554 0.113 0.000 2.803 345 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 345 T C 1.930 176.659 174.700 0.048 0.000 1.052 345 T CA 1.445 63.595 62.100 0.083 0.000 1.136 345 T CB -0.035 68.866 68.868 0.055 0.000 0.864 345 T HN 0.261 nan 8.240 nan 0.000 0.467 346 K N 0.741 121.170 120.400 0.049 0.000 2.021 346 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 346 K C 2.402 179.013 176.600 0.018 0.000 1.047 346 K CA 0.947 57.249 56.287 0.025 0.000 0.943 346 K CB -0.052 32.465 32.500 0.027 0.000 0.725 346 K HN 0.300 nan 8.250 nan 0.000 0.439 347 E N 0.825 121.063 120.200 0.062 0.000 2.086 347 E HA -0.330 4.020 4.350 -0.000 0.000 0.205 347 E C 2.096 178.677 176.600 -0.032 0.000 1.027 347 E CA 1.701 58.146 56.400 0.075 0.000 0.830 347 E CB -0.047 29.768 29.700 0.192 0.000 0.751 347 E HN 0.195 nan 8.360 nan 0.000 0.456 348 R N -0.350 120.077 120.500 -0.122 0.000 2.113 348 R HA -0.182 4.158 4.340 -0.000 0.000 0.231 348 R C 2.478 178.613 176.300 -0.275 0.000 1.129 348 R CA 2.129 57.906 56.100 -0.538 0.000 0.915 348 R CB -1.014 29.015 30.300 -0.451 0.000 0.837 348 R HN 0.308 nan 8.270 nan 0.000 0.430 349 G N 0.525 109.242 108.800 -0.138 0.000 2.597 349 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.222 349 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.222 349 G C 1.485 176.341 174.900 -0.073 0.000 1.135 349 G CA 1.422 46.471 45.100 -0.085 0.000 0.759 349 G HN 0.419 nan 8.290 nan 0.000 0.595 350 R N -0.562 119.901 120.500 -0.062 0.000 2.066 350 R HA 0.036 4.375 4.340 -0.000 0.000 0.232 350 R C 2.514 178.786 176.300 -0.046 0.000 1.131 350 R CA 1.141 57.218 56.100 -0.037 0.000 0.955 350 R CB -0.605 29.685 30.300 -0.016 0.000 0.851 350 R HN 0.399 nan 8.270 nan 0.000 0.432 351 L N 0.958 122.129 121.223 -0.088 0.000 2.129 351 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 351 L C 1.914 178.754 176.870 -0.049 0.000 1.087 351 L CA 1.619 56.414 54.840 -0.075 0.000 0.757 351 L CB -0.256 41.701 42.059 -0.170 0.000 0.896 351 L HN -0.074 nan 8.230 nan 0.000 0.434 352 V N -0.116 119.750 119.914 -0.080 0.000 2.323 352 V HA -0.254 3.866 4.120 -0.000 0.000 0.244 352 V C 2.315 178.394 176.094 -0.025 0.000 1.041 352 V CA 1.710 63.979 62.300 -0.052 0.000 1.025 352 V CB -0.677 31.105 31.823 -0.067 0.000 0.656 352 V HN 0.583 nan 8.190 nan 0.000 0.451 353 D N 0.050 120.435 120.400 -0.024 0.000 2.137 353 D HA -0.283 4.357 4.640 -0.000 0.000 0.189 353 D C 2.174 178.482 176.300 0.014 0.000 0.998 353 D CA 2.473 56.470 54.000 -0.006 0.000 0.839 353 D CB -0.229 40.569 40.800 -0.004 0.000 0.962 353 D HN 0.323 nan 8.370 nan 0.000 0.446 354 M N -0.746 118.865 119.600 0.019 0.000 2.151 354 M HA -0.306 4.173 4.480 -0.000 0.000 0.256 354 M C 2.541 178.874 176.300 0.054 0.000 1.072 354 M CA 2.025 57.349 55.300 0.040 0.000 1.090 354 M CB -0.476 32.150 32.600 0.043 0.000 1.294 354 M HN 0.211 nan 8.290 nan 0.000 0.415 355 M N -0.288 119.340 119.600 0.046 0.000 2.113 355 M HA -0.259 4.221 4.480 -0.000 0.000 0.255 355 M C 2.410 178.747 176.300 0.061 0.000 1.073 355 M CA 2.648 57.973 55.300 0.043 0.000 1.091 355 M CB -0.946 31.663 32.600 0.014 0.000 1.309 355 M HN 0.591 nan 8.290 nan 0.000 0.407 356 T N -2.482 112.088 114.554 0.027 0.000 2.821 356 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 356 T C 1.382 176.183 174.700 0.169 0.000 1.046 356 T CA 1.684 63.804 62.100 0.033 0.000 1.139 356 T CB -0.535 68.317 68.868 -0.027 0.000 0.871 356 T HN 0.238 nan 8.240 nan 0.000 0.454 357 D N 2.098 122.562 120.400 0.106 0.000 2.221 357 D HA -0.044 4.596 4.640 -0.000 0.000 0.204 357 D C 1.457 177.830 176.300 0.122 0.000 0.982 357 D CA 1.661 55.722 54.000 0.100 0.000 0.857 357 D CB -0.157 40.683 40.800 0.068 0.000 0.934 357 D HN 0.699 nan 8.370 nan 0.000 0.475 358 S N -0.698 115.091 115.700 0.148 0.000 2.941 358 S HA 0.076 4.546 4.470 -0.000 0.000 0.248 358 S C 1.107 175.780 174.600 0.121 0.000 0.962 358 S CA -0.756 57.527 58.200 0.138 0.000 1.092 358 S CB -0.417 62.885 63.200 0.170 0.000 1.113 358 S HN 0.329 nan 8.310 nan 0.000 0.512 359 H N 1.604 120.682 119.070 0.014 0.000 2.333 359 H HA -0.083 4.473 4.556 -0.000 0.000 0.302 359 H C 2.033 177.367 175.328 0.010 0.000 1.075 359 H CA 1.918 57.969 56.048 0.005 0.000 1.348 359 H CB -1.698 28.050 29.762 -0.024 0.000 1.393 359 H HN 0.515 nan 8.280 nan 0.000 0.509 360 T N -1.209 112.761 114.554 -0.973 0.000 2.701 360 T HA -0.302 4.048 4.350 -0.000 0.000 0.265 360 T C 1.923 176.370 174.700 -0.420 0.000 1.032 360 T CA 2.035 63.666 62.100 -0.781 0.000 1.158 360 T CB -1.129 67.197 68.868 -0.903 0.000 0.854 360 T HN 0.600 nan 8.240 nan 0.000 0.463 361 W N 0.758 121.989 121.300 -0.116 0.000 2.494 361 W HA 0.421 5.081 4.660 -0.000 0.000 0.286 361 W C 2.388 178.920 176.519 0.023 0.000 1.218 361 W CA -0.446 56.880 57.345 -0.031 0.000 1.313 361 W CB -0.108 29.337 29.460 -0.025 0.000 1.105 361 W HN 0.183 nan 8.180 nan 0.000 0.561 362 L N -0.711 120.660 121.223 0.247 0.000 2.179 362 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 362 L C 1.497 178.451 176.870 0.139 0.000 1.096 362 L CA 0.367 55.321 54.840 0.190 0.000 0.779 362 L CB -0.933 41.198 42.059 0.119 0.000 0.922 362 L HN -0.025 nan 8.230 nan 0.000 0.443 363 H N 1.599 120.686 119.070 0.028 0.000 3.167 363 H HA -0.028 4.528 4.556 -0.000 0.000 0.306 363 H C 0.783 176.133 175.328 0.036 0.000 0.965 363 H CA 1.032 57.084 56.048 0.006 0.000 1.408 363 H CB 0.450 30.224 29.762 0.019 0.000 1.406 363 H HN 0.361 nan 8.280 nan 0.000 0.576 364 G N 5.207 113.747 108.800 -0.433 0.000 2.272 364 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.280 364 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.280 364 G C -0.263 174.586 174.900 -0.086 0.000 1.067 364 G CA 0.044 45.014 45.100 -0.217 0.000 0.902 364 G HN 0.577 nan 8.290 nan 0.000 0.500 365 K N 0.437 120.779 120.400 -0.097 0.000 2.425 365 K HA 0.310 4.630 4.320 -0.000 0.000 0.259 365 K C 0.724 177.111 176.600 -0.356 0.000 0.978 365 K CA -0.724 55.436 56.287 -0.211 0.000 0.883 365 K CB 1.179 33.563 32.500 -0.193 0.000 1.110 365 K HN 0.468 nan 8.250 nan 0.000 0.436 366 R N 2.503 122.804 120.500 -0.331 0.000 2.370 366 R HA 0.269 4.609 4.340 -0.000 0.000 0.309 366 R C -0.293 175.783 176.300 -0.374 0.000 1.059 366 R CA 0.182 56.129 56.100 -0.255 0.000 0.981 366 R CB 0.101 30.291 30.300 -0.182 0.000 0.972 366 R HN 0.266 nan 8.270 nan 0.000 0.437 367 F N 0.684 120.643 119.950 0.016 0.000 