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_B 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 0.000 174.622 174.600 0.037 0.000 1.055 2 S CA 0.000 58.227 58.200 0.045 0.000 1.107 2 S CB 0.000 63.207 63.200 0.012 0.000 0.593 3 Q N 0.890 120.701 119.800 0.019 0.000 2.375 3 Q HA 0.544 4.884 4.340 -0.000 0.000 0.271 3 Q C -1.478 174.520 176.000 -0.004 0.000 1.074 3 Q CA -0.695 55.109 55.803 0.002 0.000 0.808 3 Q CB 2.060 30.798 28.738 -0.001 0.000 1.327 3 Q HN 0.493 nan 8.270 nan 0.000 0.441 4 Q N 1.274 121.067 119.800 -0.011 0.000 2.466 4 Q HA 0.170 4.510 4.340 -0.000 0.000 0.242 4 Q C 0.848 176.841 176.000 -0.012 0.000 1.046 4 Q CA -0.119 55.678 55.803 -0.010 0.000 0.841 4 Q CB 1.429 30.160 28.738 -0.013 0.000 1.193 4 Q HN 0.566 nan 8.270 nan 0.000 0.508 5 V N 2.778 122.687 119.914 -0.008 0.000 2.481 5 V HA -0.370 3.750 4.120 -0.000 0.000 0.263 5 V C 1.275 177.363 176.094 -0.009 0.000 1.108 5 V CA 2.818 65.113 62.300 -0.008 0.000 1.113 5 V CB -0.043 31.777 31.823 -0.005 0.000 0.684 5 V HN 0.908 nan 8.190 nan 0.000 0.467 6 D N -1.278 119.116 120.400 -0.010 0.000 2.162 6 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 6 D C 1.340 177.632 176.300 -0.014 0.000 0.967 6 D CA 0.635 54.629 54.000 -0.010 0.000 0.840 6 D CB -0.107 40.688 40.800 -0.008 0.000 0.972 6 D HN 0.359 nan 8.370 nan 0.000 0.482 7 K N 1.018 121.408 120.400 -0.018 0.000 2.842 7 K HA 0.314 4.634 4.320 -0.000 0.000 0.176 7 K C -0.642 175.938 176.600 -0.033 0.000 1.080 7 K CA -0.592 55.681 56.287 -0.024 0.000 0.954 7 K CB 0.320 32.806 32.500 -0.025 0.000 1.203 7 K HN 0.121 nan 8.250 nan 0.000 0.611 8 I N 3.091 123.642 120.570 -0.033 0.000 2.683 8 I HA -0.044 4.126 4.170 -0.000 0.000 0.286 8 I C 0.614 176.693 176.117 -0.063 0.000 1.175 8 I CA 0.552 61.827 61.300 -0.042 0.000 1.429 8 I CB 0.343 38.323 38.000 -0.034 0.000 1.371 8 I HN 0.028 nan 8.210 nan 0.000 0.569 9 K N 6.014 126.362 120.400 -0.087 0.000 2.159 9 K HA 0.730 5.050 4.320 -0.000 0.000 0.266 9 K C -0.293 176.211 176.600 -0.160 0.000 0.975 9 K CA -0.670 55.538 56.287 -0.132 0.000 0.865 9 K CB 1.904 34.306 32.500 -0.164 0.000 1.087 9 K HN 0.673 nan 8.250 nan 0.000 0.446 10 A N 1.170 123.896 122.820 -0.157 0.000 2.298 10 A HA 0.236 4.556 4.320 -0.000 0.000 0.302 10 A C 1.538 178.963 177.584 -0.265 0.000 1.177 10 A CA -0.130 51.811 52.037 -0.160 0.000 0.912 10 A CB 0.785 19.739 19.000 -0.075 0.000 1.331 10 A HN 0.774 nan 8.150 nan 0.000 0.504 11 S N -1.766 113.785 115.700 -0.250 0.000 2.461 11 S HA -0.259 4.211 4.470 -0.000 0.000 0.266 11 S C 0.546 174.964 174.600 -0.303 0.000 1.138 11 S CA 2.472 60.468 58.200 -0.341 0.000 1.146 11 S CB -0.569 62.629 63.200 -0.003 0.000 1.042 11 S HN 1.035 nan 8.310 nan 0.000 0.448 12 Y N 2.040 122.223 120.300 -0.195 0.000 2.409 12 Y HA 0.595 5.145 4.550 -0.000 0.000 0.343 12 Y C -2.475 173.356 175.900 -0.114 0.000 0.973 12 Y CA -2.245 55.786 58.100 -0.115 0.000 1.064 12 Y CB 2.097 40.536 38.460 -0.034 0.000 1.207 12 Y HN -0.017 nan 8.280 nan 0.000 0.452 13 P HA 0.048 nan 4.420 nan 0.000 0.254 13 P C 0.817 177.884 177.300 -0.388 0.000 1.620 13 P CA 0.074 62.643 63.100 -0.884 0.000 1.050 13 P CB 0.383 31.492 31.700 -0.986 0.000 1.539 14 L N 0.500 121.476 121.223 -0.412 0.000 1.971 14 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 14 L C 1.576 178.260 176.870 -0.310 0.000 1.072 14 L CA 2.174 56.759 54.840 -0.425 0.000 0.758 14 L CB -1.341 40.275 42.059 -0.739 0.000 0.889 14 L HN -0.144 nan 8.230 nan 0.000 0.433 15 F N -0.267 119.556 119.950 -0.211 0.000 2.772 15 F HA 0.014 4.541 4.527 -0.000 0.000 0.301 15 F C 1.651 177.479 175.800 0.048 0.000 1.250 15 F CA 0.327 58.233 58.000 -0.156 0.000 1.441 15 F CB -0.986 37.913 39.000 -0.169 0.000 1.112 15 F HN 0.110 nan 8.300 nan 0.000 0.563 16 L N -1.320 119.998 121.223 0.159 0.000 2.616 16 L HA 0.151 4.491 4.340 -0.000 0.000 0.229 16 L C 0.146 177.093 176.870 0.127 0.000 1.110 16 L CA -0.130 54.787 54.840 0.129 0.000 0.884 16 L CB -0.190 41.898 42.059 0.049 0.000 1.115 16 L HN -0.178 nan 8.230 nan 0.000 0.481 17 D N 0.492 120.998 120.400 0.177 0.000 2.455 17 D HA -0.034 4.606 4.640 -0.000 0.000 0.241 17 D C 1.035 177.422 176.300 0.145 0.000 1.138 17 D CA 0.275 54.370 54.000 0.157 0.000 0.877 17 D CB 1.187 42.123 40.800 0.227 0.000 1.187 17 D HN -0.086 nan 8.370 nan 0.000 0.451 18 Q N 2.040 121.885 119.800 0.074 0.000 2.118 18 Q HA -0.234 4.106 4.340 -0.000 0.000 0.211 18 Q C 1.114 177.134 176.000 0.033 0.000 0.998 18 Q CA 2.112 57.945 55.803 0.050 0.000 0.872 18 Q CB -0.028 28.724 28.738 0.023 0.000 0.925 18 Q HN 0.619 nan 8.270 nan 0.000 0.414 19 D N -1.396 118.993 120.400 -0.018 0.000 2.117 19 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 19 D C 1.665 177.904 176.300 -0.102 0.000 0.987 19 D CA 1.338 55.276 54.000 -0.102 0.000 0.829 19 D CB -0.949 39.724 40.800 -0.211 0.000 0.961 19 D HN 0.370 nan 8.370 nan 0.000 0.460 20 Y N 1.489 121.842 120.300 0.088 0.000 2.293 20 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 20 Y C 2.438 178.384 175.900 0.076 0.000 1.137 20 Y CA 0.739 58.909 58.100 0.118 0.000 1.202 20 Y CB -0.101 38.510 38.460 0.252 0.000 0.990 20 Y HN -0.122 nan 8.280 nan 0.000 0.537 21 K N 0.130 120.651 120.400 0.203 0.000 1.985 21 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 21 K C 1.426 178.073 176.600 0.080 0.000 1.047 21 K CA 1.657 58.021 56.287 0.129 0.000 0.932 21 K CB -0.705 31.855 32.500 0.100 0.000 0.716 21 K HN 0.344 nan 8.250 nan 0.000 0.439 22 D N 0.661 121.093 120.400 0.053 0.000 2.310 22 D HA -0.125 4.515 4.640 -0.000 0.000 0.212 22 D C 1.770 178.088 176.300 0.030 0.000 0.965 22 D CA 0.504 54.522 54.000 0.030 0.000 0.879 22 D CB 0.022 40.829 40.800 0.012 0.000 0.921 22 D HN 0.113 nan 8.370 nan 0.000 0.510 23 M N 0.397 120.021 119.600 0.041 0.000 2.115 23 M HA -0.056 4.424 4.480 -0.000 0.000 0.261 23 M C 2.068 178.405 176.300 0.062 0.000 1.079 23 M CA 1.010 56.337 55.300 0.045 0.000 1.143 23 M CB -0.410 32.223 32.600 0.055 0.000 1.332 23 M HN -0.036 nan 8.290 nan 0.000 0.421 24 L N 0.224 121.489 121.223 0.070 0.000 2.131 24 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 24 L C 2.675 179.571 176.870 0.043 0.000 1.092 24 L CA 0.980 55.849 54.840 0.047 0.000 0.759 24 L CB -1.128 40.947 42.059 0.027 0.000 0.903 24 L HN 0.345 nan 8.230 nan 0.000 0.435 25 A N 0.436 123.280 122.820 0.040 0.000 1.883 25 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 25 A C 2.382 179.975 177.584 0.014 0.000 1.186 25 A CA 1.705 53.758 52.037 0.025 0.000 0.624 25 A CB -0.328 18.685 19.000 0.022 0.000 0.822 25 A HN 0.315 nan 8.150 nan 0.000 0.444 26 K N -0.429 119.984 120.400 0.023 0.000 1.985 26 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 26 K C 2.243 178.858 176.600 0.025 0.000 1.047 26 K CA 1.599 57.892 56.287 0.010 0.000 0.932 26 K CB -0.284 32.240 32.500 0.039 0.000 0.716 26 K HN 0.514 nan 8.250 nan 0.000 0.439 27 K N 1.556 122.023 120.400 0.113 0.000 2.127 27 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 27 K C 2.247 178.929 176.600 0.137 0.000 1.047 27 K CA 1.579 57.994 56.287 0.214 0.000 0.927 27 K CB -0.062 32.531 32.500 0.155 0.000 0.716 27 K HN 0.064 nan 8.250 nan 0.000 0.450 28 R N 0.609 121.141 120.500 0.053 0.000 2.078 28 R HA -0.143 4.197 4.340 -0.000 0.000 0.224 28 R C 1.746 178.027 176.300 -0.031 0.000 1.149 28 R CA 2.159 58.274 56.100 0.024 0.000 0.916 28 R CB -0.425 29.884 30.300 0.016 0.000 0.821 28 R HN 0.246 nan 8.270 nan 0.000 0.434 29 D N -0.411 119.953 120.400 -0.060 0.000 2.133 29 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 29 D C 1.753 177.924 176.300 -0.215 0.000 1.001 29 D CA 1.754 55.690 54.000 -0.107 0.000 0.844 29 D CB -0.609 40.135 40.800 -0.093 0.000 0.944 29 D HN 0.612 nan 8.370 nan 0.000 0.447 30 G N -0.439 108.150 108.800 -0.352 0.000 2.404 30 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 30 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 30 G C 1.034 175.273 174.900 -1.103 0.000 1.174 30 G CA 0.543 45.136 45.100 -0.845 0.000 0.780 30 G HN 0.308 nan 8.290 nan 0.000 0.537 31 F N -0.629 119.315 119.950 -0.012 0.000 2.871 31 F HA 0.382 4.909 4.527 -0.000 0.000 0.344 31 F C 2.047 177.839 175.800 -0.013 0.000 1.078 31 F CA -0.399 57.593 58.000 -0.013 0.000 1.149 31 F CB 0.490 39.483 39.000 -0.011 0.000 1.087 31 F HN 0.050 nan 8.300 nan 0.000 0.557 32 E N 1.128 121.394 120.200 0.111 0.000 2.216 32 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 32 E C 0.039 176.657 176.600 0.029 0.000 0.988 32 E CA 0.622 57.066 56.400 0.072 0.000 0.834 32 E CB -0.139 29.596 29.700 0.059 0.000 0.772 32 E HN 0.350 nan 8.360 nan 0.000 0.479 33 E N 1.258 121.452 120.200 -0.010 0.000 2.228 33 E HA -0.236 4.114 4.350 -0.000 0.000 0.213 33 E C -0.197 176.370 176.600 -0.054 0.000 1.282 33 E CA 0.362 56.732 56.400 -0.050 0.000 0.707 33 E CB -1.233 28.437 29.700 -0.050 0.000 1.150 33 E HN 0.154 nan 8.360 nan 0.000 0.362 34 K N 0.913 121.304 120.400 -0.015 0.000 2.185 34 K HA 0.221 4.541 4.320 -0.000 0.000 0.271 34 K C -0.449 176.172 176.600 0.035 0.000 1.013 34 K CA -0.482 55.833 56.287 0.048 0.000 0.943 34 K CB 0.557 33.096 32.500 0.066 0.000 0.998 34 K HN 0.034 nan 8.250 nan 0.000 0.468 35 Y N 3.412 123.716 120.300 0.006 0.000 2.620 35 Y HA 0.041 4.591 4.550 -0.000 0.000 0.330 35 Y C -1.689 174.215 175.900 0.007 0.000 1.186 35 Y CA -1.270 56.833 58.100 0.006 0.000 1.467 35 Y CB 0.117 38.585 38.460 0.014 0.000 1.262 35 Y HN 0.581 nan 8.280 nan 0.000 0.550 36 P HA -0.149 nan 4.420 nan 0.000 0.263 36 P C 0.356 177.713 177.300 0.095 0.000 1.168 36 P CA 0.274 63.419 63.100 0.075 0.000 0.759 36 P CB 0.693 32.423 31.700 0.051 0.000 0.782 37 Q N 3.789 123.630 119.800 0.067 0.000 2.028 37 Q HA -0.314 4.026 4.340 -0.000 0.000 0.213 37 Q C 1.214 177.254 176.000 0.066 0.000 1.017 37 Q CA 2.466 58.306 55.803 0.063 0.000 0.875 37 Q CB -0.996 27.769 28.738 0.045 0.000 0.962 37 Q HN 0.477 nan 8.270 nan 0.000 0.413 38 D N -0.636 119.797 120.400 0.054 0.000 2.311 38 D HA -0.229 4.410 4.640 -0.000 0.000 0.204 38 D C 1.570 177.904 176.300 0.057 0.000 1.000 38 D CA 1.621 55.650 54.000 0.048 0.000 0.910 38 D CB -0.070 40.752 40.800 0.037 0.000 0.900 38 D HN 0.201 nan 8.370 nan 0.000 0.463 39 K N 0.842 121.287 120.400 0.076 0.000 2.078 39 K HA 0.070 4.390 4.320 -0.000 0.000 0.203 39 K C 2.166 178.805 176.600 0.064 0.000 1.043 39 K CA 0.279 56.611 56.287 0.075 0.000 0.960 39 K CB -0.373 32.209 32.500 0.136 0.000 0.761 39 K HN 0.041 nan 8.250 nan 0.000 0.448 40 I N 1.383 121.998 120.570 0.075 0.000 2.194 40 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 40 I C 1.211 177.405 176.117 0.128 0.000 1.093 40 I CA 1.877 63.223 61.300 0.077 0.000 1.355 40 I CB -0.389 37.654 38.000 0.072 0.000 1.046 40 I HN 0.247 nan 8.210 nan 0.000 0.413 41 D N 0.163 120.628 120.400 0.109 0.000 2.178 41 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 41 D C 2.029 178.416 176.300 0.144 0.000 0.980 41 D CA 0.950 55.024 54.000 0.124 0.000 0.842 41 D CB -0.073 40.767 40.800 0.068 0.000 0.948 41 D HN 0.407 nan 8.370 nan 0.000 0.472 42 E N 0.337 120.596 120.200 0.098 0.000 2.006 42 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 42 E C 2.055 178.722 176.600 0.112 0.000 0.993 42 E CA 0.876 57.320 56.400 0.073 0.000 0.808 42 E CB 0.057 29.773 29.700 0.026 0.000 0.764 42 E HN -0.003 nan 8.360 nan 0.000 0.449 43 V N 1.359 121.341 119.914 0.113 0.000 2.250 43 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 43 V C 2.198 178.429 176.094 0.228 0.000 1.060 43 V CA 2.257 64.673 62.300 0.194 0.000 1.030 43 V CB -0.838 31.063 31.823 0.131 0.000 0.643 43 V HN 0.369 nan 8.190 nan 0.000 0.445 44 F N 0.769 120.745 119.950 0.044 0.000 2.015 44 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 44 F C 2.688 178.409 175.800 -0.131 0.000 1.141 44 F CA 2.486 60.471 58.000 -0.025 0.000 1.192 44 F CB -0.749 38.276 39.000 0.041 0.000 0.957 44 F HN 0.051 nan 8.300 nan 0.000 0.491 45 Q N -0.290 119.467 119.800 -0.070 0.000 2.156 45 Q HA -0.315 4.025 4.340 -0.000 0.000 0.211 45 Q C 2.036 177.853 176.000 -0.306 0.000 0.995 45 Q CA 2.437 58.091 55.803 -0.249 0.000 0.877 45 Q CB -1.219 27.499 28.738 -0.034 0.000 0.920 45 Q HN 0.746 nan 8.270 nan 0.000 0.416 46 W N 1.269 122.376 121.300 -0.322 0.000 2.333 46 W HA -0.229 4.431 4.660 -0.000 0.000 0.316 46 W C 2.347 178.597 176.519 -0.448 0.000 1.215 46 W CA 3.158 60.339 57.345 -0.273 0.000 1.278 46 W CB -1.058 28.318 29.460 -0.140 0.000 1.154 46 W HN 0.290 nan 8.180 nan 0.000 0.486 47 T N -2.204 111.770 114.554 -0.967 0.000 2.897 47 T HA -0.238 4.112 4.350 -0.000 0.000 0.271 47 T C 1.549 175.530 174.700 -1.199 0.000 1.084 47 T CA 2.089 63.203 62.100 -1.644 0.000 1.123 47 T CB -1.315 66.716 68.868 -1.396 0.000 0.865 47 T HN 0.318 nan 8.240 nan 0.000 0.496 48 T N 0.343 114.176 114.554 -1.201 0.000 3.169 48 T HA 0.176 4.526 4.350 -0.000 0.000 0.250 48 T C 0.859 175.128 174.700 -0.719 0.000 1.111 48 T CA 0.171 61.421 62.100 -1.417 0.000 1.010 48 T CB -0.788 67.040 68.868 -1.734 0.000 0.984 48 T HN 0.688 nan 8.240 nan 0.000 0.537 49 T N -1.227 113.032 114.554 -0.491 0.000 2.881 49 T HA 0.490 4.840 4.350 -0.000 0.000 0.278 49 T C 1.002 175.618 174.700 -0.141 0.000 0.982 49 T CA -0.791 61.162 62.100 -0.245 0.000 0.989 49 T CB 1.841 70.626 68.868 -0.139 0.000 1.058 49 T HN 0.003 nan 8.240 nan 0.000 0.529 50 K N 0.209 120.564 120.400 -0.074 0.000 2.217 50 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 50 K C 2.055 178.641 176.600 -0.023 0.000 1.051 50 K CA 1.554 57.815 56.287 -0.042 0.000 0.952 50 K CB -0.428 