2.561 367 F HA 0.635 5.162 4.527 -0.000 0.000 0.321 367 F C 0.097 175.936 175.800 0.065 0.000 1.065 367 F CA -0.999 57.045 58.000 0.073 0.000 0.934 367 F CB 2.016 41.060 39.000 0.073 0.000 1.215 367 F HN 0.479 nan 8.300 nan 0.000 0.471 368 A N 2.850 125.886 122.820 0.359 0.000 2.356 368 A HA 0.898 5.218 4.320 -0.000 0.000 0.310 368 A C -1.422 176.393 177.584 0.384 0.000 1.075 368 A CA -0.516 51.734 52.037 0.355 0.000 0.746 368 A CB 0.996 20.227 19.000 0.385 0.000 1.221 368 A HN 0.778 nan 8.150 nan 0.000 0.443 369 L N -1.044 120.401 121.223 0.369 0.000 2.389 369 L HA 1.113 5.453 4.340 -0.000 0.000 0.249 369 L C -0.857 176.298 176.870 0.475 0.000 1.083 369 L CA -0.784 54.237 54.840 0.301 0.000 0.876 369 L CB 1.129 43.233 42.059 0.076 0.000 1.489 369 L HN 1.171 nan 8.230 nan 0.000 0.412 370 W N -1.245 120.152 121.300 0.162 0.000 3.064 370 W HA 0.839 5.499 4.660 -0.000 0.000 0.328 370 W C -0.530 176.142 176.519 0.254 0.000 1.210 370 W CA -0.091 57.367 57.345 0.188 0.000 1.178 370 W CB 0.138 29.701 29.460 0.171 0.000 1.416 370 W HN 1.221 nan 8.180 nan 0.000 0.568 371 G N 0.397 109.472 108.800 0.459 0.000 2.564 371 G HA2 0.232 4.192 3.960 -0.000 0.000 0.139 371 G HA3 0.232 4.192 3.960 -0.000 0.000 0.139 371 G C -1.541 173.550 174.900 0.318 0.000 1.147 371 G CA -0.314 45.035 45.100 0.416 0.000 1.031 371 G HN 0.659 nan 8.290 nan 0.000 0.482 372 D N 1.000 121.577 120.400 0.295 0.000 2.332 372 D HA 0.477 5.117 4.640 -0.000 0.000 0.252 372 D C -1.432 174.852 176.300 -0.028 0.000 1.050 372 D CA -1.250 52.790 54.000 0.066 0.000 0.970 372 D CB 1.788 42.599 40.800 0.019 0.000 1.141 372 D HN -0.073 nan 8.370 nan 0.000 0.485 373 P HA -0.175 nan 4.420 nan 0.000 0.211 373 P C 0.407 177.729 177.300 0.037 0.000 1.181 373 P CA 1.576 64.315 63.100 -0.602 0.000 0.929 373 P CB 0.222 31.510 31.700 -0.685 0.000 0.789 374 D N -1.686 118.842 120.400 0.212 0.000 2.092 374 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 374 D C 1.678 178.165 176.300 0.311 0.000 0.994 374 D CA 0.993 55.196 54.000 0.338 0.000 0.828 374 D CB -0.934 40.060 40.800 0.324 0.000 0.963 374 D HN 0.040 nan 8.370 nan 0.000 0.450 375 F N 1.619 121.643 119.950 0.123 0.000 2.027 375 F HA -0.299 4.228 4.527 -0.000 0.000 0.297 375 F C 2.164 178.042 175.800 0.130 0.000 1.129 375 F CA 1.236 59.282 58.000 0.078 0.000 1.195 375 F CB -0.829 38.170 39.000 -0.001 0.000 0.960 375 F HN -0.152 nan 8.300 nan 0.000 0.485 376 V N 2.180 122.047 119.914 -0.079 0.000 2.250 376 V HA -0.438 3.682 4.120 -0.000 0.000 0.250 376 V C 2.682 178.812 176.094 0.060 0.000 1.060 376 V CA 2.857 65.110 62.300 -0.078 0.000 1.030 376 V CB -1.045 30.918 31.823 0.234 0.000 0.643 376 V HN 0.686 nan 8.190 nan 0.000 0.445 377 M N 0.625 120.402 119.600 0.296 0.000 2.213 377 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 377 M C 1.964 178.423 176.300 0.265 0.000 1.062 377 M CA 2.437 57.903 55.300 0.277 0.000 1.105 377 M CB -0.900 31.916 32.600 0.361 0.000 1.385 377 M HN 0.237 nan 8.290 nan 0.000 0.417 378 G N 1.092 110.058 108.800 0.275 0.000 2.403 378 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 378 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 378 G C 1.345 176.225 174.900 -0.033 0.000 1.154 378 G CA 0.540 45.788 45.100 0.246 0.000 0.784 378 G HN 0.393 nan 8.290 nan 0.000 0.538 379 L N 0.859 121.989 121.223 -0.156 0.000 2.046 379 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 379 L C 3.016 179.805 176.870 -0.135 0.000 1.077 379 L CA 1.176 55.890 54.840 -0.209 0.000 0.747 379 L CB -0.481 41.294 42.059 -0.473 0.000 0.896 379 L HN 0.102 nan 8.230 nan 0.000 0.432 380 V N -0.384 119.463 119.914 -0.111 0.000 2.261 380 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 380 V C 2.589 178.605 176.094 -0.130 0.000 1.047 380 V CA 1.988 64.235 62.300 -0.088 0.000 1.015 380 V CB -0.752 31.047 31.823 -0.040 0.000 0.642 380 V HN 0.431 nan 8.190 nan 0.000 0.446 381 K N 0.274 120.552 120.400 -0.204 0.000 2.020 381 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 381 K C 1.964 178.411 176.600 -0.255 0.000 1.050 381 K CA 2.041 58.092 56.287 -0.393 0.000 0.929 381 K CB -0.748 31.098 32.500 -1.091 0.000 0.714 381 K HN 0.315 nan 8.250 nan 0.000 0.443 382 F N 0.909 120.644 119.950 -0.358 0.000 2.134 382 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 382 F C 1.687 177.360 175.800 -0.212 0.000 1.097 382 F CA 1.307 59.150 58.000 -0.263 0.000 1.264 382 F CB -0.525 38.350 39.000 -0.209 0.000 1.001 382 F HN 0.026 nan 8.300 nan 0.000 0.479 383 L N -0.424 120.616 121.223 -0.305 0.000 2.079 383 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 383 L C 2.475 179.161 176.870 -0.308 0.000 1.081 383 L CA 1.118 55.727 54.840 -0.383 0.000 0.752 383 L CB -0.683 41.222 42.059 -0.255 0.000 0.896 383 L HN 0.181 nan 8.230 nan 0.000 0.433 384 L N -0.801 120.292 121.223 -0.216 0.000 2.093 384 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 384 L C 2.399 179.138 176.870 -0.219 0.000 1.085 384 L CA 1.118 55.859 54.840 -0.165 0.000 0.755 384 L CB -0.556 41.455 42.059 -0.080 0.000 0.904 384 L HN 0.323 nan 8.230 nan 0.000 0.435 385 E N 0.276 120.346 120.200 -0.217 0.000 2.338 385 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 385 E C 2.074 178.519 176.600 -0.258 0.000 1.007 385 E CA 0.820 57.118 56.400 -0.170 0.000 0.849 385 E CB -0.005 29.671 29.700 -0.041 0.000 0.774 385 E HN 0.547 nan 8.360 nan 0.000 0.506 386 L N -0.699 120.283 121.223 -0.402 0.000 2.477 386 L HA 0.186 4.526 4.340 -0.000 0.000 0.220 386 L C 1.277 177.932 176.870 -0.360 0.000 1.106 386 L CA 0.385 54.998 54.840 -0.379 0.000 0.851 386 L CB 0.298 42.059 42.059 -0.497 0.000 0.994 386 L HN 0.243 nan 8.230 nan 0.000 0.462 387 G N -0.222 108.239 108.800 -0.565 0.000 2.167 387 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.194 387 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.194 387 G C -0.064 174.448 174.900 -0.646 0.000 1.027 387 G CA -0.218 44.269 45.100 -1.022 0.000 0.717 387 G HN 0.263 nan 8.290 nan 0.000 0.501 388 C N -0.242 118.864 119.300 -0.322 0.000 2.407 388 C HA 0.769 5.229 4.460 -0.000 0.000 0.366 388 C C 0.457 175.468 174.990 0.034 0.000 1.213 388 C CA -0.751 58.245 59.018 -0.037 0.000 2.011 388 C CB 1.717 29.590 27.740 0.222 0.000 2.306 388 C HN 0.520 nan 8.230 nan 0.000 0.527 389 E N 2.062 122.319 120.200 0.094 0.000 2.256 389 E HA 0.186 4.536 4.350 -0.000 0.000 0.243 389 E C -2.398 