32.056 32.500 -0.027 0.000 0.736 50 K HN 0.804 nan 8.250 nan 0.000 0.453 51 E N -0.994 119.207 120.200 0.002 0.000 2.047 51 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 51 E C 1.680 178.284 176.600 0.006 0.000 0.987 51 E CA 1.018 57.445 56.400 0.046 0.000 0.799 51 E CB -0.293 29.492 29.700 0.142 0.000 0.752 51 E HN 0.455 nan 8.360 nan 0.000 0.449 52 Y N 1.626 121.777 120.300 -0.248 0.000 2.224 52 Y HA -0.267 4.283 4.550 -0.000 0.000 0.289 52 Y C 2.484 178.261 175.900 -0.205 0.000 1.146 52 Y CA 2.296 60.133 58.100 -0.439 0.000 1.182 52 Y CB -0.203 37.765 38.460 -0.819 0.000 0.983 52 Y HN 0.138 nan 8.280 nan 0.000 0.524 53 Q N 0.291 120.083 119.800 -0.014 0.000 2.002 53 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 53 Q C 2.075 178.126 176.000 0.084 0.000 0.988 53 Q CA 2.418 58.257 55.803 0.061 0.000 0.843 53 Q CB -0.221 28.521 28.738 0.007 0.000 0.908 53 Q HN 0.610 nan 8.270 nan 0.000 0.420 54 E N 0.216 120.421 120.200 0.009 0.000 2.065 54 E HA -0.247 4.103 4.350 -0.000 0.000 0.201 54 E C 2.130 178.755 176.600 0.041 0.000 1.016 54 E CA 1.768 58.184 56.400 0.028 0.000 0.818 54 E CB -0.293 29.412 29.700 0.008 0.000 0.749 54 E HN 0.427 nan 8.360 nan 0.000 0.453 55 L N 0.991 122.184 121.223 -0.050 0.000 2.083 55 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 55 L C 2.473 179.263 176.870 -0.134 0.000 1.083 55 L CA 0.753 55.533 54.840 -0.100 0.000 0.752 55 L CB -0.622 41.327 42.059 -0.183 0.000 0.899 55 L HN 0.191 nan 8.230 nan 0.000 0.433 56 N N 0.802 119.389 118.700 -0.188 0.000 2.106 56 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 56 N C 1.709 177.244 175.510 0.041 0.000 1.029 56 N CA 1.557 54.525 53.050 -0.136 0.000 0.848 56 N CB -0.216 38.210 38.487 -0.102 0.000 1.007 56 N HN 0.136 nan 8.380 nan 0.000 0.423 57 F N 1.403 121.387 119.950 0.057 0.000 2.583 57 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 57 F C 2.061 177.911 175.800 0.083 0.000 1.131 57 F CA 0.682 58.765 58.000 0.139 0.000 1.467 57 F CB -0.064 38.989 39.000 0.088 0.000 1.097 57 F HN 0.193 nan 8.300 nan 0.000 0.586 58 Q N -0.523 119.369 119.800 0.153 0.000 2.403 58 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 58 Q C 0.629 176.658 176.000 0.049 0.000 0.932 58 Q CA -0.108 55.749 55.803 0.090 0.000 0.945 58 Q CB 0.177 28.949 28.738 0.058 0.000 1.045 58 Q HN 0.247 nan 8.270 nan 0.000 0.511 59 R N 0.686 121.210 120.500 0.040 0.000 2.623 59 R HA -0.042 4.298 4.340 -0.000 0.000 0.271 59 R C 0.590 176.907 176.300 0.028 0.000 1.043 59 R CA 0.714 56.821 56.100 0.012 0.000 1.083 59 R CB 0.499 30.790 30.300 -0.016 0.000 0.974 59 R HN 0.269 nan 8.270 nan 0.000 0.436 60 E N 1.037 121.244 120.200 0.011 0.000 2.905 60 E HA 0.062 4.412 4.350 -0.000 0.000 0.197 60 E C 1.205 177.811 176.600 0.010 0.000 1.016 60 E CA 0.419 56.829 56.400 0.016 0.000 1.307 60 E CB 0.228 29.936 29.700 0.013 0.000 1.255 60 E HN 0.654 nan 8.360 nan 0.000 0.527 61 A N 0.888 123.705 122.820 -0.004 0.000 2.030 61 A HA 0.145 4.465 4.320 -0.000 0.000 0.215 61 A C 0.885 178.455 177.584 -0.022 0.000 1.164 61 A CA 0.041 52.072 52.037 -0.011 0.000 0.697 61 A CB 0.079 19.070 19.000 -0.016 0.000 0.827 61 A HN 0.142 nan 8.150 nan 0.000 0.457 62 L N 0.714 121.915 121.223 -0.038 0.000 2.312 62 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 62 L C -0.813 176.016 176.870 -0.068 0.000 1.070 62 L CA 0.540 55.340 54.840 -0.067 0.000 0.805 62 L CB 1.656 43.654 42.059 -0.102 0.000 1.174 62 L HN 0.041 nan 8.230 nan 0.000 0.434 63 T N 4.404 118.913 114.554 -0.075 0.000 2.840 63 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 63 T C -0.919 173.708 174.700 -0.122 0.000 0.991 63 T CA -0.391 61.671 62.100 -0.063 0.000 0.964 63 T CB 1.384 70.261 68.868 0.014 0.000 0.954 63 T HN 0.310 nan 8.240 nan 0.000 0.438 64 V N 4.864 124.677 119.914 -0.170 0.000 2.357 64 V HA 0.399 4.519 4.120 -0.000 0.000 0.284 64 V C -0.238 175.791 176.094 -0.108 0.000 1.018 64 V CA -1.003 61.173 62.300 -0.205 0.000 0.841 64 V CB 0.924 32.504 31.823 -0.404 0.000 0.991 64 V HN 0.999 nan 8.190 nan 0.000 0.437 65 N N 3.867 122.499 118.700 -0.114 0.000 2.568 65 N HA -0.113 4.627 4.740 -0.000 0.000 0.277 65 N C -2.187 173.257 175.510 -0.110 0.000 1.200 65 N CA 0.390 53.376 53.050 -0.107 0.000 0.702 65 N CB -0.743 37.730 38.487 -0.024 0.000 0.889 65 N HN 0.486 nan 8.380 nan 0.000 0.546 66 P HA 0.248 nan 4.420 nan 0.000 0.280 66 P C -0.213 177.131 177.300 0.074 0.000 1.278 66 P CA -0.080 63.075 63.100 0.092 0.000 0.787 66 P CB 0.696 32.479 31.700 0.139 0.000 1.163 67 A N -0.723 122.290 122.820 0.321 0.000 2.709 67 A HA 0.325 4.645 4.320 -0.000 0.000 0.241 67 A C 0.159 177.907 177.584 0.273 0.000 0.879 67 A CA -0.323 51.871 52.037 0.263 0.000 1.120 67 A CB -0.152 18.998 19.000 0.249 0.000 1.226 67 A HN 0.585 nan 8.150 nan 0.000 0.468 68 K N -1.528 118.965 120.400 0.154 0.000 2.548 68 K HA 0.908 5.228 4.320 -0.000 0.000 0.282 68 K C -0.542 176.082 176.600 0.039 0.000 1.006 68 K CA -0.417 55.948 56.287 0.130 0.000 0.892 68 K CB 1.644 34.139 32.500 -0.008 0.000 1.499 68 K HN 0.571 nan 8.250 nan 0.000 0.433 69 A N 0.181 123.048 122.820 0.079 0.000 2.437 69 A HA 0.721 5.041 4.320 -0.000 0.000 0.288 69 A C -0.223 177.396 177.584 0.058 0.000 1.201 69 A CA -0.618 51.400 52.037 -0.033 0.000 0.795 69 A CB 0.580 19.479 19.000 -0.170 0.000 1.359 69 A HN 1.055 nan 8.150 nan 0.000 0.435 70 C N -1.405 117.914 119.300 0.031 0.000 2.470 70 C HA 0.478 4.938 4.460 -0.000 0.000 0.350 70 C C 1.564 176.588 174.990 0.057 0.000 1.341 70 C CA -0.255 58.784 59.018 0.034 0.000 2.440 70 C CB -0.158 27.597 27.740 0.025 0.000 2.295 70 C HN 0.954 nan 8.230 nan 0.000 0.645 71 Q N 1.745 121.545 119.800 0.000 0.000 2.014 71 Q HA -0.138 4.202 4.340 -0.000 0.000 0.207 71 Q C -0.182 175.823 176.000 0.008 0.000 0.993 71 Q CA 2.644 58.444 55.803 -0.004 0.000 0.850 71 Q CB -1.298 27.413 28.738 -0.045 0.000 0.916 71 Q HN 0.754 nan 8.270 nan 0.000 0.417 72 P HA -0.233 nan 4.420 nan 0.000 0.218 72 P C 1.496 178.595 177.300 -0.336 0.000 1.154 72 P CA 1.203 64.212 63.100 -0.150 0.000 0.872 72 P CB -0.157 31.506 31.700 -0.063 0.000 0.790 73 L N 0.192 121.247 121.223 -0.280 0.000 2.081 73 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 73 L C 2.475 179.513 176.870 0.280 0.000 1.080 73 L CA 2.567 57.323 54.840 -0.140 0.000 0.754 73 L CB -1.556 40.549 42.059 0.076 0.000 0.893 73 L HN -0.001 nan 8.230 nan 0.000 0.433 74 G N -1.847 107.130 108.800 0.295 0.000 2.453 74 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.215 74 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.215 74 G C 1.566 176.695 174.900 0.381 0.000 1.147 74 G CA 0.499 45.922 45.100 0.537 0.000 0.802 74 G HN 0.608 nan 8.290 nan 0.000 0.535 75 A N 0.308 123.219 122.820 0.152 0.000 1.930 75 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 75 A C 2.552 180.163 177.584 0.044 0.000 1.175 75 A CA 1.591 53.652 52.037 0.041 0.000 0.627 75 A CB -0.558 18.436 19.000 -0.009 0.000 0.815 75 A HN 0.204 nan 8.150 nan 0.000 0.443 76 V N -0.221 119.733 119.914 0.066 0.000 2.223 76 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 76 V C 2.448 178.642 176.094 0.167 0.000 1.045 76 V CA 2.067 64.431 62.300 0.107 0.000 1.000 76 V CB -0.832 31.062 31.823 0.119 0.000 0.635 76 V HN 0.604 nan 8.190 nan 0.000 0.445 77 L N 0.128 121.523 121.223 0.287 0.000 2.010 77 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 77 L C 2.525 179.490 176.870 0.158 0.000 1.077 77 L CA 2.672 57.607 54.840 0.159 0.000 0.773 77 L CB -1.148 41.080 42.059 0.282 0.000 0.892 77 L HN 0.560 nan 8.230 nan 0.000 0.436 78 C N -0.575 118.795 119.300 0.117 0.000 2.388 78 C HA -0.238 4.222 4.460 -0.000 0.000 0.277 78 C C 3.018 178.049 174.990 0.069 0.000 1.210 78 C CA 1.346 60.230 59.018 -0.224 0.000 1.743 78 C CB -1.558 25.593 27.740 -0.982 0.000 2.047 78 C HN 0.735 nan 8.230 nan 0.000 0.458 79 A N -0.038 122.834 122.820 0.087 0.000 1.986 79 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 79 A C 2.128 179.875 177.584 0.273 0.000 1.171 79 A CA 1.917 54.072 52.037 0.198 0.000 0.640 79 A CB -0.762 18.283 19.000 0.076 0.000 0.811 79 A HN 0.740 nan 8.150 nan 0.000 0.451 80 L N -0.768 120.536 121.223 0.136 0.000 2.353 80 L HA -0.100 4.240 4.340 -0.000 0.000 0.220 80 L C 2.327 179.199 176.870 0.002 0.000 1.133 80 L CA 0.634 55.516 54.840 0.069 0.000 0.798 80 L CB -0.362 41.684 42.059 -0.021 0.000 0.922 80 L HN 0.495 nan 8.230 nan 0.000 0.445 81 G N -0.830 107.928 108.800 -0.070 0.000 3.061 81 G HA2 0.040 4.000 3.960 -0.000 0.000 0.208 81 G HA3 0.040 4.000 3.960 -0.000 0.000 0.208 81 G C -0.036 174.466 174.900 -0.664 0.000 1.175 81 G CA -0.190 44.683 45.100 -0.378 0.000 0.812 81 G HN 0.099 nan 8.290 nan 0.000 0.523 82 F N -0.355 119.586 119.950 -0.016 0.000 2.507 82 F HA 0.356 4.883 4.527 -0.000 0.000 0.325 82 F C 0.400 176.193 175.800 -0.011 0.000 1.116 82 F CA -1.648 56.342 58.000 -0.016 0.000 0.930 82 F CB 1.578 40.569 39.000 -0.015 0.000 1.146 82 F HN 0.005 nan 8.300 nan 0.000 0.447 83 E N 3.739 124.004 120.200 0.108 0.000 2.829 83 E HA -0.127 4.223 4.350 -0.000 0.000 0.264 83 E C 0.046 176.651 176.600 0.009 0.000 0.922 83 E CA 0.346 56.767 56.400 0.035 0.000 0.960 83 E CB 0.260 29.957 29.700 -0.005 0.000 0.918 83 E HN 0.625 nan 8.360 nan 0.000 0.497 84 K N 2.200 122.556 120.400 -0.074 0.000 3.100 84 K HA -0.212 4.108 4.320 -0.000 0.000 0.261 84 K C -0.758 175.748 176.600 -0.157 0.000 0.920 84 K CA 0.971 57.011 56.287 -0.411 0.000 0.683 84 K CB -1.534 30.670 32.500 -0.493 0.000 1.349 84 K HN 0.465 nan 8.250 nan 0.000 0.473 85 T N 0.961 115.604 114.554 0.148 0.000 2.829 85 T HA 0.456 4.806 4.350 -0.000 0.000 0.282 85 T C -0.195 174.701 174.700 0.327 0.000 0.990 85 T CA -0.706 61.508 62.100 0.189 0.000 1.028 85 T CB 1.276 70.261 68.868 0.194 0.000 0.951 85 T HN 0.164 nan 8.240 nan 0.000 0.460 86 M N 5.036 124.810 119.600 0.291 0.000 2.114 86 M HA 0.461 4.941 4.480 -0.000 0.000 0.332 86 M C -2.821 173.610 176.300 0.219 0.000 1.014 86 M CA -2.660 52.816 55.300 0.293 0.000 0.956 86 M CB 1.245 34.056 32.600 0.352 0.000 1.551 86 M HN 0.119 nan 8.290 nan 0.000 0.427 87 P HA 0.097 nan 4.420 nan 0.000 0.271 87 P C -2.014 175.417 177.300 0.218 0.000 1.226 87 P CA 0.287 63.484 63.100 0.163 0.000 0.765 87 P CB 0.059 31.838 31.700 0.133 0.000 0.835 88 Y N 4.395 124.743 120.300 0.079 0.000 2.326 88 Y HA 0.426 4.976 4.550 -0.000 0.000 0.331 88 Y C -1.080 174.877 175.900 0.095 0.000 0.962 88 Y CA -0.972 57.187 58.100 0.098 0.000 1.167 88 Y CB 1.211 39.726 38.460 0.092 0.000 1.148 88 Y HN 0.038 nan 8.280 nan 0.000 0.463 89 V N 6.441 126.419 119.914 0.106 0.000 2.311 89 V HA 0.124 4.244 4.120 -0.000 0.000 0.275 89 V C -0.387 175.779 176.094 0.120 0.000 1.022 89 V CA -0.776 61.619 62.300 0.158 0.000 0.830 89 V CB 0.290 32.227 31.823 0.190 0.000 1.012 89 V HN 0.757 nan 8.190 nan 0.000 0.452 90 H N 4.166 123.329 119.070 0.155 0.000 3.157 90 H HA 0.579 5.135 4.556 -0.000 0.000 0.260 90 H C 0.409 175.769 175.328 0.052 0.000 1.232 90 H CA 1.018 57.150 56.048 0.139 0.000 1.488 90 H CB 0.006 29.863 29.762 0.160 0.000 1.548 90 H HN 0.913 nan 8.280 nan 0.000 0.487 91 G N 1.963 110.635 108.800 -0.213 0.000 2.356 91 G HA2 0.155 4.115 3.960 -0.000 0.000 0.281 91 G HA3 0.155 4.115 3.960 -0.000 0.000 0.281 91 G C -0.947 173.887 174.900 -0.111 0.000 1.246 91 G CA -0.432 44.545 45.100 -0.205 0.000 0.889 91 G HN 0.688 nan 8.290 nan 0.000 0.486 92 S N -0.036 115.621 115.700 -0.071 0.000 2.562 92 S HA 0.261 4.731 4.470 -0.000 0.000 0.281 92 S C 1.456 176.034 174.600 -0.037 0.000 1.333 92 S CA 0.721 58.891 58.200 -0.049 0.000 1.052 92 S CB 1.474 64.647 63.200 -0.044 0.000 0.884 92 S HN 1.049 nan 8.310 nan 0.000 0.506 93 Q N 2.616 122.399 119.800 -0.028 0.000 2.172 93 Q HA 0.001 4.341 4.340 -0.000 0.000 0.200 93 Q C 1.953 177.941 176.000 -0.021 0.000 0.964 93 Q CA 1.272 57.063 55.803 -0.020 0.000 0.855 93 Q CB -1.119 27.611 28.738 -0.013 0.000 0.918 93 Q HN 0.858 nan 8.270 nan 0.000 0.444 94 G N 1.290 110.078 108.800 -0.019 0.000 2.503 94 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.221 94 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.221 94 G C 1.403 176.297 174.900 -0.011 0.000 1.131 94 G CA 1.140 46.244 45.100 0.008 0.000 0.756 94 G HN 0.510 nan 8.290 nan 0.000 0.572 95 C N -0.065 119.155 119.300 -0.132 0.000 2.413 95 C HA -0.049 4.411 4.460 -0.000 0.000 0.278 95 C C 3.000 177.587 174.990 -0.671 0.000 1.224 95 C CA 0.766 59.527 59.018 -0.428 0.000 1.732 95 C CB -1.148 26.403 27.740 -0.315 0.000 2.050 95 C HN 0.314 nan 8.230 nan 0.000 0.463 96 V N 1.857 121.664 119.914 -0.179 0.000 2.453 96 V HA -0.278 3.842 4.120 -0.000 0.000 0.252 96 V C 2.677 178.804 176.094 0.056 0.000 1.068 96 V CA 2.176 64.568 62.300 0.152 0.000 1.070 96 V CB -1.465 30.462 31.823 0.174 0.000 0.664 96 V HN 0.643 nan 8.190 nan 0.000 0.461 97 A N -0.716 122.080 122.820 -0.041 0.000 1.851 97 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 97 A C 2.069 179.587 177.584 -0.110 0.000 1.195 97 A CA 2.121 54.115 52.037 -0.072 0.000 0.622 97 A CB -0.848 18.079 19.000 -0.122 0.000 0.831 97 A HN 0.549 nan 8.150 nan 0.000 0.444 98 Y N -1.243 118.932 120.300 -0.208 0.000 2.181 98 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 98 Y C 2.249 178.139 175.900 -0.017 0.000 1.146 98 Y CA 1.512 59.513 58.100 -0.165 0.000 1.164 98 Y CB -0.531 37.751 38.460 -0.296 0.000 0.982 98 Y HN 0.315 nan 8.280 nan 0.000 0.515 99 F N 0.306 120.362 119.950 0.177 0.000 2.025 99 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 99 F C 2.364 178.298 175.800 