174.262 176.600 0.100 0.000 0.925 389 E CA -1.396 55.054 56.400 0.084 0.000 0.748 389 E CB 0.893 30.613 29.700 0.033 0.000 1.206 389 E HN 0.436 nan 8.360 nan 0.000 0.428 390 P HA -0.075 nan 4.420 nan 0.000 0.252 390 P C 1.133 178.470 177.300 0.062 0.000 1.694 390 P CA 0.182 63.352 63.100 0.116 0.000 1.163 390 P CB 0.203 31.942 31.700 0.064 0.000 1.934 391 V N 0.377 120.283 119.914 -0.013 0.000 2.407 391 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 391 V C 0.626 176.639 176.094 -0.135 0.000 1.055 391 V CA 1.502 63.703 62.300 -0.165 0.000 1.049 391 V CB -1.248 30.332 31.823 -0.406 0.000 0.662 391 V HN 0.357 nan 8.190 nan 0.000 0.455 392 H N 0.865 120.049 119.070 0.191 0.000 2.530 392 H HA 0.516 5.072 4.556 -0.000 0.000 0.246 392 H C -0.428 175.058 175.328 0.264 0.000 1.346 392 H CA -1.072 55.117 56.048 0.235 0.000 1.424 392 H CB 0.190 30.037 29.762 0.141 0.000 1.445 392 H HN 0.430 nan 8.280 nan 0.000 0.511 393 I N 3.626 124.435 120.570 0.398 0.000 2.278 393 I HA 0.080 4.250 4.170 -0.000 0.000 0.296 393 I C 0.433 176.819 176.117 0.449 0.000 1.121 393 I CA 0.144 61.654 61.300 0.349 0.000 1.267 393 I CB 0.497 38.635 38.000 0.230 0.000 1.447 393 I HN 0.222 nan 8.210 nan 0.000 0.509 394 L N 6.653 128.127 121.223 0.419 0.000 2.352 394 L HA 0.672 5.012 4.340 -0.000 0.000 0.269 394 L C -0.661 176.450 176.870 0.401 0.000 1.034 394 L CA -0.372 54.690 54.840 0.370 0.000 0.806 394 L CB 1.980 44.152 42.059 0.189 0.000 1.244 394 L HN 0.762 nan 8.230 nan 0.000 0.447 395 C N 2.899 122.396 119.300 0.328 0.000 3.175 395 C HA 0.189 4.649 4.460 -0.000 0.000 0.352 395 C C 1.161 176.255 174.990 0.173 0.000 0.938 395 C CA -0.568 58.583 59.018 0.222 0.000 1.236 395 C CB -0.842 26.922 27.740 0.040 0.000 1.623 395 C HN 1.104 nan 8.230 nan 0.000 0.597 396 H N 2.845 121.958 119.070 0.072 0.000 2.362 396 H HA -0.211 4.345 4.556 -0.000 0.000 0.294 396 H C 1.581 176.905 175.328 -0.007 0.000 1.113 396 H CA 2.444 58.510 56.048 0.030 0.000 1.253 396 H CB 0.453 30.236 29.762 0.034 0.000 1.363 396 H HN 0.834 nan 8.280 nan 0.000 0.494 397 N N 0.272 118.967 118.700 -0.008 0.000 2.314 397 N HA 0.091 4.831 4.740 -0.000 0.000 0.200 397 N C 0.483 175.887 175.510 -0.176 0.000 1.135 397 N CA 0.390 53.354 53.050 -0.143 0.000 0.835 397 N CB 0.249 38.620 38.487 -0.193 0.000 0.989 397 N HN 0.233 nan 8.380 nan 0.000 0.478 398 G N -0.106 108.578 108.800 -0.193 0.000 2.580 398 G HA2 0.408 4.368 3.960 -0.000 0.000 0.278 398 G HA3 0.408 4.368 3.960 -0.000 0.000 0.278 398 G C -0.267 174.627 174.900 -0.010 0.000 1.212 398 G CA -0.653 44.272 45.100 -0.292 0.000 0.939 398 G HN 0.576 nan 8.290 nan 0.000 0.513 399 N N -1.760 117.003 118.700 0.104 0.000 2.701 399 N HA 0.342 5.082 4.740 -0.000 0.000 0.290 399 N C 0.869 176.523 175.510 0.241 0.000 1.338 399 N CA -0.979 52.174 53.050 0.172 0.000 0.799 399 N CB 1.479 40.072 38.487 0.175 0.000 1.491 399 N HN 0.218 nan 8.380 nan 0.000 0.540 400 K N 0.309 120.818 120.400 0.182 0.000 2.002 400 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 400 K C 1.775 178.472 176.600 0.161 0.000 1.048 400 K CA 1.209 57.586 56.287 0.150 0.000 0.930 400 K CB -0.411 32.155 32.500 0.111 0.000 0.714 400 K HN 0.658 nan 8.250 nan 0.000 0.438 401 R N -0.629 120.004 120.500 0.222 0.000 2.133 401 R HA -0.216 4.124 4.340 -0.000 0.000 0.247 401 R C 2.177 178.642 176.300 0.275 0.000 1.151 401 R CA 2.229 58.504 56.100 0.292 0.000 0.971 401 R CB -0.481 30.061 30.300 0.404 0.000 0.866 401 R HN 0.343 nan 8.270 nan 0.000 0.447 402 W N 1.292 122.531 121.300 -0.103 0.000 2.380 402 W HA -0.164 4.496 4.660 -0.000 0.000 0.317 402 W C 2.094 178.393 176.519 -0.367 0.000 1.196 402 W CA 1.776 58.679 57.345 -0.736 0.000 1.307 402 W CB -0.467 28.546 29.460 -0.744 0.000 1.157 402 W HN -0.027 nan 8.180 nan 0.000 0.483 403 K N 0.702 121.017 120.400 -0.141 0.000 2.144 403 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 403 K C 2.007 178.421 176.600 -0.311 0.000 1.047 403 K CA 2.357 58.464 56.287 -0.300 0.000 0.927 403 K CB -0.285 32.202 32.500 -0.021 0.000 0.716 403 K HN 0.181 nan 8.250 nan 0.000 0.454 404 K N -0.180 120.123 120.400 -0.161 0.000 1.984 404 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 404 K C 2.271 178.784 176.600 -0.145 0.000 1.046 404 K CA 1.187 57.412 56.287 -0.103 0.000 0.934 404 K CB -0.280 32.218 32.500 -0.004 0.000 0.717 404 K HN 0.225 nan 8.250 nan 0.000 0.438 405 A N 1.346 124.078 122.820 -0.147 0.000 1.958 405 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 405 A C 2.425 179.881 177.584 -0.213 0.000 1.178 405 A CA 1.844 53.820 52.037 -0.102 0.000 0.642 405 A CB -0.880 18.129 19.000 0.015 0.000 0.816 405 A HN 0.101 nan 8.150 nan 0.000 0.453 406 V N 0.392 120.015 119.914 -0.486 0.000 2.270 406 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 406 V C 2.191 178.140 176.094 -0.242 0.000 1.043 406 V CA 2.199 64.226 62.300 -0.455 0.000 1.014 406 V CB -0.801 30.526 31.823 -0.826 0.000 0.645 406 V HN 0.542 nan 8.190 nan 0.000 0.447 407 D N 0.272 120.533 120.400 -0.232 0.000 2.190 407 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 407 D C 2.172 178.425 176.300 -0.078 0.000 0.992 407 D CA 1.674 55.592 54.000 -0.135 0.000 0.854 407 D CB -0.029 40.699 40.800 -0.120 0.000 0.936 407 D HN 0.470 nan 8.370 nan 0.000 0.462 408 A N 0.824 123.604 122.820 -0.066 0.000 1.898 408 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 408 A C 2.337 179.926 177.584 0.008 0.000 1.181 408 A CA 0.743 52.771 52.037 -0.015 0.000 0.620 408 A CB -0.544 18.461 19.000 0.008 0.000 0.819 408 A HN 0.179 nan 8.150 nan 0.000 0.442 409 I N -0.539 120.036 120.570 0.009 0.000 2.315 409 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 409 I C 2.336 178.459 176.117 0.009 0.000 1.117 409 I CA 0.906 62.234 61.300 0.047 0.000 1.404 409 I CB -0.307 37.739 38.000 0.076 0.000 1.071 409 I HN 0.274 nan 8.210 nan 0.000 0.419 410 L N 0.604 121.812 121.223 -0.025 0.000 2.027 410 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 410 L C 2.818 179.680 176.870 -0.014 0.000 1.074 410 L CA 1.275 56.100 54.840 -0.024 0.000 0.745 410 L CB -0.666 41.366 42.059 -0.044 0.000 0.898 410 L HN 0.203 nan 8.230 nan 0.000 0.433 411 A N -0.032 122.777 122.820 -0.019 0.000 2.070 411 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 411 A C 2.155 179.737 177.584 -0.003 0.000 1.159 411 A CA 1.469 53.497 52.037 -0.015 0.000 0.656 411 A CB -0.563 18.427 19.000 -0.017 0.000 0.800 411 A HN 0.394 nan 8.150 nan 0.000 0.453 412 A N -1.011 121.815 122.820 0.010 0.000 2.327 412 A HA 0.469 4.789 4.320 -0.000 0.000 0.228 412 A C 0.800 178.398 177.584 0.024 0.000 1.275 412 A CA 0.749 52.798 52.037 0.021 0.000 0.875 412 A CB -0.417 18.607 19.000 0.040 0.000 0.925 412 A HN 0.569 nan 8.150 nan 0.000 0.493 413 S N -0.988 114.722 115.700 0.017 0.000 2.572 413 S HA 0.526 4.996 4.470 -0.000 0.000 0.274 413 S C -2.478 172.117 174.600 -0.008 0.000 1.150 413 S CA -1.029 57.192 58.200 0.036 0.000 0.944 413 S CB 1.541 64.789 63.200 0.081 0.000 1.071 413 S HN -0.022 nan 8.310 nan 0.000 0.479 414 P HA -0.102 nan 4.420 nan 0.000 0.216 414 P C 0.245 177.364 177.300 -0.302 0.000 1.150 414 P CA 1.315 64.272 63.100 -0.237 0.000 0.843 414 P CB -0.117 31.348 31.700 -0.391 0.000 0.787 415 Y N -1.221 119.054 120.300 -0.042 0.000 2.488 415 Y HA 0.243 4.793 4.550 -0.000 0.000 0.319 415 Y C 2.039 177.908 175.900 -0.051 0.000 1.212 415 Y CA 0.572 58.637 58.100 -0.058 0.000 1.273 415 Y CB -0.874 37.543 38.460 -0.072 0.000 1.074 415 Y HN -0.028 nan 8.280 nan 0.000 0.503 416 G N -1.062 107.755 108.800 0.027 0.000 3.596 416 G HA2 0.038 3.998 3.960 -0.000 0.000 0.274 416 G HA3 0.038 3.998 3.960 -0.000 0.000 0.274 416 G C 1.324 176.213 174.900 -0.018 0.000 1.007 416 G CA -0.296 44.811 45.100 0.011 0.000 0.825 416 G HN 0.205 nan 8.290 nan 0.000 0.508 417 K N 1.095 121.473 120.400 -0.037 0.000 2.032 417 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 417 K C 1.104 177.685 176.600 -0.032 0.000 1.048 417 K CA 1.068 57.330 56.287 -0.043 0.000 0.927 417 K CB -0.026 32.438 32.500 -0.060 0.000 0.712 417 K HN 0.166 nan 8.250 nan 0.000 0.441 418 N N 0.608 119.292 118.700 -0.028 0.000 2.313 418 N HA 0.082 4.822 4.740 -0.000 0.000 0.207 418 N C -0.360 175.141 175.510 -0.016 0.000 1.141 418 N CA 0.030 53.066 53.050 -0.023 0.000 0.830 418 N CB 0.614 39.082 38.487 -0.032 0.000 1.008 418 N HN 0.095 nan 8.380 nan 0.000 0.481 419 A N 0.707 123.522 122.820 -0.009 0.000 2.363 419 A HA 0.506 4.826 4.320 -0.000 0.000 0.270 419 A C 0.170 177.761 177.584 0.011 0.000 1.121 419 A CA 0.170 52.212 52.037 0.009 0.000 0.800 419 A CB 0.434 19.436 19.000 0.003 0.000 1.052 419 A HN 0.056 nan 8.150 nan 0.000 0.493 420 T N 1.911 116.508 114.554 0.071 0.000 2.881 420 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 420 T C -0.597 174.111 174.700 0.013 0.000 1.000 420 T CA -0.377 61.716 62.100 -0.011 0.000 0.978 420 T CB 1.377 70.261 68.868 0.026 0.000 0.997 420 T HN 0.449 nan 8.240 nan 0.000 0.443 421 V N 3.847 123.672 119.914 -0.148 0.000 2.472 421 V HA 0.573 4.693 4.120 -0.000 0.000 0.290 421 V C -1.216 174.829 176.094 -0.082 0.000 1.037 421 V CA -0.775 61.522 62.300 -0.006 0.000 0.908 421 V CB 0.796 32.557 31.823 -0.102 0.000 0.985 421 V HN 0.797 nan 8.190 nan 0.000 0.454 422 Y N 4.509 124.908 120.300 0.166 0.000 2.425 422 Y HA 0.768 5.318 4.550 -0.000 0.000 0.344 422 Y C 0.078 176.086 175.900 0.181 0.000 0.969 422 Y CA -1.135 57.056 58.100 0.151 0.000 1.052 422 Y CB 1.801 40.343 38.460 0.137 0.000 1.215 422 Y HN 0.631 nan 8.280 nan 0.000 0.451 423 I N -1.474 119.270 120.570 0.290 0.000 2.785 423 I HA 0.907 5.077 4.170 -0.000 0.000 0.302 423 I C 0.727 176.936 176.117 0.153 0.000 1.069 423 I CA -0.841 60.603 61.300 0.239 0.000 1.045 423 I CB 2.325 40.473 38.000 0.246 0.000 1.236 423 I HN 0.713 nan 8.210 nan 0.000 0.429 424 G N 2.784 111.690 108.800 0.176 0.000 2.304 424 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 424 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 424 G C 0.308 175.206 174.900 -0.004 0.000 1.014 424 G CA 0.017 45.224 45.100 0.178 0.000 0.619 424 G HN 0.643 nan 8.290 nan 0.000 0.525 425 K N 1.874 122.166 120.400 -0.180 0.000 2.202 425 K HA 0.500 4.820 4.320 -0.000 0.000 0.264 425 K C 0.437 176.773 176.600 -0.439 0.000 1.010 425 K CA 0.371 56.326 56.287 -0.553 0.000 0.940 425 K CB 1.089 33.162 32.500 -0.711 0.000 0.983 425 K HN 0.668 nan 8.250 nan 0.000 0.475 426 D N -0.873 119.467 120.400 -0.100 0.000 2.616 426 D HA 0.184 4.824 4.640 -0.000 0.000 0.260 426 D C 1.065 177.262 176.300 -0.172 0.000 1.158 426 D CA -0.702 53.124 54.000 -0.290 0.000 1.085 426 D CB 0.319 40.938 40.800 -0.301 0.000 1.222 426 D HN 0.242 nan 8.370 nan 0.000 0.626 427 L N -0.803 120.277 121.223 -0.239 0.000 2.362 427 L HA 0.005 4.345 4.340 -0.000 0.000 0.219 427 L C 1.614 178.384 176.870 -0.166 0.000 1.134 427 L CA 0.433 55.099 54.840 -0.289 0.000 0.807 427 L CB -0.245 41.634 42.059 -0.299 0.000 0.927 427 L HN 0.501 nan 8.230 nan 0.000 0.447 428 W N 0.237 121.364 121.300 -0.289 0.000 2.658 428 W HA -0.090 4.570 4.660 -0.000 0.000 0.263 428 W C 2.026 178.368 176.519 -0.294 0.000 1.274 428 W CA 0.939 58.120 57.345 -0.273 0.000 1.343 428 W CB 0.055 29.327 29.460 -0.313 0.000 1.106 428 W HN 0.311 nan 8.180 nan 0.000 0.615 429 H N -0.049 118.874 119.070 -0.245 0.000 2.317 429 H HA -0.160 4.396 4.556 -0.000 0.000 0.304 429 H C 2.067 177.221 175.328 -0.290 0.000 1.067 429 H CA 1.999 57.822 56.048 -0.375 0.000 1.352 429 H CB -0.749 28.611 29.762 -0.670 0.000 1.398 429 H HN -0.029 nan 8.280 nan 0.000 0.510 430 L N 1.322 122.431 121.223 -0.190 0.000 2.089 430 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 430 L C 2.454 179.161 176.870 -0.272 0.000 1.079 430 L CA 1.571 56.257 54.840 -0.257 0.000 0.758 430 L CB -0.468 41.409 42.059 -0.303 0.000 0.891 430 L HN 0.169 nan 8.230 nan 0.000 0.433 431 R N -1.185 119.110 120.500 -0.341 0.000 2.103 431 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 431 R C 2.115 178.246 176.300 -0.281 0.000 1.142 431 R CA 1.980 57.836 56.100 -0.406 0.000 0.960 431 R CB -0.258 29.634 30.300 -0.680 0.000 0.858 431 R HN 0.474 nan 8.270 nan 0.000 0.439 432 S N 0.996 116.575 115.700 -0.202 0.000 2.357 432 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 432 S C 1.929 176.506 174.600 -0.039 0.000 1.031 432 S CA 1.046 59.234 58.200 -0.020 0.000 0.982 432 S CB -0.200 63.020 63.200 0.032 0.000 0.853 432 S HN 0.289 nan 8.310 nan 0.000 0.458 433 L N 1.924 123.057 121.223 -0.150 0.000 2.189 433 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 433 L C 2.299 179.041 176.870 -0.213 0.000 1.097 433 L CA 1.012 55.643 54.840 -0.349 0.000 0.764 433 L CB -0.891 40.687 42.059 -0.801 0.000 0.900 433 L HN 0.344 nan 8.230 nan 0.000 0.436 434 V N -6.117 113.701 119.914 -0.160 0.000 3.406 434 V HA -0.023 4.097 4.120 -0.000 0.000 0.263 434 V C 1.933 177.946 176.094 -0.134 0.000 1.172 434 V CA 0.657 62.897 62.300 -0.099 0.000 1.140 434 V CB -0.511 31.196 31.823 -0.193 0.000 0.784 434 V HN 0.118 nan 8.190 nan 0.000 0.467 435 F N 2.405 122.308 119.950 -0.078 0.000 2.243 435 F HA 0.091 4.618 4.527 -0.000 0.000 0.287 435 F C 2.834 178.593 175.800 -0.068 0.000 1.067 435 F CA 1.754 59.693 58.000 -0.101 0.000 1.304 435 F CB -0.803 38.073 39.000 -0.207 0.000 1.087 435 F HN 0.292 nan 8.300 nan 0.000 0.513 436 T N -2.331 112.308 114.554 0.141 0.000 2.668 436 T HA -0.161 4.189 4.350 -0.000 0.000 0.262 436 T C 0.890 175.642 174.700 0.088 0.000 1.045 436 T CA 1.394 63.535 62.100 0.069 0.000 1.152 436 T CB -0.522 68.358 68.868 0.020 0.000 0.864 436 T HN 0.004 nan 8.240 nan 0.000 0.419 437 D N 1.529 122.003 120.400 0.124 0.000 2.514 437 D HA 0.239 4.879 4.640 -0.000 0.000 0.267 437 D C -0.448 175.981 176.300 0.216 0.000 1.165 437 D CA -0.519 53.585 54.000 0.174 0.000 0.958 437 D CB 0.109 41.061 40.800 0.254 0.000 0.992 437 D HN 0.429 nan 8.370 nan 0.000 0.506 438 K N 3.337 123.809 120.400 0.120 0.000 2.447 438 K HA 0.144 4.464 4.320 -0.000 0.000 0.281 438 K C -2.174 174.428 176.600 0.004 0.000 1.031 438 K CA -0.864 55.466 56.287 0.072 0.000 1.019 438 K CB 0.730 33.275 32.500 0.074 0.000 0.918 438 K HN 0.244 nan 8.250 nan 0.000 0.476 439 P HA 0.229 nan 4.420 nan 0.000 0.321 439 P C -0.640 176.543 177.300 -0.195 0.000 1.304 439 P CA -0.285 62.757 63.100 -0.097 0.000 0.759 439 P CB 0.867 32.558 31.700 -0.016 0.000 1.385 440 D N -2.049 118.148 120.400 -0.338 0.000 2.423 440 D HA 0.240 4.880 4.640 -0.000 0.000 0.212 440 D C 0.013 175.709 176.300 -1.008 0.000 1.060 440 D CA 0.961 54.579 54.000 -0.637 0.000 0.872 440 D CB 0.316 40.702 40.800 -0.690 0.000 1.012 440 D HN 0.224 nan 8.370 nan 0.000 0.503 441 F N -0.472 119.432 119.950 -0.077 0.000 2.773 441 F HA 0.412 4.939 4.527 -0.000 0.000 0.314 441 F C -0.751 175.181 175.800 0.221 0.000 1.160 441 F CA -0.924 57.134 58.000 0.097 0.000 0.920 441 F CB 1.231 40.364 39.000 0.222 0.000 1.323 441 F HN -0.431 nan 8.300 nan 0.000 0.457 442 M N 2.701 122.569 119.600 0.448 0.000 2.393 442 M HA 0.583 5.062 4.480 -0.000 0.000 0.316 442 M C -1.349 175.091 176.300 0.235 0.000 1.087 442 M CA -0.448 55.074 55.300 0.371 0.000 0.937 442 M CB 2.512 35.354 32.600 0.404 0.000 1.668 442 M HN 0.360 nan 8.290 nan 0.000 0.438 443 I N 2.361 122.984 120.570 0.088 0.000 2.390 443 I HA 0.724 4.894 4.170 -0.000 0.000 0.283 443 I C 0.196 176.048 176.117 -0.442 0.000 1.016 443 I CA -0.247 60.989 61.300 -0.107 0.000 1.151 443 I CB 1.376 39.299 38.000 -0.128 0.000 1.293 443 I HN 0.904 nan 8.210 nan 0.000 0.458 444 G N 4.638 113.066 108.800 -0.620 0.000 2.490 444 G HA2 0.223 4.183 3.960 -0.000 0.000 0.308 444 G HA3 0.223 4.183 3.960 -0.000 0.000 0.308 444 G C -1.462 173.095 174.900 -0.571 0.000 1.286 444 G CA -0.763 43.575 45.100 -1.270 0.000 0.825 444 G HN 0.572 nan 8.290 nan 0.000 0.479 445 N N -0.864 117.626 118.700 -0.351 0.000 2.364 445 N HA 0.322 5.062 4.740 -0.000 0.000 0.264 445 N C 1.264 176.794 175.510 0.032 0.000 1.263 445 N CA 0.411 53.412 53.050 -0.081 0.000 0.959 445 N CB 0.745 39.206 38.487 -0.043 0.000 1.204 445 N HN 0.247 nan 8.380 nan 0.000 0.550 446 S N -1.467 114.115 115.700 -0.196 0.000 2.419 446 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 446 S C 1.197 175.748 174.600 -0.082 0.000 1.019 446 S CA 0.871 58.944 58.200 -0.211 0.000 0.982 446 S CB -0.781 62.183 63.200 -0.393 0.000 0.789 446 S HN 0.507 nan 8.310 nan 0.000 0.490 447 Y N 1.629 122.034 120.300 0.176 0.000 2.465 447 Y HA -0.057 4.493 4.550 -0.000 0.000 0.289 447 Y C 2.447 178.538 175.900 0.319 0.000 1.150 447 Y CA 0.428 58.707 58.100 0.298 0.000 1.293 447 Y CB -0.983 37.650 38.460 0.288 0.000 0.977 447 Y HN 0.342 nan 8.280 nan 0.000 0.556 448 G N -0.039 109.058 108.800 0.495 0.000 2.712 448 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.212 448 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.212 448 G C 1.694 176.722 174.900 0.213 0.000 1.142 448 G CA 0.514 45.885 45.100 0.453 0.000 0.789 448 G HN 0.507 nan 8.290 nan 0.000 0.535 449 K N -0.194 120.205 120.400 -0.002 0.000 2.160 449 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 449 K C 1.779 178.269 176.600 -0.183 0.000 1.047 449 K CA 1.270 57.447 56.287 -0.182 0.000 0.930 449 K CB -0.464 31.798 32.500 -0.397 0.000 0.720 449 K HN 0.241 nan 8.250 nan 0.000 0.450 450 F N 1.370 121.398 119.950 0.130 0.000 2.060 450 F HA -0.055 4.472 4.527 -0.000 0.000 0.295 450 F C 2.187 178.039 175.800 0.087 0.000 1.120 450 F CA 0.631 58.700 58.000 0.114 0.000 1.205 450 F CB -0.782 38.302 39.000 0.140 0.000 0.986 450 F HN -0.128 nan 8.300 nan 0.000 0.470 451 I N 0.490 121.207 120.570 0.245 0.000 2.227 451 I HA -0.388 3.782 4.170 -0.000 0.000 0.250 451 I C 2.530 178.671 176.117 0.040 0.000 1.087 451 I CA 1.635 62.977 61.300 0.069 0.000 1.352 451 I CB -0.989 37.011 38.000 -0.001 0.000 1.043 451 I HN 0.273 nan 8.210 nan 0.000 0.425 452 Q N 0.429 120.277 119.800 0.080 0.000 2.020 452 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 452 Q C 2.513 178.568 176.000 0.091 0.000 0.982 452 Q CA 1.911 57.752 55.803 0.063 0.000 0.838 452 Q CB -0.252 28.525 28.738 0.064 0.000 0.899 452 Q HN 0.416 nan 8.270 nan 0.000 0.423 453 R N 0.099 120.669 120.500 0.117 0.000 2.134 453 R HA -0.245 4.095 4.340 -0.000 0.000 0.248 453 R C 1.381 177.804 176.300 0.205 0.000 1.143 453 R CA 2.411 58.598 56.100 0.144 0.000 0.957 453 R CB -0.368 30.037 30.300 0.173 0.000 0.867 453 R HN 0.408 nan 8.270 nan 0.000 0.441 454 D N -0.540 120.006 120.400 0.244 0.000 2.092 454 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 454 D C 1.958 178.525 176.300 0.446 0.000 0.994 454 D CA 2.342 56.582 54.000 0.400 0.000 0.828 454 D CB -0.538 40.479 40.800 0.362 0.000 0.963 454 D HN 0.504 nan 8.370 nan 0.000 0.450 455 T N -0.698 113.935 114.554 0.132 0.000 2.778 455 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 455 T C 1.851 176.722 174.700 0.286 0.000 1.050 455 T CA 0.912 63.059 62.100 0.079 0.000 1.137 455 T CB -0.407 68.402 68.868 -0.099 0.000 0.860 455 T HN 0.078 nan 8.240 nan 0.000 0.468 456 L N 0.709 122.077 121.223 0.242 0.000 2.095 456 L HA 0.151 4.491 4.340 -0.000 0.000 0.204 456 L C 2.456 179.492 176.870 0.278 0.000 1.080 456 L CA 1.803 56.779 54.840 0.226 0.000 0.759 456 L CB -1.160 40.991 