0.223 0.000 1.132 99 F CA 1.510 59.596 58.000 0.143 0.000 1.191 99 F CB -1.311 37.794 39.000 0.174 0.000 0.963 99 F HN -0.065 nan 8.300 nan 0.000 0.481 100 R N -0.176 120.589 120.500 0.443 0.000 2.082 100 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 100 R C 2.437 178.914 176.300 0.295 0.000 1.136 100 R CA 1.722 58.041 56.100 0.364 0.000 0.935 100 R CB -1.240 29.192 30.300 0.220 0.000 0.842 100 R HN 0.251 nan 8.270 nan 0.000 0.430 101 S N -0.030 115.769 115.700 0.165 0.000 2.392 101 S HA -0.251 4.219 4.470 -0.000 0.000 0.232 101 S C 1.756 176.440 174.600 0.140 0.000 1.041 101 S CA 1.418 59.663 58.200 0.075 0.000 1.026 101 S CB -0.291 62.869 63.200 -0.066 0.000 0.845 101 S HN 0.393 nan 8.310 nan 0.000 0.465 102 Y N 0.736 121.081 120.300 0.075 0.000 2.114 102 Y HA 0.032 4.581 4.550 -0.000 0.000 0.284 102 Y C 1.895 177.930 175.900 0.225 0.000 1.119 102 Y CA 1.599 59.743 58.100 0.073 0.000 1.108 102 Y CB -0.974 37.510 38.460 0.040 0.000 0.995 102 Y HN 0.296 nan 8.280 nan 0.000 0.491 103 F N 1.049 121.285 119.950 0.477 0.000 2.154 103 F HA -0.292 4.235 4.527 -0.000 0.000 0.301 103 F C 2.217 178.213 175.800 0.326 0.000 1.087 103 F CA 1.554 59.826 58.000 0.454 0.000 1.274 103 F CB -1.134 38.211 39.000 0.576 0.000 1.009 103 F HN 0.191 nan 8.300 nan 0.000 0.485 104 N N 0.428 119.376 118.700 0.415 0.000 2.069 104 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 104 N C 1.944 177.520 175.510 0.111 0.000 1.031 104 N CA 1.353 54.539 53.050 0.228 0.000 0.852 104 N CB -0.528 38.032 38.487 0.121 0.000 1.018 104 N HN 0.339 nan 8.380 nan 0.000 0.423 105 R N -0.304 120.218 120.500 0.038 0.000 2.120 105 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 105 R C 1.985 178.411 176.300 0.209 0.000 1.123 105 R CA 1.103 57.165 56.100 -0.064 0.000 0.975 105 R CB -0.288 29.638 30.300 -0.624 0.000 0.866 105 R HN 0.433 nan 8.270 nan 0.000 0.446 106 H N -0.765 118.388 119.070 0.138 0.000 2.431 106 H HA 0.026 4.582 4.556 -0.000 0.000 0.295 106 H C 1.086 176.147 175.328 -0.445 0.000 1.038 106 H CA 1.207 57.164 56.048 -0.152 0.000 1.360 106 H CB 0.188 29.764 29.762 -0.309 0.000 1.433 106 H HN 0.031 nan 8.280 nan 0.000 0.536 107 F N 0.246 120.064 119.950 -0.220 0.000 2.582 107 F HA 0.304 4.831 4.527 -0.000 0.000 0.290 107 F C 0.631 176.147 175.800 -0.474 0.000 1.115 107 F CA 0.303 57.959 58.000 -0.573 0.000 1.445 107 F CB 0.131 39.050 39.000 -0.135 0.000 1.126 107 F HN -0.079 nan 8.300 nan 0.000 0.574 108 R N 1.644 122.106 120.500 -0.064 0.000 3.146 108 R HA -0.158 4.182 4.340 -0.000 0.000 0.250 108 R C -1.133 175.192 176.300 0.042 0.000 0.912 108 R CA 0.398 56.463 56.100 -0.059 0.000 0.633 108 R CB -1.749 28.450 30.300 -0.168 0.000 1.180 108 R HN 0.182 nan 8.270 nan 0.000 0.464 109 E N -1.001 119.254 120.200 0.092 0.000 2.416 109 E HA 0.329 4.679 4.350 -0.000 0.000 0.280 109 E C -2.778 173.875 176.600 0.089 0.000 1.055 109 E CA -2.075 54.382 56.400 0.095 0.000 0.825 109 E CB 1.582 31.345 29.700 0.106 0.000 1.312 109 E HN -0.112 nan 8.360 nan 0.000 0.452 110 P HA 0.260 nan 4.420 nan 0.000 0.287 110 P C -0.641 176.720 177.300 0.102 0.000 1.294 110 P CA -0.415 62.714 63.100 0.048 0.000 0.776 110 P CB 0.720 32.404 31.700 -0.027 0.000 0.889 111 V N 4.127 124.116 119.914 0.125 0.000 2.364 111 V HA 0.184 4.304 4.120 -0.000 0.000 0.272 111 V C 0.141 176.302 176.094 0.112 0.000 1.036 111 V CA -0.022 62.371 62.300 0.155 0.000 0.880 111 V CB 1.019 33.022 31.823 0.300 0.000 0.991 111 V HN 0.501 nan 8.190 nan 0.000 0.460 112 S N 4.367 120.103 115.700 0.060 0.000 2.438 112 S HA 0.595 5.065 4.470 -0.000 0.000 0.293 112 S C -0.425 174.187 174.600 0.021 0.000 1.141 112 S CA -0.510 57.684 58.200 -0.010 0.000 1.080 112 S CB 1.077 64.202 63.200 -0.125 0.000 0.978 112 S HN 0.893 nan 8.310 nan 0.000 0.479 113 C N 3.943 123.258 119.300 0.025 0.000 3.181 113 C HA 0.736 5.196 4.460 -0.000 0.000 0.362 113 C C -0.575 174.443 174.990 0.046 0.000 1.125 113 C CA -0.455 58.611 59.018 0.079 0.000 1.265 113 C CB 0.241 28.084 27.740 0.172 0.000 1.632 113 C HN 0.904 nan 8.230 nan 0.000 0.525 114 V N 2.480 122.420 119.914 0.044 0.000 3.158 114 V HA 1.004 5.124 4.120 -0.000 0.000 0.315 114 V C -0.375 175.653 176.094 -0.110 0.000 1.148 114 V CA -0.224 62.069 62.300 -0.011 0.000 1.042 114 V CB 1.749 33.582 31.823 0.017 0.000 1.101 114 V HN 1.288 nan 8.190 nan 0.000 0.448 115 S N 0.020 115.619 115.700 -0.168 0.000 2.536 115 S HA 0.480 4.950 4.470 -0.000 0.000 0.271 115 S C -0.853 173.599 174.600 -0.248 0.000 1.134 115 S CA -0.013 58.046 58.200 -0.235 0.000 0.897 115 S CB 1.680 64.837 63.200 -0.071 0.000 1.094 115 S HN 1.181 nan 8.310 nan 0.000 0.473 116 D N 2.114 122.343 120.400 -0.285 0.000 2.676 116 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 116 D C 0.162 176.458 176.300 -0.008 0.000 1.213 116 D CA -0.285 53.669 54.000 -0.076 0.000 0.835 116 D CB -0.664 40.221 40.800 0.142 0.000 1.009 116 D HN 0.354 nan 8.370 nan 0.000 0.479 117 S N 0.306 115.987 115.700 -0.032 0.000 3.349 117 S HA -0.267 4.203 4.470 -0.000 0.000 0.214 117 S C 0.480 175.078 174.600 -0.004 0.000 0.578 117 S CA 0.300 58.491 58.200 -0.015 0.000 1.380 117 S CB -1.272 61.928 63.200 -0.000 0.000 0.888 117 S HN 0.531 nan 8.310 nan 0.000 0.349 118 M N 1.867 121.452 119.600 -0.025 0.000 2.243 118 M HA 0.207 4.687 4.480 -0.000 0.000 0.341 118 M C 1.202 177.495 176.300 -0.013 0.000 1.130 118 M CA 0.153 55.442 55.300 -0.018 0.000 1.162 118 M CB 0.697 33.251 32.600 -0.076 0.000 1.497 118 M HN 0.640 nan 8.290 nan 0.000 0.456 119 T N -2.538 112.018 114.554 0.004 0.000 2.598 119 T HA 0.287 4.637 4.350 -0.000 0.000 0.254 119 T C 0.760 175.460 174.700 0.001 0.000 0.889 119 T CA -0.816 61.285 62.100 0.002 0.000 1.091 119 T CB 0.946 69.821 68.868 0.011 0.000 1.437 119 T HN 0.733 nan 8.240 nan 0.000 0.542 120 E N 0.845 121.046 120.200 0.001 0.000 2.047 120 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 120 E C 1.394 177.993 176.600 -0.001 0.000 0.987 120 E CA 1.552 57.949 56.400 -0.006 0.000 0.799 120 E CB -0.337 29.360 29.700 -0.005 0.000 0.752 120 E HN 0.744 nan 8.360 nan 0.000 0.449 121 D N -0.015 120.397 120.400 0.019 0.000 2.411 121 D HA -0.146 4.494 4.640 -0.000 0.000 0.226 121 D C 0.872 177.212 176.300 0.066 0.000 0.988 121 D CA 1.001 55.028 54.000 0.044 0.000 0.938 121 D CB 0.075 40.912 40.800 0.062 0.000 0.883 121 D HN 0.210 nan 8.370 nan 0.000 0.525 122 A N -0.692 122.152 122.820 0.040 0.000 2.508 122 A HA 0.637 4.957 4.320 -0.000 0.000 0.250 122 A C 1.916 179.507 177.584 0.012 0.000 1.208 122 A CA 0.264 52.340 52.037 0.065 0.000 0.960 122 A CB 0.272 19.322 19.000 0.084 0.000 1.099 122 A HN 0.244 nan 8.150 nan 0.000 0.542 123 A N 0.130 122.929 122.820 -0.036 0.000 2.239 123 A HA 0.256 4.576 4.320 -0.000 0.000 0.209 123 A C 1.764 179.274 177.584 -0.123 0.000 1.171 123 A CA 1.673 53.676 52.037 -0.056 0.000 0.768 123 A CB -0.577 18.392 19.000 -0.053 0.000 0.790 123 A HN 1.042 nan 8.150 nan 0.000 0.478 124 V N -5.926 113.843 119.914 -0.241 0.000 2.743 124 V HA 0.314 4.434 4.120 -0.000 0.000 0.237 124 V C 1.116 176.880 176.094 -0.550 0.000 1.113 124 V CA 0.284 62.276 62.300 -0.513 0.000 1.141 124 V CB -0.828 30.442 31.823 -0.922 0.000 0.873 124 V HN 0.235 nan 8.190 nan 0.000 0.486 125 F N 2.690 122.676 119.950 0.060 0.000 2.925 125 F HA 0.801 5.328 4.527 -0.000 0.000 0.302 125 F C 1.551 177.422 175.800 0.118 0.000 1.189 125 F CA -0.526 57.517 58.000 0.072 0.000 1.346 125 F CB -0.292 38.736 39.000 0.046 0.000 0.954 125 F HN 0.450 nan 8.300 nan 0.000 0.506 126 G N 1.006 109.941 108.800 0.225 0.000 2.581 126 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.289 126 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.289 126 G C 0.854 175.945 174.900 0.319 0.000 1.303 126 G CA -0.093 45.180 45.100 0.289 0.000 0.931 126 G HN 0.862 nan 8.290 nan 0.000 0.555 127 G N -1.886 107.209 108.800 0.492 0.000 4.637 127 G HA2 0.455 4.415 3.960 -0.000 0.000 0.294 127 G HA3 0.455 4.415 3.960 -0.000 0.000 0.294 127 G C 0.733 175.947 174.900 0.523 0.000 1.215 127 G CA 1.146 46.507 45.100 0.434 0.000 0.943 127 G HN 0.730 nan 8.290 nan 0.000 0.572 128 Q N 0.012 119.978 119.800 0.276 0.000 2.443 128 Q HA -0.090 4.250 4.340 -0.000 0.000 0.213 128 Q C 2.110 178.046 176.000 -0.107 0.000 0.982 128 Q CA 1.520 57.155 55.803 -0.280 0.000 0.894 128 Q CB 0.147 28.487 28.738 -0.664 0.000 0.947 128 Q HN 0.563 nan 8.270 nan 0.000 0.480 129 Q N -0.890 118.911 119.800 0.002 0.000 2.387 129 Q HA 0.104 4.444 4.340 -0.000 0.000 0.208 129 Q C 1.153 177.132 176.000 -0.035 0.000 0.935 129 Q CA 1.218 56.982 55.803 -0.066 0.000 0.891 129 Q CB -0.035 28.686 28.738 -0.028 0.000 1.007 129 Q HN 0.405 nan 8.270 nan 0.000 0.548 130 N N -0.149 118.604 118.700 0.089 0.000 2.334 130 N HA -0.156 4.584 4.740 -0.000 0.000 0.187 130 N C 1.206 176.818 175.510 0.170 0.000 1.016 130 N CA 1.455 54.582 53.050 0.127 0.000 0.879 130 N CB -0.137 38.460 38.487 0.183 0.000 0.965 130 N HN 0.294 nan 8.380 nan 0.000 0.438 131 M N 0.733 120.434 119.600 0.170 0.000 2.191 131 M HA 0.040 4.520 4.480 -0.000 0.000 0.262 131 M C 1.489 177.753 176.300 -0.060 0.000 1.083 131 M CA 1.454 56.827 55.300 0.120 0.000 1.154 131 M CB -0.037 32.631 32.600 0.114 0.000 1.344 131 M HN -0.130 nan 8.290 nan 0.000 0.431 132 K N 0.328 120.577 120.400 -0.252 0.000 1.988 132 K HA -0.219 4.101 4.320 -0.000 0.000 0.221 132 K C 1.791 177.963 176.600 -0.713 0.000 1.053 132 K CA 2.050 57.910 56.287 -0.712 0.000 0.959 132 K CB -0.757 31.022 32.500 -1.202 0.000 0.728 132 K HN 0.401 nan 8.250 nan 0.000 0.447 133 D N -0.123 119.943 120.400 -0.556 0.000 2.104 133 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 133 D C 1.991 178.273 176.300 -0.029 0.000 0.994 133 D CA 1.515 55.380 54.000 -0.225 0.000 0.830 133 D CB -0.595 40.143 40.800 -0.103 0.000 0.959 133 D HN 0.429 nan 8.370 nan 0.000 0.452 134 G N 1.461 110.287 108.800 0.042 0.000 2.514 134 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 134 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 134 G C 1.834 176.903 174.900 0.281 0.000 1.198 134 G CA 0.587 45.811 45.100 0.206 0.000 0.780 134 G HN 0.257 nan 8.290 nan 0.000 0.565 135 L N 0.150 121.489 121.223 0.193 0.000 2.079 135 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 135 L C 3.009 179.936 176.870 0.095 0.000 1.081 135 L CA 1.752 56.654 54.840 0.103 0.000 0.752 135 L CB -0.486 41.552 42.059 -0.036 0.000 0.896 135 L HN 0.420 nan 8.230 nan 0.000 0.433 136 Q N 0.220 120.075 119.800 0.092 0.000 2.016 136 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 136 Q C 2.055 178.094 176.000 0.065 0.000 0.978 136 Q CA 1.573 57.431 55.803 0.092 0.000 0.833 136 Q CB 0.078 28.937 28.738 0.202 0.000 0.895 136 Q HN 0.494 nan 8.270 nan 0.000 0.427 137 N N 0.634 119.384 118.700 0.084 0.000 2.036 137 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 137 N C 2.048 177.598 175.510 0.067 0.000 1.037 137 N CA 1.448 54.536 53.050 0.063 0.000 0.855 137 N CB -1.014 37.517 38.487 0.075 0.000 1.033 137 N HN 0.388 nan 8.380 nan 0.000 0.423 138 C N 1.949 121.347 119.300 0.163 0.000 2.418 138 C HA -0.126 4.334 4.460 -0.000 0.000 0.280 138 C C 2.724 177.815 174.990 0.168 0.000 1.223 138 C CA 1.195 60.362 59.018 0.248 0.000 1.736 138 C CB -1.051 26.923 27.740 0.390 0.000 2.056 138 C HN 0.470 nan 8.230 nan 0.000 0.459 139 K N 0.279 120.741 120.400 0.103 0.000 2.089 139 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 139 K C 1.952 178.523 176.600 -0.049 0.000 1.048 139 K CA 2.043 58.316 56.287 -0.024 0.000 0.926 139 K CB -0.399 31.933 32.500 -0.280 0.000 0.714 139 K HN 0.610 nan 8.250 nan 0.000 0.448 140 A N -0.303 122.485 122.820 -0.053 0.000 2.123 140 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 140 A C 1.913 179.441 177.584 -0.094 0.000 1.152 140 A CA 1.359 53.357 52.037 -0.065 0.000 0.728 140 A CB -0.147 18.822 19.000 -0.052 0.000 0.814 140 A HN 0.370 nan 8.150 nan 0.000 0.464 141 T N -1.596 112.859 114.554 -0.165 0.000 2.866 141 T HA 0.037 4.387 4.350 -0.000 0.000 0.250 141 T C 0.963 175.378 174.700 -0.476 0.000 1.033 141 T CA 1.136 62.994 62.100 -0.403 0.000 1.145 141 T CB -0.277 68.166 68.868 -0.708 0.000 0.866 141 T HN 0.508 nan 8.240 nan 0.000 0.434 142 Y N 1.377 121.757 120.300 0.133 0.000 2.524 142 Y HA 0.402 4.952 4.550 -0.000 0.000 0.266 142 Y C 0.556 176.596 175.900 0.234 0.000 1.180 142 Y CA -1.022 57.194 58.100 0.193 0.000 1.244 142 Y CB -0.638 37.954 38.460 0.219 0.000 1.125 142 Y HN 0.074 nan 8.280 nan 0.000 0.524 143 K N 1.142 121.655 120.400 0.188 0.000 3.985 143 K HA -0.210 4.110 4.320 -0.000 0.000 0.274 143 K C -2.635 174.035 176.600 0.118 0.000 0.799 143 K CA 0.008 56.368 56.287 0.121 0.000 0.661 143 K CB -1.148 31.392 32.500 0.066 0.000 1.778 143 K HN 0.324 nan 8.250 nan 0.000 0.429 144 P HA 0.105 nan 4.420 nan 0.000 0.278 144 P C -0.177 177.203 177.300 0.134 0.000 1.266 144 P CA -0.308 62.818 63.100 0.044 0.000 0.807 144 P CB 0.850 32.712 31.700 0.270 0.000 1.094 145 D N -0.817 119.577 120.400 -0.009 0.000 2.327 145 D HA 0.150 4.790 4.640 -0.000 0.000 0.205 145 D C 0.713 176.944 176.300 -0.115 0.000 0.989 145 D CA 1.087 55.111 54.000 0.040 0.000 0.873 145 D CB 0.291 41.059 40.800 -0.052 0.000 0.955 145 D HN 0.324 nan 8.370 nan 0.000 0.515 146 M N 0.150 119.669 119.600 -0.134 0.000 2.465 146 M HA 0.372 4.852 4.480 -0.000 0.000 0.284 146 M C -2.103 174.127 176.300 -0.116 0.000 1.212 146 M CA -0.519 54.569 55.300 -0.353 0.000 0.910 146 M CB 2.423 34.891 32.600 -0.221 0.000 1.725 146 M HN -0.325 nan 8.290 nan 0.000 0.477 147 I N 3.312 123.776 