42.059 0.152 0.000 0.914 456 L HN 0.345 nan 8.230 nan 0.000 0.439 457 H N 0.292 119.468 119.070 0.177 0.000 2.431 457 H HA -0.262 4.294 4.556 -0.000 0.000 0.297 457 H C 2.220 177.632 175.328 0.139 0.000 1.115 457 H CA 2.316 58.396 56.048 0.052 0.000 1.277 457 H CB -0.015 29.643 29.762 -0.172 0.000 1.372 457 H HN 0.427 nan 8.280 nan 0.000 0.516 458 K N -0.572 120.025 120.400 0.329 0.000 2.228 458 K HA 0.082 4.402 4.320 -0.000 0.000 0.202 458 K C 0.042 176.815 176.600 0.289 0.000 1.051 458 K CA 0.835 57.276 56.287 0.256 0.000 0.960 458 K CB 0.268 32.904 32.500 0.225 0.000 0.743 458 K HN 0.432 nan 8.250 nan 0.000 0.458 459 G N 0.210 109.250 108.800 0.400 0.000 2.352 459 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.303 459 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.303 459 G C -0.750 174.299 174.900 0.248 0.000 1.593 459 G CA -0.391 44.948 45.100 0.398 0.000 0.963 459 G HN -0.032 nan 8.290 nan 0.000 0.685 460 K N 0.665 121.117 120.400 0.086 0.000 2.032 460 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 460 K C 2.395 178.938 176.600 -0.096 0.000 1.048 460 K CA 2.538 58.829 56.287 0.007 0.000 0.927 460 K CB -0.064 32.425 32.500 -0.018 0.000 0.712 460 K HN 0.670 nan 8.250 nan 0.000 0.441 461 E N -0.565 119.473 120.200 -0.270 0.000 2.463 461 E HA -0.186 4.164 4.350 -0.000 0.000 0.201 461 E C 0.986 177.214 176.600 -0.619 0.000 1.045 461 E CA 0.969 57.080 56.400 -0.481 0.000 0.872 461 E CB -0.222 29.094 29.700 -0.641 0.000 0.797 461 E HN 0.383 nan 8.360 nan 0.000 0.538 462 F N 1.285 121.248 119.950 0.022 0.000 2.694 462 F HA 0.240 4.767 4.527 -0.000 0.000 0.292 462 F C 1.199 176.997 175.800 -0.003 0.000 1.121 462 F CA -0.578 57.443 58.000 0.034 0.000 1.352 462 F CB 0.018 39.087 39.000 0.115 0.000 1.107 462 F HN -0.073 nan 8.300 nan 0.000 0.597 463 E N 1.661 121.936 120.200 0.125 0.000 2.481 463 E HA 0.123 4.473 4.350 -0.000 0.000 0.263 463 E C -0.950 175.641 176.600 -0.015 0.000 0.992 463 E CA 0.107 56.545 56.400 0.063 0.000 0.938 463 E CB 0.778 30.509 29.700 0.052 0.000 0.933 463 E HN -0.101 nan 8.360 nan 0.000 0.453 464 V N 7.209 127.111 119.914 -0.021 0.000 2.376 464 V HA 0.263 4.383 4.120 -0.000 0.000 0.287 464 V C -2.305 173.813 176.094 0.039 0.000 1.015 464 V CA -1.844 60.427 62.300 -0.050 0.000 0.834 464 V CB 1.585 33.379 31.823 -0.048 0.000 1.001 464 V HN 0.719 nan 8.190 nan 0.000 0.428 465 P HA 0.148 nan 4.420 nan 0.000 0.271 465 P C -0.624 176.863 177.300 0.312 0.000 1.220 465 P CA -0.238 63.001 63.100 0.231 0.000 0.768 465 P CB 0.638 32.566 31.700 0.381 0.000 0.848 466 L N 5.421 126.763 121.223 0.198 0.000 2.326 466 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 466 L C -0.727 176.211 176.870 0.113 0.000 1.092 466 L CA 0.059 55.004 54.840 0.174 0.000 0.810 466 L CB 0.015 42.153 42.059 0.131 0.000 1.153 466 L HN 0.282 nan 8.230 nan 0.000 0.439 467 I N 5.780 126.398 120.570 0.080 0.000 2.428 467 I HA 0.348 4.518 4.170 -0.000 0.000 0.279 467 I C -0.013 176.086 176.117 -0.030 0.000 1.040 467 I CA -0.603 60.696 61.300 -0.002 0.000 1.171 467 I CB 0.505 38.480 38.000 -0.041 0.000 1.312 467 I HN 0.573 nan 8.210 nan 0.000 0.470 468 R N 7.266 127.748 120.500 -0.030 0.000 2.446 468 R HA 0.378 4.718 4.340 -0.000 0.000 0.325 468 R C -0.723 175.580 176.300 0.006 0.000 0.997 468 R CA 0.511 56.589 56.100 -0.037 0.000 1.010 468 R CB 0.083 30.359 30.300 -0.040 0.000 0.946 468 R HN 0.548 nan 8.270 nan 0.000 0.422 469 I N 2.042 122.622 120.570 0.017 0.000 2.599 469 I HA 0.390 4.560 4.170 -0.000 0.000 0.285 469 I C 0.406 176.555 176.117 0.053 0.000 1.168 469 I CA -0.489 60.901 61.300 0.150 0.000 1.060 469 I CB 2.015 40.135 38.000 0.199 0.000 1.249 469 I HN 0.900 nan 8.210 nan 0.000 0.442 470 G N 5.404 114.159 108.800 -0.075 0.000 2.384 470 G HA2 0.219 4.179 3.960 -0.000 0.000 0.113 470 G HA3 0.219 4.179 3.960 -0.000 0.000 0.113 470 G C -1.916 172.804 174.900 -0.300 0.000 1.224 470 G CA -0.391 44.428 45.100 -0.468 0.000 1.126 470 G HN 0.525 nan 8.290 nan 0.000 0.461 471 F N 2.006 121.724 119.950 -0.387 0.000 2.669 471 F HA 0.642 5.169 4.527 -0.000 0.000 0.315 471 F C -2.624 173.026 175.800 -0.249 0.000 1.109 471 F CA -1.070 56.672 58.000 -0.429 0.000 1.028 471 F CB 2.388 41.142 39.000 -0.409 0.000 1.287 471 F HN 0.496 nan 8.300 nan 0.000 0.452 472 P HA 0.589 nan 4.420 nan 0.000 0.283 472 P C -1.209 175.350 177.300 -1.236 0.000 1.271 472 P CA -0.452 61.565 63.100 -1.805 0.000 0.841 472 P CB 2.628 32.960 31.700 -2.280 0.000 1.122 473 I N 1.288 121.288 120.570 -0.949 0.000 2.439 473 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 473 I C 0.006 175.832 176.117 -0.485 0.000 1.021 473 I CA -0.430 60.528 61.300 -0.569 0.000 1.091 473 I CB 1.451 39.380 38.000 -0.118 0.000 1.242 473 I HN 0.193 nan 8.210 nan 0.000 0.439 474 F N 2.028 121.877 119.950 -0.168 0.000 2.747 474 F HA 0.054 4.581 4.527 -0.000 0.000 0.305 474 F C 1.781 177.536 175.800 -0.074 0.000 1.065 474 F CA -0.393 57.526 58.000 -0.135 0.000 1.230 474 F CB -0.096 38.798 39.000 -0.177 0.000 1.027 474 F HN 0.444 nan 8.300 nan 0.000 0.607 475 D N 0.534 120.972 120.400 0.063 0.000 2.352 475 D HA 0.078 4.718 4.640 -0.000 0.000 0.236 475 D C 0.342 176.626 176.300 -0.026 0.000 1.148 475 D CA 0.364 54.367 54.000 0.005 0.000 0.844 475 D CB 0.171 40.938 40.800 -0.056 0.000 0.933 475 D HN 0.055 nan 8.370 nan 0.000 0.507 476 R N -0.453 120.060 120.500 0.021 0.000 2.710 476 R HA 0.364 4.704 4.340 -0.000 0.000 0.270 476 R C -0.913 175.467 176.300 0.133 0.000 1.021 476 R CA -0.584 55.514 56.100 -0.004 0.000 0.889 476 R CB 1.367 31.653 30.300 -0.023 0.000 1.243 476 R HN 0.229 nan 8.270 nan 0.000 0.464 477 H N 1.242 120.230 119.070 -0.137 0.000 2.492 477 H HA 0.273 4.829 4.556 -0.000 0.000 0.345 477 H C -0.148 175.058 175.328 -0.202 0.000 1.136 477 H CA -0.685 55.189 56.048 -0.290 0.000 1.202 477 H CB 1.231 30.714 29.762 -0.465 0.000 1.524 477 H HN 0.623 nan 8.280 nan 0.000 0.506 478 H N 1.293 120.469 119.070 0.177 0.000 2.921 478 H HA -0.186 4.370 4.556 -0.000 0.000 0.281 478 H C 1.115 176.478 175.328 0.058 0.000 1.165 478 H CA 0.579 56.739 56.048 0.187 0.000 1.151 478 H CB -1.412 28.396 29.762 0.077 0.000 1.311 478 H HN 0.665 nan 8.280 nan 0.000 0.361 479 L N 0.852 122.142 121.223 0.112 0.000 2.376 479 L HA -0.104 4.236 4.340 -0.000 0.000 0.219 479 L C 2.694 179.438 176.870 -0.210 0.000 1.133 479 L CA 1.209 56.011 54.840 -0.063 0.000 0.816 