120.570 -0.177 0.000 2.439 147 I HA 0.542 4.712 4.170 -0.000 0.000 0.283 147 I C -0.338 175.697 176.117 -0.135 0.000 1.023 147 I CA -0.777 60.518 61.300 -0.008 0.000 1.100 147 I CB 1.870 39.946 38.000 0.128 0.000 1.238 147 I HN 0.821 nan 8.210 nan 0.000 0.445 148 A N 6.668 129.439 122.820 -0.081 0.000 2.301 148 A HA 0.695 5.015 4.320 -0.000 0.000 0.298 148 A C -0.385 177.181 177.584 -0.030 0.000 1.185 148 A CA -0.363 51.593 52.037 -0.135 0.000 0.830 148 A CB 0.846 19.760 19.000 -0.144 0.000 1.112 148 A HN 0.463 nan 8.150 nan 0.000 0.508 149 V N 2.878 122.756 119.914 -0.059 0.000 2.435 149 V HA 0.556 4.676 4.120 -0.000 0.000 0.290 149 V C 0.315 176.442 176.094 0.056 0.000 1.030 149 V CA -0.077 62.243 62.300 0.034 0.000 0.881 149 V CB 1.528 33.296 31.823 -0.091 0.000 0.983 149 V HN 1.034 nan 8.190 nan 0.000 0.445 150 S N 2.203 117.973 115.700 0.116 0.000 2.810 150 S HA 0.862 5.332 4.470 -0.000 0.000 0.315 150 S C -0.180 174.475 174.600 0.092 0.000 1.138 150 S CA -0.713 57.521 58.200 0.057 0.000 0.889 150 S CB 2.299 65.520 63.200 0.036 0.000 1.236 150 S HN 0.914 nan 8.310 nan 0.000 0.548 151 T N -0.860 113.720 114.554 0.043 0.000 2.896 151 T HA 0.769 5.119 4.350 -0.000 0.000 0.297 151 T C -0.348 174.376 174.700 0.041 0.000 1.108 151 T CA -0.815 61.312 62.100 0.045 0.000 1.004 151 T CB 1.275 70.136 68.868 -0.012 0.000 1.159 151 T HN 0.706 nan 8.240 nan 0.000 0.499 152 T N -1.759 112.812 114.554 0.029 0.000 2.937 152 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 152 T C 1.576 176.274 174.700 -0.002 0.000 1.012 152 T CA -0.542 61.582 62.100 0.040 0.000 0.997 152 T CB 0.455 69.347 68.868 0.041 0.000 1.136 152 T HN 0.830 nan 8.240 nan 0.000 0.551 153 C N 0.467 119.768 119.300 0.001 0.000 2.367 153 C HA -0.184 4.276 4.460 -0.000 0.000 0.276 153 C C 2.741 177.788 174.990 0.094 0.000 1.195 153 C CA 1.453 60.498 59.018 0.044 0.000 1.756 153 C CB -1.587 26.194 27.740 0.068 0.000 2.046 153 C HN 0.994 nan 8.230 nan 0.000 0.453 154 M N 1.855 121.479 119.600 0.041 0.000 2.399 154 M HA -0.251 4.229 4.480 -0.000 0.000 0.263 154 M C 2.460 178.775 176.300 0.026 0.000 1.067 154 M CA 2.851 58.166 55.300 0.026 0.000 1.084 154 M CB -0.699 31.889 32.600 -0.020 0.000 1.252 154 M HN 0.370 nan 8.290 nan 0.000 0.454 155 A N 0.214 123.014 122.820 -0.034 0.000 1.957 155 A HA -0.322 3.998 4.320 -0.000 0.000 0.224 155 A C 1.906 179.516 177.584 0.043 0.000 1.287 155 A CA 2.544 54.550 52.037 -0.053 0.000 0.682 155 A CB -1.311 17.623 19.000 -0.109 0.000 0.833 155 A HN 0.792 nan 8.150 nan 0.000 0.482 156 E N -0.779 119.479 120.200 0.096 0.000 2.046 156 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 156 E C 2.301 179.026 176.600 0.209 0.000 0.982 156 E CA 1.177 57.687 56.400 0.184 0.000 0.800 156 E CB -0.804 29.021 29.700 0.209 0.000 0.756 156 E HN 0.417 nan 8.360 nan 0.000 0.449 157 V N 2.763 122.808 119.914 0.219 0.000 2.282 157 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 157 V C 2.529 178.666 176.094 0.072 0.000 1.057 157 V CA 2.021 64.399 62.300 0.130 0.000 1.032 157 V CB -0.688 31.188 31.823 0.087 0.000 0.645 157 V HN 0.371 nan 8.190 nan 0.000 0.447 158 I N -0.572 120.036 120.570 0.062 0.000 3.291 158 I HA 0.331 4.501 4.170 -0.000 0.000 0.279 158 I C 1.099 177.259 176.117 0.071 0.000 1.294 158 I CA 0.661 61.989 61.300 0.046 0.000 1.428 158 I CB -1.009 37.010 38.000 0.031 0.000 1.070 158 I HN 0.367 nan 8.210 nan 0.000 0.478 159 G N 2.576 111.430 108.800 0.090 0.000 2.402 159 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.206 159 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.206 159 G C -0.969 173.990 174.900 0.098 0.000 0.637 159 G CA 0.138 45.301 45.100 0.106 0.000 0.974 159 G HN 0.567 nan 8.290 nan 0.000 0.308 160 D N 0.815 121.243 120.400 0.047 0.000 2.342 160 D HA 0.430 5.070 4.640 -0.000 0.000 0.243 160 D C -0.380 175.828 176.300 -0.153 0.000 1.019 160 D CA -0.490 53.419 54.000 -0.152 0.000 0.864 160 D CB 1.551 42.112 40.800 -0.399 0.000 1.315 160 D HN 0.287 nan 8.370 nan 0.000 0.468 161 D N 2.913 123.204 120.400 -0.181 0.000 2.441 161 D HA 0.094 4.734 4.640 -0.000 0.000 0.221 161 D C 1.414 177.611 176.300 -0.171 0.000 1.156 161 D CA -0.208 53.817 54.000 0.041 0.000 0.896 161 D CB 0.653 41.577 40.800 0.208 0.000 1.028 161 D HN 0.361 nan 8.370 nan 0.000 0.509 162 L N 3.399 124.503 121.223 -0.199 0.000 2.013 162 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 162 L C 2.213 178.776 176.870 -0.512 0.000 1.073 162 L CA 1.092 55.691 54.840 -0.402 0.000 0.753 162 L CB -0.548 41.334 42.059 -0.294 0.000 0.890 162 L HN 0.393 nan 8.230 nan 0.000 0.432 163 N N 0.104 118.454 118.700 -0.583 0.000 2.018 163 N HA -0.210 4.530 4.740 -0.000 0.000 0.196 163 N C 1.747 177.107 175.510 -0.251 0.000 1.043 163 N CA 1.968 54.596 53.050 -0.702 0.000 0.856 163 N CB -0.212 38.118 38.487 -0.262 0.000 1.042 163 N HN 0.312 nan 8.380 nan 0.000 0.423 164 A N 0.051 122.861 122.820 -0.017 0.000 1.842 164 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 164 A C 2.125 179.774 177.584 0.107 0.000 1.206 164 A CA 1.825 53.913 52.037 0.085 0.000 0.630 164 A CB -1.485 17.633 19.000 0.197 0.000 0.839 164 A HN 0.368 nan 8.150 nan 0.000 0.447 165 F N 0.054 119.924 119.950 -0.134 0.000 2.085 165 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 165 F C 2.250 177.945 175.800 -0.175 0.000 1.096 165 F CA 1.506 59.419 58.000 -0.145 0.000 1.227 165 F CB -0.834 38.046 39.000 -0.201 0.000 0.983 165 F HN 0.157 nan 8.300 nan 0.000 0.482 166 I N -0.277 120.265 120.570 -0.047 0.000 2.252 166 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 166 I C 1.966 178.041 176.117 -0.070 0.000 1.102 166 I CA 1.192 62.412 61.300 -0.134 0.000 1.385 166 I CB -0.508 37.316 38.000 -0.292 0.000 1.064 166 I HN 0.138 nan 8.210 nan 0.000 0.414 167 N N 1.251 119.910 118.700 -0.069 0.000 2.289 167 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 167 N C 1.430 176.937 175.510 -0.005 0.000 1.016 167 N CA 1.273 54.306 53.050 -0.028 0.000 0.872 167 N CB -0.588 37.882 38.487 -0.027 0.000 0.973 167 N HN 0.436 nan 8.380 nan 0.000 0.433 168 N N -0.073 118.622 118.700 -0.009 0.000 2.290 168 N HA 0.048 4.788 4.740 -0.000 0.000 0.179 168 N C 1.531 177.081 175.510 0.066 0.000 1.016 168 N CA 0.565 53.617 53.050 0.004 0.000 0.871 168 N CB -0.081 38.377 38.487 -0.048 0.000 0.987 168 N HN 0.014 nan 8.380 nan 0.000 0.431 169 S N 0.417 116.157 115.700 0.067 0.000 2.442 169 S HA -0.050 4.420 4.470 -0.000 0.000 0.236 169 S C 1.557 176.260 174.600 0.171 0.000 1.007 169 S CA 1.053 59.352 58.200 0.166 0.000 0.965 169 S CB -0.018 63.217 63.200 0.059 0.000 0.773 169 S HN 0.325 nan 8.310 nan 0.000 0.504 170 K N 1.116 121.567 120.400 0.085 0.000 2.067 170 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 170 K C 2.249 178.871 176.600 0.036 0.000 1.048 170 K CA 0.713 57.038 56.287 0.064 0.000 0.954 170 K CB -0.118 32.414 32.500 0.053 0.000 0.737 170 K HN 0.188 nan 8.250 nan 0.000 0.444 171 K N 1.651 122.068 120.400 0.029 0.000 2.009 171 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 171 K C 1.663 178.255 176.600 -0.012 0.000 1.049 171 K CA 1.845 58.136 56.287 0.007 0.000 0.929 171 K CB -0.006 32.497 32.500 0.005 0.000 0.714 171 K HN -0.120 nan 8.250 nan 0.000 0.440 172 E N -0.424 119.784 120.200 0.012 0.000 2.515 172 E HA 0.004 4.354 4.350 -0.000 0.000 0.201 172 E C 0.476 176.935 176.600 -0.234 0.000 1.071 172 E CA 0.908 57.277 56.400 -0.051 0.000 0.880 172 E CB -0.085 29.672 29.700 0.095 0.000 0.828 172 E HN 0.639 nan 8.360 nan 0.000 0.540 173 G N -0.579 108.131 108.800 -0.150 0.000 2.182 173 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 173 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 173 G C 0.483 175.204 174.900 -0.299 0.000 1.042 173 G CA 0.319 45.296 45.100 -0.204 0.000 0.775 173 G HN 0.324 nan 8.290 nan 0.000 0.501 174 F N 0.176 120.108 119.950 -0.029 0.000 2.416 174 F HA 0.368 4.895 4.527 -0.000 0.000 0.296 174 F C 1.711 177.479 175.800 -0.053 0.000 1.099 174 F CA 1.219 59.199 58.000 -0.032 0.000 1.427 174 F CB 0.262 39.250 39.000 -0.021 0.000 1.079 174 F HN 0.462 nan 8.300 nan 0.000 0.536 175 I N -4.159 116.463 120.570 0.086 0.000 2.775 175 I HA 0.461 4.631 4.170 -0.000 0.000 0.295 175 I C -2.918 173.207 176.117 0.012 0.000 1.287 175 I CA -2.580 58.715 61.300 -0.009 0.000 1.029 175 I CB 1.621 39.614 38.000 -0.011 0.000 1.282 175 I HN -0.371 nan 8.210 nan 0.000 0.426 176 P HA -0.086 nan 4.420 nan 0.000 0.271 176 P C -0.022 177.341 177.300 0.104 0.000 1.197 176 P CA 0.255 63.382 63.100 0.045 0.000 0.777 176 P CB 0.536 32.273 31.700 0.062 0.000 0.827 177 D N 0.683 121.132 120.400 0.082 0.000 2.347 177 D HA -0.079 4.561 4.640 -0.000 0.000 0.213 177 D C 0.434 176.799 176.300 0.110 0.000 0.985 177 D CA 0.819 54.869 54.000 0.083 0.000 0.879 177 D CB 0.369 41.196 40.800 0.046 0.000 0.919 177 D HN 0.370 nan 8.370 nan 0.000 0.526 178 E N -0.676 119.605 120.200 0.135 0.000 2.538 178 E HA 0.100 4.450 4.350 -0.000 0.000 0.207 178 E C 0.015 176.733 176.600 0.197 0.000 1.002 178 E CA -0.499 55.984 56.400 0.137 0.000 0.952 178 E CB -0.627 29.134 29.700 0.101 0.000 1.031 178 E HN 0.060 nan 8.360 nan 0.000 0.476 179 F N 4.935 124.927 119.950 0.070 0.000 2.506 179 F HA 0.225 4.752 4.527 -0.000 0.000 0.371 179 F C -1.975 173.868 175.800 0.073 0.000 1.078 179 F CA -3.278 54.758 58.000 0.060 0.000 1.195 179 F CB 0.592 39.607 39.000 0.026 0.000 1.099 179 F HN -0.128 nan 8.300 nan 0.000 0.548 180 P HA 0.008 nan 4.420 nan 0.000 0.261 180 P C -0.933 175.930 177.300 -0.728 0.000 1.203 180 P CA 0.246 63.110 63.100 -0.393 0.000 0.767 180 P CB 0.953 32.554 31.700 -0.165 0.000 0.785 181 V N 6.253 125.667 119.914 -0.833 0.000 2.564 181 V HA 0.198 4.318 4.120 -0.000 0.000 0.259 181 V C -1.851 173.725 176.094 -0.863 0.000 0.936 181 V CA -1.526 60.392 62.300 -0.636 0.000 0.867 181 V CB 1.351 33.004 31.823 -0.282 0.000 1.076 181 V HN 0.523 nan 8.190 nan 0.000 0.476 182 P HA 0.516 nan 4.420 nan 0.000 0.274 182 P C -0.917 176.280 177.300 -0.172 0.000 1.256 182 P CA -0.003 62.666 63.100 -0.718 0.000 0.795 182 P CB 1.346 32.605 31.700 -0.736 0.000 1.038 183 F N -3.187 116.570 119.950 -0.322 0.000 2.713 183 F HA 0.804 5.331 4.527 -0.000 0.000 0.311 183 F C -2.169 173.538 175.800 -0.156 0.000 1.141 183 F CA -1.695 56.169 58.000 -0.227 0.000 0.939 183 F CB 0.798 39.676 39.000 -0.203 0.000 1.325 183 F HN 0.588 nan 8.300 nan 0.000 0.453 184 A N 0.879 123.585 122.820 -0.189 0.000 2.555 184 A HA 0.529 4.849 4.320 -0.000 0.000 0.297 184 A C -1.970 175.589 177.584 -0.042 0.000 1.060 184 A CA -0.679 51.232 52.037 -0.209 0.000 0.710 184 A CB 0.796 19.675 19.000 -0.203 0.000 1.282 184 A HN 0.986 nan 8.150 nan 0.000 0.399 185 H N 1.603 120.645 119.070 -0.047 0.000 2.646 185 H HA 0.427 4.983 4.556 -0.000 0.000 0.325 185 H C -0.012 175.294 175.328 -0.037 0.000 1.075 185 H CA 1.223 57.271 56.048 -0.000 0.000 1.421 185 H CB 1.163 30.935 29.762 0.016 0.000 1.461 185 H HN 0.683 nan 8.280 nan 0.000 0.525 186 T N 1.213 115.785 114.554 0.029 0.000 3.305 186 T HA 0.193 4.543 4.350 -0.000 0.000 0.348 186 T C -2.897 171.730 174.700 -0.122 0.000 1.394 186 T CA -1.923 60.158 62.100 -0.032 0.000 1.549 186 T CB 0.993 69.844 68.868 -0.027 0.000 0.962 186 T HN 0.335 nan 8.240 nan 0.000 0.609 187 P HA 0.189 nan 4.420 nan 0.000 0.271 187 P C 0.954 177.860 177.300 -0.657 0.000 1.233 187 P CA 0.029 62.752 63.100 -0.629 0.000 0.764 187 P CB 1.363 32.590 31.700 -0.789 0.000 0.825 188 S N 3.253 118.600 115.700 -0.588 0.000 2.365 188 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 188 S C 1.267 175.705 174.600 -0.269 0.000 1.039 188 S CA 1.569 59.593 58.200 -0.294 0.000 1.033 188 S CB -0.998 62.124 63.200 -0.130 0.000 0.887 188 S HN 0.677 nan 8.310 nan 0.000 0.447 189 F N 1.246 121.197 119.950 0.002 0.000 2.738 189 F HA 0.435 4.962 4.527 -0.000 0.000 0.301 189 F C -0.156 175.640 175.800 -0.007 0.000 1.269 189 F CA -0.668 57.328 58.000 -0.007 0.000 1.441 189 F CB -0.979 38.017 39.000 -0.006 0.000 1.101 189 F HN -0.193 nan 8.300 nan 0.000 0.545 190 V N 0.278 120.167 119.914 -0.041 0.000 2.623 190 V HA 0.752 4.872 4.120 -0.000 0.000 0.304 190 V C 0.571 176.645 176.094 -0.034 0.000 1.054 190 V CA -0.826 61.485 62.300 0.018 0.000 0.882 190 V CB 0.734 32.565 31.823 0.014 0.000 1.002 190 V HN 0.680 nan 8.190 nan 0.000 0.424 191 G N 4.472 113.259 108.800 -0.023 0.000 2.774 191 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.279 191 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.279 191 G C 0.214 175.054 174.900 -0.099 0.000 1.372 191 G CA 0.176 45.239 45.100 -0.062 0.000 0.913 191 G HN 1.568 nan 8.290 nan 0.000 0.562 192 S N -1.384 114.221 115.700 -0.157 0.000 2.647 192 S HA 0.575 5.045 4.470 -0.000 0.000 0.284 192 S C 1.693 176.169 174.600 -0.206 0.000 1.134 192 S CA 0.595 58.693 58.200 -0.170 0.000 1.027 192 S CB 0.764 63.804 63.200 -0.266 0.000 1.180 192 S HN 1.466 nan 8.310 nan 0.000 0.521 193 H N 0.568 119.518 119.070 -0.200 0.000 2.387 193 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 193 H C 2.210 177.379 175.328 -0.265 0.000 1.090 193 H CA 1.832 57.748 56.048 -0.220 0.000 1.332 193 H CB -1.622 27.958 29.762 -0.304 0.000 1.386 193 H HN 0.510 nan 8.280 nan 0.000 0.516 194 V N -0.209 119.073 119.914 -1.052 0.000 2.469 194 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 194 V C 2.256 178.268 176.094 -0.136 0.000 1.064 194 V CA 2.204 64.090 62.300 -0.691 0.000 1.066 194 V CB -1.410 29.804 31.823 -1.016 0.000 0.667 194 V HN 0.343 nan 8.190 nan 0.000 0.461 195 T N 1.011 115.479 114.554 -0.144 0.000 2.821 195 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 195 T C 1.896 176.642 174.700 0.077 0.000 1.046 195 T CA 1.665 63.767 62.100 0.004 0.000 1.139 195 T CB -0.764 68.081 68.868 -0.038 0.000 0.871 195 T HN 0.747 nan 8.240 nan 0.000 0.454 196 G N -0.139 108.698 108.800 0.062 0.000 2.459 196 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 196 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 196 G C 1.298 176.317 174.900 0.197 0.000 1.183 196 G CA 0.708 45.865 45.100 0.095 0.000 0.776 196 G HN 0.539 nan 8.290 nan 0.000 0.552 197 W N 1.267 122.638 121.300 0.118 0.000 2.298 197 W HA -0.185 4.475 4.660 -0.000 0.000 0.328 197 W C 2.422 179.052 176.519 0.186 0.000 1.259 197 W CA 1.946 59.418 57.345 0.212 0.000 1.251 197 W CB -0.172 29.473 29.460 0.307 0.000 1.161 197 W HN 0.231 nan 8.180 nan 0.000 0.466 198 D N -0.180 120.572 120.400 0.587 0.000 2.269 198 D HA -0.292 4.348 4.640 -0.000 0.000 0.191 198 D C 1.617 178.056 176.300 0.232 0.000 1.007 198 D CA 2.344 56.584 54.000 0.400 0.000 0.855 198 D CB -0.767 40.180 40.800 0.244 0.000 0.979 198 D HN 0.138 nan 8.370 nan 0.000 0.452 199 N N -0.278 118.499 118.700 0.128 0.000 2.002 199 N HA -0.219 4.521 4.740 -0.000 0.000 0.199 199 N C 1.689 177.176 175.510 -0.038 0.000 1.060 199 N CA 1.744 54.807 53.050 0.022 0.000 0.867 199 N CB -0.681 37.809 38.487 0.005 0.000 1.069 199 N HN 0.194 nan 8.380 nan 0.000 0.430 200 M N 0.035 119.605 119.600 -0.051 0.000 2.609 200 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 200 M C 1.837 178.024 176.300 -0.189 0.000 1.061 200 M CA 1.615 56.830 55.300 -0.141 0.000 1.068 200 M CB -1.036 31.477 32.600 -0.145 0.000 1.258 200 M HN 0.300 nan 8.290 nan 0.000 0.471 201 F N 0.713 120.470 119.950 -0.321 0.000 2.032 201 F HA -0.338 4.189 4.527 -0.000 0.000 0.297 201 F C 2.415 178.081 175.800 -0.223 0.000 1.125 201 F CA 2.764 60.590 58.000 -0.289 0.000 1.202 201 F CB -0.871 37.971 39.000 -0.263 0.000 0.958 201 F HN 0.383 nan 8.300 nan 0.000 0.491 202 E N 0.446 120.636 120.200 -0.016 0.000 2.065 202 E HA -0.256 4.094 4.350 -0.000 0.000 0.201 202 E C 2.433 178.728 176.600 -0.509 0.000 1.016 202 E CA 1.608 57.842 56.400 -0.276 0.000 0.818 202 E CB -1.118 28.480 29.700 -0.170 0.000 0.749 202 E HN 0.549 nan 8.360 nan 0.000 0.453 203 G N 0.887 109.440 108.800 -0.412 0.000 2.485 203 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 203 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 203 G C 1.734 176.350 174.900 -0.473 0.000 1.115 203 G CA 0.995 45.803 45.100 -0.488 0.000 0.751 203 G HN 0.310 nan 8.290 nan 0.000 0.567 204 I N 0.728 121.004 120.570 -0.491 0.000 2.400 204 I HA 0.025 4.195 4.170 -0.000 0.000 0.248 204 I C 3.226 179.156 176.117 -0.312 0.000 1.109 204 I CA 0.618 61.644 61.300 -0.457 0.000 1.425 204 I CB -0.215 37.418 38.000 -0.612 0.000 1.094 204 I HN 0.206 nan 8.210 nan 0.000 0.425 205 A N 1.399 123.935 122.820 -0.473 0.000 1.892 205 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 205 A C 2.394 179.880 177.584 -0.162 0.000 1.188 205 A CA 1.793 53.667 52.037 -0.271 0.000 0.631 205 A CB -0.642 18.022 19.000 -0.560 0.000 0.822 205 A HN 0.300 nan 8.150 nan 0.000 0.447 206 R N -2.335 117.846 120.500 -0.533 0.000 2.088 206 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 206 R C 2.121 178.368 176.300 -0.088 0.000 1.136 206 R CA 1.730 57.647 56.100 -0.304 0.000 0.926 206 R CB -0.782 29.283 30.300 -0.392 0.000 0.837 206 R HN 0.600 nan 8.270 nan 0.000 0.429 207 Y N -0.041 120.066 120.300 -0.321 0.000 2.321 207 Y HA -0.273 4.277 4.550 -0.000 0.000 0.281 207 Y C 1.010 176.617 175.900 -0.489 0.000 1.200 207 Y CA 1.536 59.372 58.100 -0.440 0.000 1.269 207 Y CB 0.070 38.114 38.460 -0.693 0.000 0.972 207 Y HN 0.042 nan 8.280 nan 0.000 0.550 208 F N -2.540 117.430 119.950 0.033 0.000 2.746 208 F HA 0.164 4.691 4.527 -0.000 0.000 0.320 208 F C 1.695 177.535 175.800 0.068 0.000 1.097 208 F CA 0.691 58.704 58.000 0.021 0.000 1.195 208 F CB 0.141 39.174 39.000 0.055 0.000 1.056 208 F HN 0.022 nan 8.300 nan 0.000 0.562 209 T N -4.125 110.623 114.554 0.323 0.000 3.046 209 T HA 0.123 4.473 4.350 -0.000 0.000 0.270 209 T C 1.537 176.428 174.700 0.318 0.000 0.920 209 T CA 0.179 62.492 62.100 0.357 0.000 0.874 209 T CB -0.359 68.920 68.868 0.684 0.000 1.214 209 T HN 0.032 nan 8.240 nan 0.000 0.536 210 L N 1.871 123.262 121.223 0.279 0.000 1.976 210 L HA 0.276 4.616 4.340 -0.000 0.000 0.209 210 L C 1.456 178.391 176.870 0.108 0.000 1.071 210 L CA 1.691 56.662 54.840 0.218 0.000 0.746 210 L CB -0.438 41.721 42.059 0.167 0.000 0.890 210 L HN -0.028 nan 8.230 nan 0.000 0.432 211 K N 0.566 120.991 120.400 0.043 0.000 2.836 211 K HA 0.158 4.478 4.320 -0.000 0.000 0.236 211 K C 0.267 176.877 176.600 0.016 0.000 1.015 211 K CA 0.749 57.043 56.287 0.011 0.000 1.194 211 K CB -0.821 31.656 32.500 -0.037 0.000 1.002 211 K HN 0.543 nan 8.250 nan 0.000 0.479 212 S N -1.543 114.182 115.700 0.042 0.000 2.539 212 S HA 0.180 4.650 4.470 -0.000 0.000 0.176 212 S C 0.374 174.996 174.600 0.036 0.000 0.829 212 S CA -0.611 57.607 58.200 0.030 0.000 0.990 212 S CB -0.246 62.966 63.200 0.021 0.000 1.717 212 S HN -0.029 nan 8.310 nan 0.000 0.519 213 M N 1.635 121.261 119.600 0.045 0.000 2.494 213 M HA 0.207 4.687 4.480 -0.000 0.000 0.232 213 M C 0.587 176.900 176.300 0.021 0.000 1.137 213 M CA 0.281 55.606 55.300 0.041 0.000 1.012 213 M CB -0.845 31.794 32.600 0.064 0.000 1.567 213 M HN 0.469 nan 8.290 nan 0.000 0.486 214 D N 1.409 121.817 120.400 0.014 0.000 2.091 214 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 214 D C 0.978 177.278 176.300 -0.001 0.000 0.980 214 D CA 1.443 55.447 54.000 0.007 0.000 0.831 214 D CB -0.126 40.677 40.800 0.005 0.000 0.987 214 D HN 0.459 nan 8.370 nan 0.000 0.460 215 D N 0.491 120.887 120.400 -0.006 0.000 2.336 215 D HA -0.047 4.593 4.640 -0.000 0.000 0.229 215 D C 0.145 176.432 176.300 -0.021 0.000 1.061 215 D CA 0.211 54.203 54.000 -0.013 0.000 0.875 215 D CB -0.042 40.749 40.800 -0.015 0.000 0.904 215 D HN -0.083 nan 8.370 nan 0.000 0.525 216 K N 0.648 121.035 120.400 -0.021 0.000 2.201 216 K HA 0.469 4.789 4.320 -0.000 0.000 0.278 216 K C -0.503 176.085 176.600 -0.020 0.000 1.027 216 K CA -0.880 55.387 56.287 -0.034 0.000 0.909 216 K CB 2.577 35.048 32.500 -0.049 0.000 1.062 216 K HN -0.097 nan 8.250 nan 0.000 0.465 217 V N 2.307 122.204 119.914 -0.027 0.000 2.509 217 V HA 0.094 4.214 4.120 -0.000 0.000 0.289 217 V C 0.059 176.133 176.094 -0.032 0.000 1.026 217 V CA -1.276 61.012 62.300 -0.021 0.000 0.872 217 V CB 1.656 33.465 31.823 -0.023 0.000 1.017 217 V HN 0.456 nan 8.190 nan 0.000 0.436 218 V N 4.781 124.679 119.914 -0.027 0.000 2.644 218 V HA 0.230 4.350 4.120 -0.000 0.000 0.303 218 V C 1.653 177.690 176.094 -0.095 0.000 1.058 218 V CA 2.215 64.466 62.300 -0.080 0.000 1.228 218 V CB -0.007 31.761 31.823 -0.092 0.000 0.861 218 V HN 1.482 nan 8.190 nan 0.000 0.484 219 G N 3.860 112.590 108.800 -0.118 0.000 2.195 219 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 219 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 219 G C 1.043 175.906 174.900 -0.062 0.000 0.984 219 G CA 0.865 45.911 45.100 -0.089 0.000 0.633 219 G HN 1.268 nan 8.290 nan 0.000 0.525 220 S N 0.848 116.513 115.700 -0.058 0.000 2.442 220 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 220 S C 1.685 176.257 174.600 -0.046 0.000 1.007 220 S CA 1.836 60.007 58.200 -0.048 0.000 0.965 220 S CB -0.357 62.815 63.200 -0.046 0.000 0.773 220 S HN 1.227 nan 8.310 nan 0.000 0.504 221 N N -0.200 118.470 118.700 -0.050 0.000 2.205 221 N HA 0.198 4.938 4.740 -0.000 0.000 0.201 221 N C -0.028 175.458 175.510 -0.040 0.000 1.128 221 N CA -0.095 52.928 53.050 -0.046 0.000 0.867 221 N CB -0.174 38.283 38.487 -0.050 0.000 0.996 221 N HN 0.132 nan 8.380 nan 0.000 0.503 222 K N -0.977 119.400 120.400 -0.038 0.000 3.160 222 K HA -0.209 4.111 4.320 -0.000 0.000 0.280 222 K C -0.886 175.702 176.600 -0.019 0.000 1.154 222 K CA 0.907 57.176 56.287 -0.030 0.000 0.822 222 K CB -1.815 30.669 32.500 -0.028 0.000 1.239 222 K HN 0.483 nan 8.250 nan 0.000 0.489 223 K N -0.197 120.195 120.400 -0.014 0.000 2.306 223 K HA 0.648 4.968 4.320 -0.000 0.000 0.236 223 K C -0.206 176.419 176.600 0.042 0.000 1.013 223 K CA -1.013 55.282 56.287 0.015 0.000 0.857 223 K CB 1.701 34.205 32.500 0.006 0.000 1.214 223 K HN -0.043 nan 8.250 nan 0.000 0.449 224 I N 2.051 122.678 120.570 0.094 0.000 2.436 224 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 224 I C -0.605 175.623 176.117 0.186 0.000 1.010 224 I CA -1.044 60.327 61.300 0.118 0.000 1.098 224 I CB 1.703 39.761 38.000 0.097 0.000 1.266 224 I HN 0.455 nan 8.210 nan 0.000 0.434 225 N N 6.508 125.343 118.700 0.226 0.000 2.530 225 N HA 0.470 5.210 4.740 -0.000 0.000 0.277 225 N C -0.716 174.949 175.510 0.258 0.000 1.168 225 N CA -0.246 52.968 53.050 0.275 0.000 0.979 225 N CB 1.917 40.626 38.487 0.370 0.000 1.141 225 N HN 0.345 nan 8.380 nan 0.000 0.459 226 I N 1.840 122.562 120.570 0.253 0.000 2.447 226 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 226 I C -0.515 175.713 176.117 0.185 0.000 1.023 226 I CA -0.691 60.728 61.300 0.198 0.000 1.083 226 I CB 1.501 39.599 38.000 0.164 0.000 1.245 226 I HN 0.040 nan 8.210 nan 0.000 0.434 227 V N 8.924 128.903 119.914 0.109 0.000 2.311 227 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 227 V C -1.253 174.806 176.094 -0.059 0.000 1.022 227 V CA -1.022 61.291 62.300 0.021 0.000 0.830 227 V CB 1.534 33.248 31.823 -0.182 0.000 1.012 227 V HN 0.567 nan 8.190 nan 0.000 0.452 228 P HA 0.058 nan 4.420 nan 0.000 0.225 228 P C 0.894 177.932 177.300 -0.436 0.000 1.156 228 P CA 1.495 64.543 63.100 -0.088 0.000 0.787 228 P CB 0.545 32.382 31.700 0.229 0.000 0.802 229 G N 0.877 109.064 108.800 -1.022 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 -0.788 172.964 174.900 -1.913 0.000 1.302 229 G CA -0.197 43.749 45.100 -1.924 0.000 0.903 229 G HN 0.337 nan 8.290 nan 0.000 0.575 230 F N 2.315 121.530 119.950 -1.225 0.000 2.509 230 F HA 0.603 5.130 4.527 -0.000 0.000 0.350 230 F C 0.380 175.972 175.800 -0.346 0.000 1.220 230 F CA -0.018 57.568 58.000 -0.690 0.000 1.151 230 F CB 0.565 39.370 39.000 -0.324 0.000 1.379 230 F HN 0.595 nan 8.300 nan 0.000 0.610 231 E N 3.051 122.942 120.200 -0.516 0.000 2.171 231 E HA 0.278 4.628 4.350 -0.000 0.000 0.271 231 E C 0.225 176.550 176.600 -0.458 0.000 0.916 231 E CA -0.394 55.689 56.400 -0.528 0.000 0.774 231 E CB 1.424 30.686 29.700 -0.730 0.000 1.128 231 E HN 0.509 nan 8.360 nan 0.000 0.403 232 T N 1.006 115.334 114.554 -0.377 0.000 3.044 232 T HA 0.242 4.592 4.350 -0.000 0.000 0.260 232 T C 0.055 175.056 174.700 0.501 0.000 1.019 232 T CA -0.109 62.026 62.100 0.058 0.000 0.921 232 T CB -0.262 68.496 68.868 -0.185 0.000 1.053 232 T HN 0.430 nan 8.240 nan 0.000 0.533 233 Y N 1.965 122.246 120.300 -0.031 0.000 2.491 233 Y HA 0.403 4.953 4.550 -0.000 0.000 0.334 233 Y C 1.290 177.153 175.900 -0.061 0.000 0.969 233 Y CA -1.401 56.705 58.100 0.010 0.000 1.241 233 Y CB 0.937 39.347 38.460 -0.084 0.000 1.105 233 Y HN -0.019 nan 8.280 nan 0.000 0.503 234 L N 2.545 123.899 121.223 0.218 0.000 1.991 234 L HA -0.299 4.041 4.340 -0.000 0.000 0.221 234 L C 2.519 179.444 176.870 0.091 0.000 1.079 234 L CA 1.864 56.823 54.840 0.199 0.000 0.778 234 L CB -0.873 41.246 42.059 0.100 0.000 0.893 234 L HN 0.851 nan 8.230 nan 0.000 0.437 235 G N -0.281 108.519 108.800 0.001 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 1.377 176.263 174.900 -0.024 0.000 1.095 235 G CA 1.351 46.436 45.100 -0.025 0.000 0.738 235 G HN 0.378 nan 8.290 nan 0.000 0.600 236 N N 0.421 119.082 118.700 -0.064 0.000 2.081 236 N HA -0.056 4.684 4.740 -0.000 0.000 0.191 236 N C 1.915 177.361 175.510 -0.107 0.000 1.053 236 N CA 0.962 53.925 53.050 -0.144 0.000 0.846 236 N CB -0.748 37.571 38.487 -0.279 0.000 1.032 236 N HN 0.246 nan 8.380 nan 0.000 0.431 237 F N 2.068 121.992 119.950 -0.043 0.000 2.079 237 F HA -0.256 4.271 4.527 -0.000 0.000 0.296 237 F C 2.476 178.235 175.800 -0.068 0.000 1.084 237 F CA 1.414 59.380 58.000 -0.058 0.000 1.236 237 F CB -0.736 38.239 39.000 -0.042 0.000 0.984 237 F HN 0.057 nan 8.300 nan 0.000 0.488 238 R N -0.206 120.384 120.500 0.150 0.000 2.096 238 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 238 R C 2.248 178.547 176.300 -0.002 0.000 1.134 238 R CA 1.630 57.764 56.100 0.058 0.000 0.917 238 R CB -1.394 28.930 30.300 0.039 0.000 0.832 238 R HN 0.242 nan 8.270 nan 0.000 0.430 239 V N 1.916 121.814 119.914 -0.026 0.000 2.363 239 V HA -0.286 3.834 4.120 -0.000 0.000 0.254 239 V C 2.108 178.149 176.094 -0.089 0.000 1.074 239 V CA 1.758 64.023 62.300 -0.057 0.000 1.069 239 V CB -0.402 31.375 31.823 -0.076 0.000 0.659 239 V HN 0.271 nan 8.190 nan 0.000 0.455 240 I N -0.070 120.436 120.570 -0.107 0.000 2.113 240 I HA -0.213 3.957 4.170 -0.000 0.000 0.238 240 I C 2.499 178.499 176.117 -0.195 0.000 1.070 240 I CA 1.974 63.186 61.300 -0.147 0.000 1.332 240 I CB -1.467 36.449 38.000 -0.139 0.000 1.044 240 I HN 0.381 nan 8.210 nan 0.000 0.402 241 K N -0.065 120.204 120.400 -0.218 0.000 2.044 241 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 241 K C 2.306 178.825 176.600 -0.136 0.000 1.049 241 K CA 1.321 57.410 56.287 -0.329 0.000 0.927 241 K CB -0.239 32.220 32.500 -0.069 0.000 0.713 241 K HN 0.168 nan 8.250 nan 0.000 0.443 242 R N 1.277 121.747 120.500 -0.049 0.000 2.082 242 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 242 R C 2.234 178.530 176.300 -0.007 0.000 1.136 242 R CA 1.866 57.964 