479 L CB -0.377 41.644 42.059 -0.064 0.000 0.933 479 L HN 0.469 nan 8.230 nan 0.000 0.449 480 H N 0.049 118.982 119.070 -0.229 0.000 2.567 480 H HA -0.077 4.479 4.556 -0.000 0.000 0.276 480 H C 1.505 176.755 175.328 -0.130 0.000 1.016 480 H CA 0.523 56.442 56.048 -0.215 0.000 1.186 480 H CB -0.342 29.281 29.762 -0.232 0.000 1.351 480 H HN 0.351 nan 8.280 nan 0.000 0.605 481 R N 0.540 120.744 120.500 -0.494 0.000 2.317 481 R HA 0.163 4.503 4.340 -0.000 0.000 0.208 481 R C 0.596 176.730 176.300 -0.276 0.000 0.914 481 R CA -0.076 55.789 56.100 -0.392 0.000 1.060 481 R CB 0.486 30.582 30.300 -0.339 0.000 1.015 481 R HN 0.084 nan 8.270 nan 0.000 0.498 482 S N 0.448 115.918 115.700 -0.384 0.000 2.641 482 S HA 0.112 4.582 4.470 -0.000 0.000 0.251 482 S C 0.338 174.796 174.600 -0.237 0.000 1.332 482 S CA 0.211 58.201 58.200 -0.350 0.000 0.968 482 S CB 0.833 63.723 63.200 -0.517 0.000 0.987 482 S HN 0.129 nan 8.310 nan 0.000 0.587 483 T N 0.245 114.730 114.554 -0.115 0.000 2.971 483 T HA 0.456 4.806 4.350 -0.000 0.000 0.304 483 T C 0.653 175.385 174.700 0.054 0.000 1.038 483 T CA -0.644 61.448 62.100 -0.014 0.000 1.007 483 T CB 1.643 70.487 68.868 -0.039 0.000 1.055 483 T HN 0.688 nan 8.240 nan 0.000 0.451 484 T N -0.004 114.615 114.554 0.108 0.000 2.964 484 T HA 0.360 4.710 4.350 -0.000 0.000 0.249 484 T C 0.695 175.391 174.700 -0.007 0.000 1.000 484 T CA -0.188 61.973 62.100 0.102 0.000 0.992 484 T CB -0.147 68.851 68.868 0.216 0.000 1.087 484 T HN 0.415 nan 8.240 nan 0.000 0.489 485 L N 2.087 123.279 121.223 -0.052 0.000 2.453 485 L HA 0.560 4.900 4.340 -0.000 0.000 0.261 485 L C 1.522 178.296 176.870 -0.159 0.000 1.179 485 L CA 0.335 55.099 54.840 -0.128 0.000 0.813 485 L CB -0.239 41.710 42.059 -0.184 0.000 1.110 485 L HN 0.662 nan 8.230 nan 0.000 0.466 486 G N 0.165 108.833 108.800 -0.221 0.000 2.749 486 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.242 486 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.242 486 G C 0.012 174.848 174.900 -0.106 0.000 1.364 486 G CA 0.246 45.192 45.100 -0.256 0.000 0.888 486 G HN 0.549 nan 8.290 nan 0.000 0.566 487 Y N 0.200 120.440 120.300 -0.100 0.000 2.242 487 Y HA -0.002 4.548 4.550 -0.000 0.000 0.291 487 Y C 2.782 178.630 175.900 -0.087 0.000 1.137 487 Y CA 1.762 59.806 58.100 -0.094 0.000 1.181 487 Y CB -0.700 37.733 38.460 -0.045 0.000 0.989 487 Y HN 0.815 nan 8.280 nan 0.000 0.527 488 E N -0.026 120.217 120.200 0.073 0.000 2.023 488 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 488 E C 2.577 179.174 176.600 -0.005 0.000 1.003 488 E CA 1.343 57.758 56.400 0.025 0.000 0.809 488 E CB -0.550 29.147 29.700 -0.006 0.000 0.755 488 E HN 0.432 nan 8.360 nan 0.000 0.449 489 G N 0.954 109.733 108.800 -0.036 0.000 2.545 489 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.217 489 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.217 489 G C 1.693 176.545 174.900 -0.081 0.000 1.218 489 G CA 1.885 46.956 45.100 -0.048 0.000 0.787 489 G HN 0.497 nan 8.290 nan 0.000 0.571 490 A N 0.685 123.393 122.820 -0.187 0.000 1.894 490 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 490 A C 2.522 180.078 177.584 -0.048 0.000 1.237 490 A CA 2.803 54.615 52.037 -0.374 0.000 0.660 490 A CB -0.636 18.111 19.000 -0.421 0.000 0.835 490 A HN 0.445 nan 8.150 nan 0.000 0.461 491 M N -1.541 118.061 119.600 0.003 0.000 2.082 491 M HA -0.304 4.176 4.480 -0.000 0.000 0.258 491 M C 2.565 178.893 176.300 0.047 0.000 1.071 491 M CA 2.313 57.641 55.300 0.047 0.000 1.103 491 M CB -0.687 31.931 32.600 0.030 0.000 1.307 491 M HN 0.553 nan 8.290 nan 0.000 0.409 492 Q N 0.382 120.195 119.800 0.021 0.000 1.998 492 Q HA -0.226 4.114 4.340 -0.000 0.000 0.209 492 Q C 2.032 178.054 176.000 0.036 0.000 1.002 492 Q CA 2.033 57.845 55.803 0.014 0.000 0.858 492 Q CB -0.431 28.305 28.738 -0.004 0.000 0.932 492 Q HN 0.532 nan 8.270 nan 0.000 0.416 493 I N 0.668 121.277 120.570 0.065 0.000 2.113 493 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 493 I C 2.483 178.663 176.117 0.105 0.000 1.064 493 I CA 1.152 62.511 61.300 0.097 0.000 1.320 493 I CB -0.384 37.717 38.000 0.169 0.000 1.028 493 I HN 0.304 nan 8.210 nan 0.000 0.406 494 L N 0.124 121.464 121.223 0.196 0.000 2.043 494 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 494 L C 2.543 179.440 176.870 0.046 0.000 1.075 494 L CA 1.964 56.884 54.840 0.133 0.000 0.752 494 L CB -0.368 41.806 42.059 0.193 0.000 0.891 494 L HN 0.301 nan 8.230 nan 0.000 0.432 495 T N -1.300 113.276 114.554 0.037 0.000 2.732 495 T HA -0.160 4.190 4.350 -0.000 0.000 0.261 495 T C 1.720 176.403 174.700 -0.027 0.000 1.040 495 T CA 1.793 63.895 62.100 0.004 0.000 1.145 495 T CB -0.386 68.483 68.868 0.001 0.000 0.866 495 T HN 0.399 nan 8.240 nan 0.000 0.427 496 T N 2.664 117.201 114.554 -0.028 0.000 2.760 496 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 496 T C 1.770 176.412 174.700 -0.098 0.000 1.047 496 T CA 0.924 62.990 62.100 -0.057 0.000 1.139 496 T CB -0.454 68.388 68.868 -0.043 0.000 0.855 496 T HN 0.207 nan 8.240 nan 0.000 0.471 497 L N 0.050 121.220 121.223 -0.088 0.000 1.947 497 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 497 L C 2.621 179.427 176.870 -0.106 0.000 1.098 497 L CA 0.826 55.594 54.840 -0.120 0.000 0.767 497 L CB -1.108 40.891 42.059 -0.101 0.000 0.891 497 L HN 0.053 nan 8.230 nan 0.000 0.436 498 V N 0.667 120.560 119.914 -0.035 0.000 2.311 498 V HA -0.441 3.679 4.120 -0.000 0.000 0.259 498 V C 1.997 178.029 176.094 -0.104 0.000 1.086 498 V CA 2.827 65.117 62.300 -0.017 0.000 1.078 498 V CB -0.658 31.184 31.823 0.032 0.000 0.668 498 V HN 0.562 nan 8.190 nan 0.000 0.452 499 N N -0.964 117.671 118.700 -0.107 0.000 2.216 499 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 499 N C 1.980 177.396 175.510 -0.157 0.000 1.017 499 N CA 1.229 54.200 53.050 -0.131 0.000 0.861 499 N CB -0.163 38.266 38.487 -0.095 0.000 0.986 499 N HN 0.471 nan 8.380 nan 0.000 0.428 500 S N 0.924 116.505 115.700 -0.198 0.000 2.370 500 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 500 S C 1.907 176.344 174.600 -0.271 0.000 1.033 500 S CA 0.744 58.780 58.200 -0.273 0.000 1.011 500 S CB -0.123 62.808 63.200 -0.448 0.000 0.852 500 S HN 0.239 nan 8.310 nan 0.000 0.457 501 I N 1.191 121.597 120.570 -0.272 0.000 2.072 501 I HA -0.220 3.950 4.170 -0.000 0.000 0.235 501 I C 2.133 178.212 176.117 -0.064 0.000 1.058 501 I CA 1.327 62.628 