56.100 -0.004 0.000 0.935 242 R CB -0.437 29.861 30.300 -0.004 0.000 0.842 242 R HN 0.255 nan 8.270 nan 0.000 0.430 243 M N 0.620 120.200 119.600 -0.032 0.000 2.073 243 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 243 M C 2.487 178.793 176.300 0.010 0.000 1.070 243 M CA 1.795 57.086 55.300 -0.014 0.000 1.103 243 M CB -0.463 32.118 32.600 -0.032 0.000 1.321 243 M HN 0.165 nan 8.290 nan 0.000 0.405 244 L N -0.762 120.451 121.223 -0.016 0.000 1.989 244 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 244 L C 2.601 179.541 176.870 0.117 0.000 1.071 244 L CA 1.284 56.139 54.840 0.025 0.000 0.749 244 L CB -0.807 41.200 42.059 -0.088 0.000 0.890 244 L HN 0.276 nan 8.230 nan 0.000 0.431 245 S N -0.764 115.036 115.700 0.167 0.000 2.419 245 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 245 S C 1.832 176.495 174.600 0.105 0.000 1.019 245 S CA 1.375 59.697 58.200 0.203 0.000 0.982 245 S CB -0.232 63.099 63.200 0.219 0.000 0.789 245 S HN 0.426 nan 8.310 nan 0.000 0.490 246 E N 0.193 120.436 120.200 0.073 0.000 2.358 246 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 246 E C 1.714 178.342 176.600 0.046 0.000 1.010 246 E CA 0.354 56.784 56.400 0.051 0.000 0.856 246 E CB -0.014 29.710 29.700 0.040 0.000 0.795 246 E HN 0.473 nan 8.360 nan 0.000 0.504 247 M N -1.184 118.447 119.600 0.052 0.000 2.428 247 M HA 0.180 4.660 4.480 -0.000 0.000 0.239 247 M C 0.999 177.324 176.300 0.042 0.000 1.121 247 M CA 1.008 56.333 55.300 0.041 0.000 1.019 247 M CB 0.833 33.453 32.600 0.033 0.000 1.485 247 M HN 0.215 nan 8.290 nan 0.000 0.484 248 G N 0.881 109.714 108.800 0.055 0.000 2.148 248 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 248 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 248 G C -0.073 174.858 174.900 0.051 0.000 0.981 248 G CA 0.282 45.410 45.100 0.046 0.000 0.670 248 G HN 0.377 nan 8.290 nan 0.000 0.528 249 V N 0.738 120.701 119.914 0.081 0.000 2.583 249 V HA 0.617 4.737 4.120 -0.000 0.000 0.287 249 V C 1.288 177.462 176.094 0.133 0.000 1.051 249 V CA 0.190 62.545 62.300 0.092 0.000 1.010 249 V CB 1.560 33.441 31.823 0.096 0.000 0.988 249 V HN 0.715 nan 8.190 nan 0.000 0.478 250 G N 4.153 112.995 108.800 0.070 0.000 2.339 250 G HA2 0.540 4.500 3.960 -0.000 0.000 0.287 250 G HA3 0.540 4.500 3.960 -0.000 0.000 0.287 250 G C -0.935 174.011 174.900 0.077 0.000 1.163 250 G CA -0.208 44.895 45.100 0.006 0.000 0.872 250 G HN 0.816 nan 8.290 nan 0.000 0.464 251 Y N -0.460 119.853 120.300 0.022 0.000 2.605 251 Y HA 0.817 5.367 4.550 -0.000 0.000 0.343 251 Y C -0.245 175.681 175.900 0.043 0.000 1.036 251 Y CA -1.667 56.458 58.100 0.041 0.000 1.065 251 Y CB 1.969 40.463 38.460 0.058 0.000 1.288 251 Y HN 0.308 nan 8.280 nan 0.000 0.481 252 S N 2.425 118.299 115.700 0.290 0.000 2.496 252 S HA 0.288 4.758 4.470 -0.000 0.000 0.221 252 S C -1.664 173.104 174.600 0.281 0.000 1.260 252 S CA -0.519 57.799 58.200 0.197 0.000 1.181 252 S CB 0.228 63.495 63.200 0.112 0.000 1.136 252 S HN 0.656 nan 8.310 nan 0.000 0.467 253 L N 5.613 127.030 121.223 0.323 0.000 2.485 253 L HA 0.374 4.714 4.340 -0.000 0.000 0.279 253 L C -0.638 176.339 176.870 0.179 0.000 1.124 253 L CA 0.347 55.330 54.840 0.238 0.000 0.888 253 L CB -0.131 42.047 42.059 0.198 0.000 1.217 253 L HN 0.552 nan 8.230 nan 0.000 0.464 254 L N 5.588 126.969 121.223 0.264 0.000 2.283 254 L HA 0.270 4.610 4.340 -0.000 0.000 0.287 254 L C 0.672 177.727 176.870 0.308 0.000 1.073 254 L CA -0.339 54.716 54.840 0.358 0.000 0.822 254 L CB 0.382 42.849 42.059 0.680 0.000 1.186 254 L HN 0.884 nan 8.230 nan 0.000 0.436 255 S N 2.505 118.130 115.700 -0.125 0.000 3.828 255 S HA -0.160 4.310 4.470 -0.000 0.000 0.722 255 S C -0.604 173.854 174.600 -0.235 0.000 0.508 255 S CA -0.133 57.833 58.200 -0.390 0.000 1.434 255 S CB -0.547 62.768 63.200 0.191 0.000 0.825 255 S HN 0.903 nan 8.310 nan 0.000 1.023 256 D N 4.765 124.909 120.400 -0.427 0.000 2.438 256 D HA 0.518 5.158 4.640 -0.000 0.000 0.257 256 D C -1.131 174.846 176.300 -0.539 0.000 1.148 256 D CA -1.823 51.871 54.000 -0.510 0.000 0.902 256 D CB 1.098 41.707 40.800 -0.319 0.000 1.062 256 D HN 0.239 nan 8.370 nan 0.000 0.518 257 P HA 0.039 nan 4.420 nan 0.000 0.262 257 P C 0.573 177.608 177.300 -0.441 0.000 1.304 257 P CA 0.163 62.995 63.100 -0.446 0.000 0.859 257 P CB 0.209 31.714 31.700 -0.326 0.000 1.310 258 E N 0.131 119.974 120.200 -0.595 0.000 2.455 258 E HA -0.175 4.175 4.350 -0.000 0.000 0.202 258 E C 1.458 177.963 176.600 -0.158 0.000 1.045 258 E CA 1.200 57.429 56.400 -0.285 0.000 0.872 258 E CB -0.322 29.255 29.700 -0.205 0.000 0.792 258 E HN 0.111 nan 8.360 nan 0.000 0.542 259 E N -0.036 120.063 120.200 -0.170 0.000 2.290 259 E HA 0.032 4.382 4.350 -0.000 0.000 0.199 259 E C 1.861 178.410 176.600 -0.085 0.000 0.912 259 E CA 0.713 57.052 56.400 -0.101 0.000 0.924 259 E CB 0.093 29.743 29.700 -0.083 0.000 0.901 259 E HN 0.241 nan 8.360 nan 0.000 0.487 260 V N 1.225 121.075 119.914 -0.107 0.000 3.217 260 V HA 0.022 4.142 4.120 -0.000 0.000 0.264 260 V C 1.506 177.534 176.094 -0.111 0.000 1.135 260 V CA 0.672 62.922 62.300 -0.083 0.000 1.142 260 V CB -0.191 31.588 31.823 -0.074 0.000 0.754 260 V HN 0.145 nan 8.190 nan 0.000 0.484 261 L N -0.180 120.937 121.223 -0.177 0.000 2.628 261 L HA 0.353 4.693 4.340 -0.000 0.000 0.229 261 L C 0.514 177.332 176.870 -0.086 0.000 1.137 261 L CA 0.519 55.208 54.840 -0.253 0.000 0.909 261 L CB 0.128 41.858 42.059 -0.549 0.000 1.137 261 L HN 0.329 nan 8.230 nan 0.000 0.470 262 D N -0.548 119.829 120.400 -0.038 0.000 3.279 262 D HA -0.010 4.630 4.640 -0.000 0.000 0.336 262 D C 0.366 176.671 176.300 0.008 0.000 1.512 262 D CA -0.047 53.960 54.000 0.011 0.000 0.754 262 D CB 0.571 41.369 40.800 -0.004 0.000 1.278 262 D HN -0.080 nan 8.370 nan 0.000 0.553 263 T N 0.579 115.145 114.554 0.019 0.000 2.930 263 T HA 0.330 4.680 4.350 -0.000 0.000 0.306 263 T C -1.987 172.736 174.700 0.039 0.000 1.045 263 T CA -0.949 61.168 62.100 0.027 0.000 1.134 263 T CB 0.939 69.838 68.868 0.052 0.000 0.961 263 T HN 0.030 nan 8.240 nan 0.000 0.545 264 P HA 0.368 nan 4.420 nan 0.000 0.276 264 P C -1.180 176.145 177.300 0.042 0.000 1.252 264 P CA -0.723 62.392 63.100 0.026 0.000 0.802 264 P CB 0.747 32.455 31.700 0.014 0.000 1.035 265 A N 1.584 124.425 122.820 0.034 0.000 2.910 265 A HA 0.316 4.636 4.320 -0.000 0.000 0.316 265 A C 0.198 177.802 177.584 0.034 0.000 1.493 265 A CA -0.360 51.701 52.037 0.040 0.000 1.150 265 A CB -1.076 17.943 19.000 0.033 0.000 1.159 265 A HN 0.570 nan 8.150 nan 0.000 0.526 266 D N 0.108 120.532 120.400 0.040 0.000 2.538 266 D HA 0.362 5.002 4.640 -0.000 0.000 0.231 266 D C 0.950 177.273 176.300 0.038 0.000 1.229 266 D CA 0.431 54.451 54.000 0.033 0.000 0.828 266 D CB 0.063 40.879 40.800 0.027 0.000 1.035 266 D HN 0.809 nan 8.370 nan 0.000 0.495 267 G N 0.400 109.228 108.800 0.047 0.000 2.194 267 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.236 267 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.236 267 G C -0.040 174.900 174.900 0.066 0.000 0.987 267 G CA 0.214 45.343 45.100 0.049 0.000 0.635 267 G HN 0.725 nan 8.290 nan 0.000 0.520 268 Q N -0.911 118.938 119.800 0.081 0.000 2.359 268 Q HA 0.740 5.080 4.340 -0.000 0.000 0.274 268 Q C -0.856 175.241 176.000 0.162 0.000 1.074 268 Q CA -1.334 54.531 55.803 0.103 0.000 0.810 268 Q CB 1.984 30.761 28.738 0.064 0.000 1.342 268 Q HN 0.604 nan 8.270 nan 0.000 0.427 269 F N 2.944 122.908 119.950 0.022 0.000 2.411 269 F HA 0.521 5.048 4.527 -0.000 0.000 0.350 269 F C -0.875 174.938 175.800 0.021 0.000 1.114 269 F CA -0.917 57.093 58.000 0.016 0.000 1.135 269 F CB 0.924 39.932 39.000 0.013 0.000 1.120 269 F HN 0.527 nan 8.300 nan 0.000 0.495 270 R N 7.925 128.122 120.500 -0.504 0.000 2.295 270 R HA 0.241 4.581 4.340 -0.000 0.000 0.324 270 R C 0.482 176.221 176.300 -0.934 0.000 0.968 270 R CA -0.597 55.164 56.100 -0.566 0.000 0.837 270 R CB 1.208 31.400 30.300 -0.181 0.000 1.133 270 R HN 0.992 nan 8.270 nan 0.000 0.450 271 M N 1.677 120.689 119.600 -0.980 0.000 2.541 271 M HA 0.116 4.596 4.480 -0.000 0.000 0.252 271 M C -0.817 175.035 176.300 -0.747 0.000 1.125 271 M CA 1.156 55.923 55.300 -0.888 0.000 1.091 271 M CB 0.468 32.536 32.600 -0.886 0.000 1.420 271 M HN 0.491 nan 8.290 nan 0.000 0.486 272 Y N -0.577 119.624 120.300 -0.166 0.000 2.581 272 Y HA 0.702 5.252 4.550 -0.000 0.000 0.345 272 Y C -0.672 175.178 175.900 -0.083 0.000 1.036 272 Y CA -1.235 56.816 58.100 -0.082 0.000 1.042 272 Y CB 1.796 40.228 38.460 -0.046 0.000 1.289 272 Y HN -0.040 nan 8.280 nan 0.000 0.471 273 A N 1.415 124.297 122.820 0.104 0.000 2.521 273 A HA 0.597 4.917 4.320 -0.000 0.000 0.298 273 A C 0.061 177.641 177.584 -0.007 0.000 1.044 273 A CA -0.192 51.860 52.037 0.026 0.000 0.911 273 A CB 0.201 19.197 19.000 -0.007 0.000 1.376 273 A HN 1.808 nan 8.150 nan 0.000 0.392 274 G N 1.476 110.267 108.800 -0.014 0.000 2.578 274 G HA2 0.471 4.431 3.960 -0.000 0.000 0.275 274 G HA3 0.471 4.431 3.960 -0.000 0.000 0.275 274 G C 1.455 176.324 174.900 -0.052 0.000 1.271 274 G CA 1.285 46.362 45.100 -0.038 0.000 0.941 274 G HN 3.227 nan 8.290 nan 0.000 0.564 275 G N -3.813 104.932 108.800 -0.093 0.000 2.619 275 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 275 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 275 G C -0.127 174.696 174.900 -0.129 0.000 1.256 275 G CA 0.374 45.389 45.100 -0.141 0.000 0.826 275 G HN 1.914 nan 8.290 nan 0.000 0.619 276 T N 2.126 116.547 114.554 -0.221 0.000 2.793 276 T HA 0.447 4.797 4.350 -0.000 0.000 0.289 276 T C 1.504 176.208 174.700 0.005 0.000 0.956 276 T CA 1.051 63.073 62.100 -0.131 0.000 1.177 276 T CB -0.110 68.611 68.868 -0.246 0.000 0.897 276 T HN 1.377 nan 8.240 nan 0.000 0.533 277 T N 2.568 117.112 114.554 -0.017 0.000 2.802 277 T HA 0.108 4.458 4.350 -0.000 0.000 0.305 277 T C 1.420 176.080 174.700 -0.066 0.000 1.053 277 T CA -0.571 61.508 62.100 -0.034 0.000 1.058 277 T CB 0.770 69.601 68.868 -0.061 0.000 0.988 277 T HN 0.623 nan 8.240 nan 0.000 0.539 278 Q N 0.625 120.330 119.800 -0.160 0.000 2.083 278 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 278 Q C 2.240 177.986 176.000 -0.423 0.000 0.969 278 Q CA 1.583 57.128 55.803 -0.431 0.000 0.838 278 Q CB -0.246 28.212 28.738 -0.468 0.000 0.900 278 Q HN 0.818 nan 8.270 nan 0.000 0.436 279 E N 1.588 121.643 120.200 -0.242 0.000 2.130 279 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 279 E C 1.648 178.158 176.600 -0.150 0.000 0.998 279 E CA 1.263 57.556 56.400 -0.178 0.000 0.806 279 E CB -0.140 29.492 29.700 -0.113 0.000 0.738 279 E HN 0.386 nan 8.360 nan 0.000 0.459 280 E N -0.289 119.840 120.200 -0.117 0.000 2.085 280 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 280 E C 1.891 178.457 176.600 -0.056 0.000 0.994 280 E CA 1.043 57.404 56.400 -0.065 0.000 0.801 280 E CB -0.025 29.662 29.700 -0.022 0.000 0.743 280 E HN 0.204 nan 8.360 nan 0.000 0.453 281 M N 0.615 120.164 119.600 -0.084 0.000 2.077 281 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 281 M C 2.006 178.260 176.300 -0.077 0.000 1.070 281 M CA 1.557 56.841 55.300 -0.026 0.000 1.125 281 M CB -0.623 31.926 32.600 -0.085 0.000 1.339 281 M HN -0.039 nan 8.290 nan 0.000 0.409 282 K N -0.095 120.199 120.400 -0.177 0.000 2.059 282 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 282 K C 1.798 178.321 176.600 -0.128 0.000 1.050 282 K CA 1.739 57.969 56.287 -0.096 0.000 0.927 282 K CB -0.348 32.081 32.500 -0.118 0.000 0.714 282 K HN 0.404 nan 8.250 nan 0.000 0.447 283 D N 0.107 120.421 120.400 -0.143 0.000 2.234 283 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 283 D C 1.776 177.937 176.300 -0.233 0.000 0.962 283 D CA 0.741 54.648 54.000 -0.155 0.000 0.855 283 D CB 0.164 40.898 40.800 -0.110 0.000 0.951 283 D HN 0.151 nan 8.370 nan 0.000 0.500 284 A N 1.865 124.524 122.820 -0.269 0.000 1.957 284 A HA -0.231 4.089 4.320 -0.000 0.000 0.224 284 A C -0.332 176.876 177.584 -0.627 0.000 1.287 284 A CA 2.082 53.885 52.037 -0.390 0.000 0.682 284 A CB -1.900 16.834 19.000 -0.443 0.000 0.833 284 A HN 0.303 nan 8.150 nan 0.000 0.482 285 P HA -0.170 nan 4.420 nan 0.000 0.217 285 P C 0.671 177.893 177.300 -0.130 0.000 1.151 285 P CA 1.667 64.296 63.100 -0.785 0.000 0.849 285 P CB -0.402 30.872 31.700 -0.710 0.000 0.787 286 N N -0.892 117.714 118.700 -0.156 0.000 2.571 286 N HA 0.084 4.824 4.740 -0.000 0.000 0.189 286 N C 0.379 175.849 175.510 -0.067 0.000 1.154 286 N CA -0.471 52.529 53.050 -0.084 0.000 0.907 286 N CB -0.113 38.321 38.487 -0.088 0.000 0.977 286 N HN 0.139 nan 8.380 nan 0.000 0.449 287 A N 0.539 123.343 122.820 -0.026 0.000 2.401 287 A HA 0.165 4.485 4.320 -0.000 0.000 0.259 287 A C 1.289 178.776 177.584 -0.161 0.000 1.103 287 A CA -0.399 51.629 52.037 -0.014 0.000 0.789 287 A CB 0.414 19.485 19.000 0.119 0.000 1.035 287 A HN 0.212 nan 8.150 nan 0.000 0.491 288 L N 1.171 122.323 121.223 -0.118 0.000 2.103 288 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 288 L C 1.217 177.941 176.870 -0.244 0.000 1.080 288 L CA 1.782 56.530 54.840 -0.154 0.000 0.764 288 L CB -0.140 41.873 42.059 -0.076 0.000 0.890 288 L HN 0.892 nan 8.230 nan 0.000 0.435 289 N N -2.761 115.845 118.700 -0.156 0.000 3.356 289 N HA 0.164 4.904 4.740 -0.000 0.000 0.246 289 N C -1.439 174.246 175.510 0.292 0.000 1.480 289 N CA -0.370 52.657 53.050 -0.037 0.000 0.877 289 N CB 1.729 40.214 38.487 -0.003 0.000 1.431 289 N HN -0.379 nan 8.380 nan 0.000 0.500 290 T N 0.607 115.400 114.554 0.398 0.000 2.890 290 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 290 T C -0.860 173.961 174.700 0.202 0.000 0.993 290 T CA -0.299 62.017 62.100 0.359 0.000 0.979 290 T CB 1.009 70.142 68.868 0.443 0.000 0.967 290 T HN 0.196 nan 8.240 nan 0.000 0.441 291 V N 5.539 125.550 119.914 0.161 0.000 2.439 291 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 291 V C -0.047 176.102 176.094 0.092 0.000 1.039 291 V CA -0.817 61.552 62.300 0.115 0.000 0.913 291 V CB 1.373 33.278 31.823 0.137 0.000 0.983 291 V HN 0.701 nan 8.190 nan 0.000 0.460 292 L N 5.562 126.803 121.223 0.031 0.000 2.265 292 L HA 0.386 4.726 4.340 -0.000 0.000 0.289 292 L C 1.054 177.889 176.870 -0.058 0.000 1.033 292 L CA -0.396 54.417 54.840 -0.046 0.000 0.814 292 L CB 1.337 43.334 42.059 -0.104 0.000 1.203 292 L HN 0.616 nan 8.230 nan 0.000 0.423 293 L N 2.204 123.377 121.223 -0.084 0.000 2.056 293 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 293 L C 0.863 177.654 176.870 -0.132 0.000 1.078 293 L CA 1.488 56.261 54.840 -0.112 0.000 0.749 293 L CB -0.094 41.875 42.059 -0.150 0.000 0.901 293 L HN 0.713 nan 8.230 nan 0.000 0.433 294 Q N -0.354 119.320 119.800 -0.210 0.000 2.849 294 Q HA 0.158 4.498 4.340 -0.000 0.000 0.289 294 Q C -1.675 174.133 176.000 -0.320 0.000 1.012 294 Q CA -1.527 54.156 55.803 -0.200 0.000 0.899 294 Q CB 1.218 29.836 28.738 -0.200 0.000 1.235 294 Q HN 0.115 nan 8.270 nan 0.000 0.457 295 P HA -0.221 nan 4.420 nan 0.000 0.215 295 P C 0.534 177.693 177.300 -0.235 0.000 1.163 295 P CA 1.344 64.286 63.100 -0.262 0.000 0.894 295 P CB -0.011 31.505 31.700 -0.307 0.000 0.791 296 W N 0.769 122.046 121.300 -0.037 0.000 2.513 296 W HA -0.147 4.513 4.660 -0.000 0.000 0.268 296 W C 1.564 178.116 176.519 0.056 0.000 1.195 296 W CA 1.288 58.659 57.345 0.045 0.000 1.159 296 W CB -0.870 28.666 29.460 0.127 0.000 1.142 296 W HN 0.395 nan 8.180 nan 0.000 0.595 297 H N -3.170 115.948 119.070 0.079 0.000 3.237 297 H HA 0.295 4.851 4.556 -0.000 0.000 0.224 297 H C -0.137 175.190 175.328 -0.001 0.000 1.370 297 H CA -0.301 55.760 56.048 0.022 0.000 1.112 297 H CB -0.604 29.134 29.762 -0.038 0.000 2.482 297 H HN 0.232 nan 8.280 nan 0.000 0.561 298 L N 0.690 121.842 121.223 -0.120 0.000 3.573 298 L HA 0.196 4.536 4.340 -0.000 0.000 0.335 298 L C 1.279 178.117 176.870 -0.053 0.000 1.321 298 L CA 0.016 54.794 54.840 -0.104 0.000 1.009 298 L CB 0.804 42.728 42.059 -0.225 0.000 1.417 298 L HN 0.136 nan 8.230 nan 0.000 0.619 299 E N 1.042 121.222 120.200 -0.033 0.000 2.077 299 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 299 E C 1.699 178.300 176.600 0.002 0.000 0.989 299 E CA 1.157 57.537 56.400 -0.034 0.000 0.800 299 E CB 0.151 29.839 29.700 -0.021 0.000 0.746 299 E HN 0.298 nan 8.360 nan 0.000 0.452 300 K N 0.479 120.897 120.400 0.031 0.000 2.442 300 K HA -0.083 4.237 4.320 -0.000 0.000 0.198 300 K C 1.631 178.268 176.600 0.061 0.000 1.042 300 K CA 1.149 57.460 56.287 0.041 0.000 0.958 300 K CB 0.189 32.714 32.500 0.041 0.000 0.766 300 K HN -0.027 nan 8.250 nan 0.000 0.474 301 T N -0.079 114.518 114.554 0.071 0.000 3.021 301 T HA 0.004 4.354 4.350 -0.000 0.000 0.245 301 T C 1.473 176.205 174.700 0.055 0.000 1.028 301 T CA 0.468 62.635 62.100 0.111 0.000 1.139 301 T CB 0.054 69.014 68.868 0.154 0.000 0.884 301 T HN 0.219 nan 8.240 nan 0.000 0.457 302 K N 1.618 122.019 120.400 0.002 0.000 2.032 302 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 302 K C 2.256 178.836 176.600 -0.032 0.000 1.048 302 K CA 1.498 57.766 56.287 -0.031 0.000 0.927 302 K CB -0.090 32.374 32.500 -0.060 0.000 0.712 302 K HN 0.160 nan 8.250 nan 0.000 0.441 303 K N 0.046 120.440 120.400 -0.010 0.000 1.977 303 K HA -0.235 4.085 4.320 -0.000 0.000 0.218 303 K C 2.063 178.646 176.600 -0.029 0.000 1.051 303 K CA 2.079 58.360 56.287 -0.010 0.000 0.953 303 K CB -0.486 32.023 32.500 0.017 0.000 0.727 303 K HN 0.158 nan 8.250 nan 0.000 0.445 304 F N 1.503 121.368 119.950 -0.141 0.000 2.115 304 F HA -0.273 4.254 4.527 -0.000 0.000 0.300 304 F C 1.887 177.481 175.800 -0.342 0.000 1.092 304 F CA 1.674 59.544 58.000 -0.217 0.000 1.245 304 F CB -0.412 38.439 39.000 -0.249 0.000 0.995 304 F HN -0.090 nan 8.300 nan 0.000 0.481 305 V N 0.524 120.234 119.914 -0.339 0.000 2.261 305 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 305 V C 2.313 178.220 176.094 -0.311 0.000 1.047 305 V CA 2.452 64.442 62.300 -0.517 0.000 1.015 305 V CB -0.717 30.952 31.823 -0.257 0.000 0.642 305 V HN 0.377 nan 8.190 nan 0.000 0.446 306 E N 0.128 120.236 120.200 -0.154 0.000 2.047 306 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 306 E C 2.331 178.870 176.600 -0.103 0.000 0.987 306 E CA 1.176 57.539 56.400 -0.062 0.000 0.799 306 E CB -0.529 29.151 29.700 -0.032 0.000 0.752 306 E HN 0.637 nan 8.360 nan 0.000 0.449 307 G N 0.479 109.180 108.800 -0.165 0.000 2.418 307 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 307 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 307 G C 1.571 176.337 174.900 -0.223 0.000 1.158 307 G CA 1.455 46.456 45.100 -0.165 0.000 0.771 307 G HN 0.181 nan 8.290 nan 0.000 0.545 308 T N -0.709 113.577 114.554 -0.448 0.000 3.115 308 T HA 0.027 4.377 4.350 -0.000 0.000 0.235 308 T C 1.910 176.547 174.700 -0.104 0.000 0.999 308 T CA 0.463 62.325 62.100 -0.396 0.000 1.276 308 T CB -0.210 68.137 68.868 -0.869 0.000 0.967 308 T HN 0.321 nan 8.240 nan 0.000 0.420 309 W N 2.367 123.432 121.300 -0.392 0.000 2.359 309 W HA 0.072 4.732 4.660 -0.000 0.000 0.275 309 W C 0.630 177.159 176.519 0.017 0.000 1.217 309 W CA 0.428 57.642 57.345 -0.217 0.000 1.196 309 W CB -0.694 28.469 29.460 -0.495 0.000 1.129 309 W HN 0.284 nan 8.180 nan 0.000 0.566 310 K N -0.360 120.145 120.400 0.175 0.000 3.125 310 K HA -0.232 4.088 4.320 -0.000 0.000 0.268 310 K C -0.330 176.451 176.600 0.302 0.000 1.078 310 K CA 0.797 57.187 56.287 0.171 0.000 0.775 310 K CB -2.472 30.103 32.500 0.125 0.000 1.253 310 K HN 0.449 nan 8.250 nan 0.000 0.486 311 H N 0.405 119.533 119.070 0.098 0.000 2.483 311 H HA 0.245 4.801 4.556 -0.000 0.000 0.338 311 H C 0.222 175.579 175.328 0.048 0.000 1.152 311 H CA -0.720 55.385 56.048 0.096 0.000 1.264 311 H CB 1.136 30.998 29.762 0.167 0.000 1.510 311 H HN 0.057 nan 8.280 nan 0.000 0.530 312 E N 2.355 122.640 120.200 0.141 0.000 2.069 312 E HA 0.124 4.474 4.350 -0.000 0.000 0.254 312 E C -0.582 176.057 176.600 0.065 0.000 1.088 312 E CA -0.416 56.025 56.400 0.070 0.000 1.017 312 E CB 0.680 30.397 29.700 0.027 0.000 1.226 312 E HN 0.240 nan 8.360 nan 0.000 0.458 313 V N 5.251 125.210 119.914 0.075 0.000 2.540 313 V HA 0.003 4.123 4.120 -0.000 0.000 0.297 313 V C -1.290 174.808 176.094 0.006 0.000 1.024 313 V CA -0.824 61.507 62.300 0.052 0.000 1.105 313 V CB -0.208 31.635 31.823 0.033 0.000 0.938 313 V HN 0.495 nan 8.190 nan 0.000 0.482 314 P HA 0.145 nan 4.420 nan 0.000 0.274 314 P C -0.624 176.646 177.300 -0.050 0.000 1.256 314 P CA -0.667 62.417 63.100 -0.025 0.000 0.795 314 P CB 0.878 32.562 31.700 -0.027 0.000 1.038 315 K N 1.827 122.191 120.400 -0.060 0.000 2.265 315 K HA 0.306 4.626 4.320 -0.000 0.000 0.242 315 K C -0.651 175.888 176.600 -0.101 0.000 1.137 315 K CA -0.286 55.947 56.287 -0.091 0.000 1.082 315 K CB -0.727 31.727 32.500 -0.075 0.000 1.731 315 K HN 0.416 nan 8.250 nan 0.000 0.392 316 L N 2.006 123.167 121.223 -0.104 0.000 2.334 316 L HA 0.408 4.748 4.340 -0.000 0.000 0.272 316 L C 0.203 176.958 176.870 -0.192 0.000 1.020 316 L CA -1.100 53.677 54.840 -0.105 0.000 0.812 316 L CB 1.601 43.665 42.059 0.009 0.000 1.264 316 L HN 0.434 nan 8.230 nan 0.000 0.439 317 N N 1.320 119.821 118.700 -0.332 0.000 2.477 317 N HA 0.367 5.106 4.740 -0.000 0.000 0.284 317 N C -0.426 174.954 175.510 -0.216 0.000 1.182 317 N CA -0.615 52.137 53.050 -0.497 0.000 0.949 317 N CB 2.346 39.945 38.487 -1.480 0.000 1.204 317 N HN 0.530 nan 8.380 nan 0.000 0.526 318 I N 3.050 123.574 120.570 -0.076 0.000 2.828 318 I HA -0.020 4.150 4.170 -0.000 0.000 0.292 318 I C -1.646 174.541 176.117 0.116 0.000 1.206 318 I CA -0.864 60.456 61.300 0.035 0.000 1.420 318 I CB 0.606 38.686 38.000 0.134 0.000 1.368 318 I HN 0.260 nan 8.210 nan 0.000 0.556 319 P HA 0.060 nan 4.420 nan 0.000 0.252 319 P C -1.062 176.231 177.300 -0.013 0.000 1.694 319 P CA 0.497 63.569 63.100 -0.045 0.000 1.163 319 P CB -0.140 31.283 31.700 -0.462 0.000 1.934 320 M N 1.426 121.107 119.600 0.134 0.000 2.464 320 M HA 0.627 5.107 4.480 -0.000 0.000 0.308 320 M C 0.468 176.691 176.300 -0.128 0.000 1.127 320 M CA -0.177 55.110 55.300 -0.022 0.000 0.913 320 M CB 2.718 35.334 32.600 0.028 0.000 1.689 320 M HN 0.340 nan 8.290 nan 0.000 0.445 321 G N 0.978 109.506 108.800 -0.453 0.000 2.758 321 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 321 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 321 G C -0.273 174.523 174.900 -0.174 0.000 1.389 321 G CA -0.298 44.437 45.100 -0.608 0.000 0.845 321 G HN 0.777 nan 8.290 nan 0.000 0.572 322 L N 0.455 121.654 121.223 -0.040 0.000 1.944 322 L HA -0.005 4.335 4.340 -0.000 0.000 0.218 322 L C 2.512 179.458 176.870 0.127 0.000 1.075 322 L CA 3.145 58.016 54.840 0.053 0.000 0.767 322 L CB -1.002 41.079 42.059 0.037 0.000 0.890 322 L HN 0.745 nan 8.230 nan 0.000 0.434 323 D N -0.862 119.576 120.400 0.063 0.000 2.205 323 D HA -0.274 4.366 4.640 -0.000 0.000 0.190 323 D C 2.018 178.477 176.300 0.265 0.000 1.002 323 D CA 2.063 56.126 54.000 0.105 0.000 0.848 323 D CB -0.576 40.225 40.800 0.002 0.000 0.975 323 D HN 0.462 nan 8.370 nan 0.000 0.449 324 W N 1.210 122.572 121.300 0.104 0.000 2.318 324 W HA -0.138 4.522 4.660 -0.000 0.000 0.313 324 W C 2.698 179.287 176.519 0.117 0.000 1.221 324 W CA 1.111 58.516 57.345 0.099 0.000 1.266 324 W CB -1.662 27.843 29.460 0.075 0.000 1.150 324 W HN 0.014 nan 8.180 nan 0.000 0.496 325 T N 0.324 115.070 114.554 0.319 0.000 2.778 325 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 325 T C 1.218 176.058 174.700 0.234 0.000 1.050 325 T CA 1.885 64.095 62.100 0.184 0.000 1.137 325 T CB -0.361 68.535 68.868 0.046 0.000 0.860 325 T HN 0.067 nan 8.240 nan 0.000 0.468 326 D N 1.168 121.754 120.400 0.310 0.000 2.077 326 D HA -0.074 4.566 4.640 -0.000 0.000 0.193 326 D C 2.215 178.639 176.300 0.208 0.000 0.989 326 D CA 1.065 55.228 54.000 0.272 0.000 0.831 326 D CB -0.406 40.536 40.800 0.237 0.000 0.979 326 D HN 0.477 nan 8.370 nan 0.000 0.449 327 E N -0.143 120.188 120.200 0.219 0.000 2.136 327 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 327 E C 1.970 178.652 176.600 0.138 0.000 1.019 327 E CA 0.897 57.395 56.400 0.165 0.000 0.819 327 E CB -0.274 29.535 29.700 0.182 0.000 0.739 327 E HN 0.235 nan 8.360 nan 0.000 0.458 328 F N 1.245 121.219 119.950 0.040 0.000 2.051 328 F HA -0.204 4.323 4.527 -0.000 0.000 0.296 328 F C 1.996 177.786 175.800 -0.017 0.000 1.122 328 F CA 1.458 59.456 58.000 -0.005 0.000 1.201 328 F CB -0.339 38.647 39.000 -0.024 0.000 0.978 328 F HN -0.095 nan 8.300 nan 0.000 0.472 329 L N -0.164 121.104 121.223 0.075 0.000 2.013 329 L HA -0.330 4.010 4.340 -0.000 0.000 0.212 329 L C 2.603 179.402 176.870 -0.118 0.000 1.073 329 L CA 1.922 56.723 54.840 -0.065 0.000 0.753 329 L CB -0.857 41.227 42.059 0.042 0.000 0.890 329 L HN 0.316 nan 8.230 nan 0.000 0.432 330 M N -0.371 119.206 119.600 -0.039 0.000 2.084 330 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 330 M C 2.407 178.653 176.300 -0.089 0.000 1.072 330 M CA 1.818 57.097 55.300 -0.035 0.000 1.107 330 M CB -0.584 32.023 32.600 0.012 0.000 1.299 330 M HN 0.007 nan 8.290 nan 0.000 0.413 331 K N 0.593 120.927 120.400 -0.111 0.000 2.127 331 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 331 K C 1.548 178.034 176.600 -0.189 0.000 1.047 331 K CA 1.464 57.672 56.287 -0.133 0.000 0.927 331 K CB -0.689 31.731 32.500 -0.133 0.000 0.716 331 K HN 0.200 nan 8.250 nan 0.000 0.450 332 V N -0.077 119.647 119.914 -0.316 0.000 2.295 332 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 332 V C 2.350 178.346 176.094 -0.163 0.000 1.049 332 V CA 1.965 64.076 62.300 -0.315 0.000 1.024 332 V CB -0.679 30.853 31.823 -0.485 0.000 0.648 332 V HN 0.524 nan 8.190 nan 0.000 0.447 333 S N -0.360 115.263 115.700 -0.128 0.000 2.398 333 S HA -0.342 4.128 4.470 -0.000 0.000 0.220 333 S C 2.092 176.656 174.600 -0.059 0.000 1.038 333 S CA 2.321 60.480 58.200 -0.069 0.000 1.080 333 S CB -0.556 62.618 63.200 -0.044 0.000 1.039 333 S HN 0.683 nan 8.310 nan 0.000 0.419 334 E N 0.146 120.312 120.200 -0.055 0.000 2.196 334 E HA -0.263 4.087 4.350 -0.000 0.000 0.222 334 E C 1.984 178.557 176.600 -0.046 0.000 1.072 334 E CA 2.240 58.614 56.400 -0.044 0.000 0.902 334 E CB -0.442 29.232 29.700 -0.043 0.000 0.780 334 E HN 0.728 nan 8.360 nan 0.000 0.467 335 I N 0.429 120.963 120.570 -0.060 0.000 2.133 335 I HA -0.263 3.907 4.170 -0.000 0.000 0.238 335 I C 2.817 178.907 176.117 -0.044 0.000 1.074 335 I CA 1.415 62.683 61.300 -0.054 0.000 1.342 335 I CB -0.506 37.457 38.000 -0.063 0.000 1.053 335 I HN 0.217 nan 8.210 nan 0.000 0.404 336 S N 0.611 116.284 115.700 -0.045 0.000 2.383 336 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 336 S C 1.798 176.384 174.600 -0.023 0.000 1.026 336 S CA 0.783 58.966 58.200 -0.029 0.000 0.981 336 S CB -0.337 62.849 63.200 -0.023 0.000 0.818 336 S HN 0.690 nan 8.310 nan 0.000 0.472 337 G N 0.563 109.347 108.800 -0.025 0.000 2.132 337 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.228 337 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.228 337 G C -0.323 174.570 174.900 -0.013 0.000 1.000 337 G CA -0.026 45.062 45.100 -0.018 0.000 0.693 337 G HN 0.541 nan 8.290 nan 0.000 0.515 338 Q N 