61.300 0.001 0.000 1.320 501 I CB -0.504 37.526 38.000 0.050 0.000 1.047 501 I HN 0.249 nan 8.210 nan 0.000 0.397 502 L N 0.364 121.437 121.223 -0.250 0.000 2.081 502 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 502 L C 2.540 179.286 176.870 -0.206 0.000 1.080 502 L CA 1.350 55.965 54.840 -0.375 0.000 0.754 502 L CB -0.576 41.203 42.059 -0.467 0.000 0.893 502 L HN 0.295 nan 8.230 nan 0.000 0.433 503 E N 0.450 120.569 120.200 -0.134 0.000 2.070 503 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 503 E C 2.201 178.784 176.600 -0.028 0.000 1.004 503 E CA 1.621 57.976 56.400 -0.076 0.000 0.805 503 E CB -0.032 29.631 29.700 -0.062 0.000 0.744 503 E HN 0.197 nan 8.360 nan 0.000 0.451 504 R N -0.333 120.179 120.500 0.020 0.000 2.115 504 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 504 R C 2.164 178.469 176.300 0.007 0.000 1.100 504 R CA 0.985 57.120 56.100 0.058 0.000 0.980 504 R CB -0.599 29.810 30.300 0.182 0.000 0.875 504 R HN 0.327 nan 8.270 nan 0.000 0.445 505 L N 0.643 121.844 121.223 -0.037 0.000 2.141 505 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 505 L C 1.063 177.912 176.870 -0.035 0.000 1.094 505 L CA 1.908 56.708 54.840 -0.066 0.000 0.763 505 L CB -0.552 41.411 42.059 -0.160 0.000 0.908 505 L HN 0.162 nan 8.230 nan 0.000 0.437 506 D N -0.329 120.054 120.400 -0.028 0.000 2.084 506 D HA -0.233 4.407 4.640 -0.000 0.000 0.196 506 D C 2.077 178.438 176.300 0.101 0.000 0.985 506 D CA 1.490 55.540 54.000 0.082 0.000 0.826 506 D CB -0.050 40.768 40.800 0.031 0.000 0.978 506 D HN 0.555 nan 8.370 nan 0.000 0.456 507 E N 0.611 120.833 120.200 0.037 0.000 2.171 507 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 507 E C 1.405 177.988 176.600 -0.028 0.000 0.997 507 E CA 1.182 57.586 56.400 0.007 0.000 0.810 507 E CB 0.024 29.728 29.700 0.007 0.000 0.738 507 E HN 0.362 nan 8.360 nan 0.000 0.467 508 E N -0.684 119.498 120.200 -0.030 0.000 2.435 508 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 508 E C 0.901 177.452 176.600 -0.082 0.000 1.029 508 E CA 1.202 57.570 56.400 -0.053 0.000 0.865 508 E CB 0.382 30.051 29.700 -0.052 0.000 0.833 508 E HN 0.335 nan 8.360 nan 0.000 0.510 509 T N -2.161 112.338 114.554 -0.091 0.000 3.296 509 T HA 0.252 4.602 4.350 -0.000 0.000 0.285 509 T C 1.018 175.487 174.700 -0.386 0.000 1.014 509 T CA -0.552 61.450 62.100 -0.163 0.000 0.920 509 T CB 0.315 69.123 68.868 -0.101 0.000 1.143 509 T HN -0.074 nan 8.240 nan 0.000 0.522 510 R N 1.091 121.356 120.500 -0.392 0.000 2.300 510 R HA 0.309 4.649 4.340 -0.000 0.000 0.199 510 R C 1.155 177.273 176.300 -0.303 0.000 0.920 510 R CA -0.037 55.715 56.100 -0.579 0.000 1.046 510 R CB -0.318 29.797 30.300 -0.309 0.000 0.984 510 R HN 0.432 nan 8.270 nan 0.000 0.493 511 G N 1.759 110.445 108.800 -0.190 0.000 2.298 511 G HA2 0.078 4.038 3.960 -0.000 0.000 0.263 511 G HA3 0.078 4.038 3.960 -0.000 0.000 0.263 511 G C -0.236 174.615 174.900 -0.081 0.000 1.229 511 G CA -0.387 44.652 45.100 -0.101 0.000 0.976 511 G HN 0.184 nan 8.290 nan 0.000 0.459 512 M N 2.274 121.839 119.600 -0.057 0.000 2.248 512 M HA 0.085 4.565 4.480 -0.000 0.000 0.345 512 M C 1.046 177.346 176.300 -0.000 0.000 1.243 512 M CA 0.433 55.716 55.300 -0.028 0.000 1.090 512 M CB 0.161 32.750 32.600 -0.018 0.000 1.683 512 M HN 0.791 nan 8.290 nan 0.000 0.450 513 Q N 2.743 122.555 119.800 0.020 0.000 2.426 513 Q HA -0.284 4.056 4.340 -0.000 0.000 0.359 513 Q C -0.792 175.235 176.000 0.044 0.000 1.381 513 Q CA 0.738 56.564 55.803 0.037 0.000 1.060 513 Q CB -0.979 27.772 28.738 0.022 0.000 1.253 513 Q HN 0.933 nan 8.270 nan 0.000 0.363 514 A N -0.288 122.578 122.820 0.077 0.000 1.766 514 A HA 0.105 4.425 4.320 -0.000 0.000 0.172 514 A C 0.946 178.641 177.584 0.185 0.000 1.489 514 A CA 0.650 52.739 52.037 0.086 0.000 1.662 514 A CB -0.003 19.020 19.000 0.038 0.000 1.591 514 A HN 0.782 nan 8.150 nan 0.000 0.804 515 T N -1.330 113.291 114.554 0.112 0.000 3.058 515 T HA 0.128 4.478 4.350 -0.000 0.000 0.278 515 T C 0.681 175.287 174.700 -0.157 0.000 0.974 515 T CA 0.903 63.019 62.100 0.027 0.000 0.893 515 T CB 0.056 68.888 68.868 -0.059 0.000 1.138 515 T HN 0.460 nan 8.240 nan 0.000 0.529 516 D N 1.708 122.077 120.400 -0.051 0.000 2.390 516 D HA -0.130 4.510 4.640 -0.000 0.000 0.235 516 D C 1.366 177.682 176.300 0.026 0.000 1.040 516 D CA 0.143 54.085 54.000 -0.095 0.000 0.923 516 D CB -0.517 40.230 40.800 -0.087 0.000 0.886 516 D HN 0.723 nan 8.370 nan 0.000 0.532 517 Y N -0.133 120.184 120.300 0.028 0.000 2.475 517 Y HA 0.174 4.724 4.550 -0.000 0.000 0.289 517 Y C 1.377 177.317 175.900 0.067 0.000 1.121 517 Y CA 0.412 58.538 58.100 0.043 0.000 1.257 517 Y CB -0.726 37.750 38.460 0.026 0.000 1.026 517 Y HN -0.116 nan 8.280 nan 0.000 0.555 518 N N 0.282 118.637 118.700 -0.575 0.000 2.327 518 N HA -0.055 4.685 4.740 -0.000 0.000 0.231 518 N C -0.520 174.948 175.510 -0.070 0.000 1.130 518 N CA -0.051 52.801 53.050 -0.330 0.000 0.845 518 N CB -0.710 37.468 38.487 -0.514 0.000 1.073 518 N HN 0.536 nan 8.380 nan 0.000 0.496 519 H N 0.356 119.348 119.070 -0.130 0.000 2.553 519 H HA 0.122 4.678 4.556 -0.000 0.000 0.222 519 H C -0.739 174.569 175.328 -0.035 0.000 1.779 519 H CA -0.746 55.255 56.048 -0.078 0.000 1.241 519 H CB -0.024 29.702 29.762 -0.060 0.000 1.647 519 H HN 0.267 nan 8.280 nan 0.000 0.523 520 D N 1.584 121.975 120.400 -0.016 0.000 2.400 520 D HA -0.102 4.538 4.640 -0.000 0.000 0.238 520 D C 1.334 177.579 176.300 -0.093 0.000 1.157 520 D CA -0.161 53.826 54.000 -0.021 0.000 0.889 520 D CB 1.639 42.454 40.800 0.026 0.000 1.199 520 D HN 0.397 nan 8.370 nan 0.000 0.436 521 L N 2.093 123.284 121.223 -0.054 0.000 2.102 521 L HA 0.058 4.398 4.340 -0.000 0.000 0.202 521 L C 0.273 177.115 176.870 -0.047 0.000 1.076 521 L CA 1.145 55.944 54.840 -0.069 0.000 0.761 521 L CB 0.313 42.351 42.059 -0.035 0.000 0.921 521 L HN 0.168 nan 8.230 nan 0.000 0.444 522 V N 2.507 122.416 119.914 -0.009 0.000 2.383 522 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 522 V C 0.272 176.400 176.094 0.056 0.000 1.036 522 V CA -0.442 61.868 62.300 0.016 0.000 0.889 522 V CB 0.947 32.785 31.823 0.024 0.000 0.985 522 V HN 0.316 nan 8.190 nan 0.000 0.459 523 R N 0.000 120.547 120.500 0.078 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.223 56.100 0.206 0.000 0.921 523 R CB 0.000 30.344 30.300 0.073 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535