0.597 120.390 119.800 -0.013 0.000 2.293 338 Q HA 0.453 4.793 4.340 -0.000 0.000 0.261 338 Q C -2.216 173.781 176.000 -0.004 0.000 0.960 338 Q CA -1.822 53.977 55.803 -0.005 0.000 0.882 338 Q CB 2.549 31.287 28.738 -0.000 0.000 1.275 338 Q HN 0.386 nan 8.270 nan 0.000 0.445 339 P HA 0.174 nan 4.420 nan 0.000 0.272 339 P C -0.113 177.195 177.300 0.012 0.000 1.230 339 P CA -0.247 62.857 63.100 0.006 0.000 0.788 339 P CB 1.021 32.727 31.700 0.009 0.000 0.949 340 I N 3.957 124.538 120.570 0.019 0.000 2.494 340 I HA 0.076 4.245 4.170 -0.000 0.000 0.289 340 I C -1.316 174.823 176.117 0.037 0.000 1.106 340 I CA -1.716 59.603 61.300 0.031 0.000 1.369 340 I CB 0.168 38.195 38.000 0.045 0.000 1.410 340 I HN 0.219 nan 8.210 nan 0.000 0.523 341 P HA 0.004 nan 4.420 nan 0.000 0.266 341 P C 0.581 177.908 177.300 0.044 0.000 1.195 341 P CA -0.134 62.987 63.100 0.036 0.000 0.768 341 P CB 1.114 32.834 31.700 0.035 0.000 0.838 342 A N 3.547 126.389 122.820 0.037 0.000 1.940 342 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 342 A C 2.316 179.928 177.584 0.045 0.000 1.190 342 A CA 2.476 54.535 52.037 0.037 0.000 0.647 342 A CB -1.655 17.362 19.000 0.028 0.000 0.821 342 A HN 0.635 nan 8.150 nan 0.000 0.457 343 S N 0.118 115.845 115.700 0.045 0.000 2.389 343 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 343 S C 1.809 176.453 174.600 0.074 0.000 1.048 343 S CA 1.825 60.055 58.200 0.050 0.000 1.117 343 S CB -0.742 62.486 63.200 0.046 0.000 1.020 343 S HN 0.534 nan 8.310 nan 0.000 0.430 344 L N 1.040 122.317 121.223 0.091 0.000 2.131 344 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 344 L C 2.698 179.677 176.870 0.182 0.000 1.092 344 L CA 1.262 56.195 54.840 0.154 0.000 0.759 344 L CB -1.274 40.865 42.059 0.134 0.000 0.903 344 L HN 0.374 nan 8.230 nan 0.000 0.435 345 T N -0.644 113.980 114.554 0.116 0.000 2.803 345 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 345 T C 1.936 176.667 174.700 0.052 0.000 1.052 345 T CA 1.497 63.650 62.100 0.087 0.000 1.136 345 T CB -0.044 68.858 68.868 0.057 0.000 0.864 345 T HN 0.261 nan 8.240 nan 0.000 0.467 346 K N 0.725 121.156 120.400 0.052 0.000 2.021 346 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 346 K C 2.405 179.019 176.600 0.024 0.000 1.047 346 K CA 0.958 57.262 56.287 0.029 0.000 0.943 346 K CB -0.051 32.467 32.500 0.030 0.000 0.725 346 K HN 0.305 nan 8.250 nan 0.000 0.439 347 E N 0.818 121.059 120.200 0.068 0.000 2.086 347 E HA -0.323 4.027 4.350 -0.000 0.000 0.200 347 E C 2.092 178.680 176.600 -0.020 0.000 1.012 347 E CA 1.631 58.081 56.400 0.083 0.000 0.812 347 E CB -0.035 29.784 29.700 0.198 0.000 0.743 347 E HN 0.197 nan 8.360 nan 0.000 0.453 348 R N -0.332 120.108 120.500 -0.100 0.000 2.113 348 R HA -0.175 4.165 4.340 -0.000 0.000 0.231 348 R C 2.481 178.622 176.300 -0.265 0.000 1.129 348 R CA 2.096 57.888 56.100 -0.513 0.000 0.915 348 R CB -1.027 29.020 30.300 -0.420 0.000 0.837 348 R HN 0.302 nan 8.270 nan 0.000 0.430 349 G N 0.618 109.338 108.800 -0.132 0.000 2.656 349 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.223 349 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.223 349 G C 1.487 176.345 174.900 -0.070 0.000 1.130 349 G CA 1.459 46.510 45.100 -0.081 0.000 0.758 349 G HN 0.423 nan 8.290 nan 0.000 0.608 350 R N -0.566 119.898 120.500 -0.060 0.000 2.066 350 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 350 R C 2.521 178.794 176.300 -0.045 0.000 1.131 350 R CA 1.183 57.262 56.100 -0.035 0.000 0.955 350 R CB -0.658 29.633 30.300 -0.014 0.000 0.851 350 R HN 0.396 nan 8.270 nan 0.000 0.432 351 L N 1.084 122.255 121.223 -0.088 0.000 2.081 351 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 351 L C 1.974 178.815 176.870 -0.049 0.000 1.080 351 L CA 1.674 56.468 54.840 -0.077 0.000 0.754 351 L CB -0.374 41.576 42.059 -0.183 0.000 0.893 351 L HN -0.065 nan 8.230 nan 0.000 0.433 352 V N -0.044 119.823 119.914 -0.080 0.000 2.358 352 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 352 V C 2.342 178.422 176.094 -0.023 0.000 1.047 352 V CA 1.759 64.029 62.300 -0.050 0.000 1.035 352 V CB -0.761 31.023 31.823 -0.065 0.000 0.658 352 V HN 0.599 nan 8.190 nan 0.000 0.452 353 D N 0.021 120.409 120.400 -0.021 0.000 2.137 353 D HA -0.277 4.363 4.640 -0.000 0.000 0.189 353 D C 2.182 178.492 176.300 0.016 0.000 0.998 353 D CA 2.385 56.383 54.000 -0.003 0.000 0.839 353 D CB -0.228 40.571 40.800 -0.002 0.000 0.962 353 D HN 0.322 nan 8.370 nan 0.000 0.446 354 M N -0.732 118.881 119.600 0.020 0.000 2.204 354 M HA -0.307 4.173 4.480 -0.000 0.000 0.255 354 M C 2.529 178.863 176.300 0.056 0.000 1.073 354 M CA 2.005 57.329 55.300 0.040 0.000 1.084 354 M CB -0.454 32.172 32.600 0.043 0.000 1.289 354 M HN 0.216 nan 8.290 nan 0.000 0.419 355 M N -0.370 119.259 119.600 0.048 0.000 2.088 355 M HA -0.246 4.233 4.480 -0.000 0.000 0.256 355 M C 2.404 178.747 176.300 0.072 0.000 1.071 355 M CA 2.597 57.926 55.300 0.047 0.000 1.097 355 M CB -0.886 31.725 32.600 0.018 0.000 1.315 355 M HN 0.578 nan 8.290 nan 0.000 0.406 356 T N -2.471 112.106 114.554 0.039 0.000 2.821 356 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 356 T C 1.375 176.188 174.700 0.187 0.000 1.046 356 T CA 1.665 63.796 62.100 0.052 0.000 1.139 356 T CB -0.525 68.333 68.868 -0.017 0.000 0.871 356 T HN 0.230 nan 8.240 nan 0.000 0.454 357 D N 2.136 122.603 120.400 0.112 0.000 2.182 357 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 357 D C 1.434 177.804 176.300 0.117 0.000 0.986 357 D CA 1.682 55.742 54.000 0.101 0.000 0.847 357 D CB -0.160 40.681 40.800 0.068 0.000 0.942 357 D HN 0.695 nan 8.370 nan 0.000 0.467 358 S N -0.663 115.121 115.700 0.141 0.000 2.825 358 S HA 0.083 4.553 4.470 -0.000 0.000 0.242 358 S C 1.068 175.727 174.600 0.099 0.000 0.980 358 S CA -0.765 57.510 58.200 0.125 0.000 1.107 358 S CB -0.415 62.883 63.200 0.163 0.000 1.172 358 S HN 0.330 nan 8.310 nan 0.000 0.483 359 H N 1.505 120.583 119.070 0.014 0.000 2.333 359 H HA -0.078 4.478 4.556 -0.000 0.000 0.302 359 H C 2.042 177.376 175.328 0.010 0.000 1.075 359 H CA 1.889 57.940 56.048 0.004 0.000 1.348 359 H CB -1.682 28.065 29.762 -0.025 0.000 1.393 359 H HN 0.518 nan 8.280 nan 0.000 0.509 360 T N -1.065 112.888 114.554 -1.001 0.000 2.701 360 T HA -0.308 4.042 4.350 -0.000 0.000 0.265 360 T C 1.945 176.401 174.700 -0.407 0.000 1.032 360 T CA 2.051 63.695 62.100 -0.759 0.000 1.158 360 T CB -1.175 67.164 68.868 -0.881 0.000 0.854 360 T HN 0.600 nan 8.240 nan 0.000 0.463 361 W N 0.823 122.050 121.300 -0.122 0.000 2.453 361 W HA 0.396 5.056 4.660 -0.000 0.000 0.289 361 W C 2.422 178.954 176.519 0.020 0.000 1.215 361 W CA -0.389 56.936 57.345 -0.034 0.000 1.297 361 W CB -0.131 29.311 29.460 -0.030 0.000 1.113 361 W HN 0.198 nan 8.180 nan 0.000 0.551 362 L N -0.819 120.550 121.223 0.243 0.000 2.209 362 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 362 L C 1.520 178.474 176.870 0.141 0.000 1.094 362 L CA 0.332 55.284 54.840 0.187 0.000 0.790 362 L CB -0.921 41.203 42.059 0.109 0.000 0.932 362 L HN -0.027 nan 8.230 nan 0.000 0.447 363 H N 1.594 120.678 119.070 0.023 0.000 3.125 363 H HA -0.026 4.530 4.556 -0.000 0.000 0.310 363 H C 0.715 176.066 175.328 0.040 0.000 0.980 363 H CA 1.023 57.072 56.048 0.001 0.000 1.422 363 H CB 0.453 30.226 29.762 0.017 0.000 1.432 363 H HN 0.360 nan 8.280 nan 0.000 0.577 364 G N 5.237 113.781 108.800 -0.427 0.000 2.298 364 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.287 364 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.287 364 G C -0.318 174.543 174.900 -0.065 0.000 1.075 364 G CA 0.053 45.028 45.100 -0.209 0.000 0.960 364 G HN 0.586 nan 8.290 nan 0.000 0.502 365 K N 0.349 120.711 120.400 -0.064 0.000 2.394 365 K HA 0.320 4.640 4.320 -0.000 0.000 0.260 365 K C 0.648 177.076 176.600 -0.287 0.000 0.967 365 K CA -0.753 55.438 56.287 -0.160 0.000 0.855 365 K CB 1.318 33.750 32.500 -0.115 0.000 1.101 365 K HN 0.466 nan 8.250 nan 0.000 0.433 366 R N 2.569 122.886 120.500 -0.305 0.000 2.316 366 R HA 0.306 4.646 4.340 -0.000 0.000 0.314 366 R C -0.301 175.771 176.300 -0.379 0.000 1.069 366 R CA 0.066 56.024 56.100 -0.237 0.000 0.959 366 R CB 0.140 30.340 30.300 -0.166 0.000 0.987 366 R HN 0.274 nan 8.270 nan 0.000 0.446 367 F N 0.713 120.684 119.950 0.035 0.000 2.579 367 F HA 0.648 5.175 4.527 -0.000 0.000 0.324 367 F C 0.114 175.964 175.800 0.084 0.000 1.058 367 F CA -0.998 57.057 58.000 0.091 0.000 0.944 367 F CB 2.012 41.062 39.000 0.083 0.000 1.245 367 F HN 0.469 nan 8.300 nan 0.000 0.477 368 A N 2.811 125.860 122.820 0.381 0.000 2.343 368 A HA 0.866 5.186 4.320 -0.000 0.000 0.308 368 A C -1.449 176.380 177.584 0.408 0.000 1.092 368 A CA -0.515 51.745 52.037 0.371 0.000 0.751 368 A CB 0.907 20.145 19.000 0.396 0.000 1.203 368 A HN 0.763 nan 8.150 nan 0.000 0.452 369 L N -0.876 120.579 121.223 0.387 0.000 2.322 369 L HA 1.124 5.464 4.340 -0.000 0.000 0.252 369 L C -0.810 176.363 176.870 0.504 0.000 1.055 369 L CA -0.799 54.243 54.840 0.337 0.000 0.849 369 L CB 1.205 43.329 42.059 0.109 0.000 1.446 369 L HN 1.122 nan 8.230 nan 0.000 0.416 370 W N -1.072 120.333 121.300 0.175 0.000 3.064 370 W HA 0.844 5.504 4.660 -0.000 0.000 0.328 370 W C -0.522 176.156 176.519 0.265 0.000 1.210 370 W CA -0.066 57.398 57.345 0.198 0.000 1.178 370 W CB 0.197 29.762 29.460 0.177 0.000 1.416 370 W HN 1.162 nan 8.180 nan 0.000 0.568 371 G N 0.446 109.517 108.800 0.452 0.000 2.564 371 G HA2 0.227 4.187 3.960 -0.000 0.000 0.139 371 G HA3 0.227 4.187 3.960 -0.000 0.000 0.139 371 G C -1.572 173.507 174.900 0.299 0.000 1.147 371 G CA -0.320 45.017 45.100 0.394 0.000 1.031 371 G HN 0.646 nan 8.290 nan 0.000 0.482 372 D N 1.075 121.636 120.400 0.269 0.000 2.332 372 D HA 0.491 5.131 4.640 -0.000 0.000 0.252 372 D C -1.448 174.832 176.300 -0.033 0.000 1.050 372 D CA -1.281 52.747 54.000 0.046 0.000 0.970 372 D CB 1.900 42.691 40.800 -0.014 0.000 1.141 372 D HN -0.078 nan 8.370 nan 0.000 0.485 373 P HA -0.193 nan 4.420 nan 0.000 0.209 373 P C 0.398 177.742 177.300 0.074 0.000 1.167 373 P CA 1.622 64.387 63.100 -0.559 0.000 0.941 373 P CB 0.209 31.529 31.700 -0.633 0.000 0.787 374 D N -1.774 118.769 120.400 0.238 0.000 2.092 374 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 374 D C 1.684 178.180 176.300 0.326 0.000 0.994 374 D CA 0.976 55.192 54.000 0.360 0.000 0.828 374 D CB -0.905 40.094 40.800 0.332 0.000 0.963 374 D HN 0.066 nan 8.370 nan 0.000 0.450 375 F N 1.534 121.562 119.950 0.130 0.000 2.043 375 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 375 F C 2.133 178.014 175.800 0.136 0.000 1.121 375 F CA 1.184 59.234 58.000 0.083 0.000 1.199 375 F CB -0.767 38.233 39.000 -0.000 0.000 0.968 375 F HN -0.156 nan 8.300 nan 0.000 0.478 376 V N 2.237 122.119 119.914 -0.053 0.000 2.252 376 V HA -0.426 3.694 4.120 -0.000 0.000 0.249 376 V C 2.689 178.824 176.094 0.068 0.000 1.056 376 V CA 2.736 64.995 62.300 -0.068 0.000 1.022 376 V CB -1.013 30.959 31.823 0.247 0.000 0.641 376 V HN 0.668 nan 8.190 nan 0.000 0.445 377 M N 0.670 120.455 119.600 0.309 0.000 2.159 377 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 377 M C 2.004 178.470 176.300 0.275 0.000 1.063 377 M CA 2.527 58.001 55.300 0.289 0.000 1.110 377 M CB -1.027 31.796 32.600 0.372 0.000 1.374 377 M HN 0.231 nan 8.290 nan 0.000 0.411 378 G N 1.050 110.029 108.800 0.298 0.000 2.408 378 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 378 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 378 G C 1.367 176.253 174.900 -0.022 0.000 1.150 378 G CA 0.606 45.864 45.100 0.263 0.000 0.776 378 G HN 0.394 nan 8.290 nan 0.000 0.542 379 L N 0.788 121.921 121.223 -0.149 0.000 2.046 379 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 379 L C 3.020 179.810 176.870 -0.134 0.000 1.077 379 L CA 1.163 55.876 54.840 -0.211 0.000 0.747 379 L CB -0.474 41.296 42.059 -0.481 0.000 0.896 379 L HN 0.105 nan 8.230 nan 0.000 0.432 380 V N -0.399 119.454 119.914 -0.103 0.000 2.237 380 V HA -0.318 3.802 4.120 -0.000 0.000 0.245 380 V C 2.579 178.599 176.094 -0.123 0.000 1.046 380 V CA 1.984 64.236 62.300 -0.080 0.000 1.007 380 V CB -0.744 31.062 31.823 -0.029 0.000 0.638 380 V HN 0.432 nan 8.190 nan 0.000 0.445 381 K N 0.292 120.578 120.400 -0.190 0.000 2.034 381 K HA -0.259 4.061 4.320 -0.000 0.000 0.214 381 K C 1.967 178.417 176.600 -0.249 0.000 1.051 381 K CA 2.116 58.175 56.287 -0.380 0.000 0.931 381 K CB -0.772 31.082 32.500 -1.077 0.000 0.715 381 K HN 0.312 nan 8.250 nan 0.000 0.446 382 F N 0.903 120.641 119.950 -0.354 0.000 2.134 382 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 382 F C 1.694 177.366 175.800 -0.213 0.000 1.097 382 F CA 1.323 59.166 58.000 -0.262 0.000 1.264 382 F CB -0.501 38.374 39.000 -0.208 0.000 1.001 382 F HN 0.034 nan 8.300 nan 0.000 0.479 383 L N -0.419 120.611 121.223 -0.321 0.000 2.079 383 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 383 L C 2.446 179.128 176.870 -0.312 0.000 1.081 383 L CA 1.125 55.727 54.840 -0.397 0.000 0.752 383 L CB -0.667 41.227 42.059 -0.274 0.000 0.896 383 L HN 0.181 nan 8.230 nan 0.000 0.433 384 L N -0.852 120.243 121.223 -0.214 0.000 2.156 384 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 384 L C 2.345 179.094 176.870 -0.201 0.000 1.095 384 L CA 1.047 55.795 54.840 -0.153 0.000 0.770 384 L CB -0.548 41.472 42.059 -0.064 0.000 0.914 384 L HN 0.318 nan 8.230 nan 0.000 0.439 385 E N 0.302 120.378 120.200 -0.207 0.000 2.338 385 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 385 E C 2.067 178.520 176.600 -0.246 0.000 1.007 385 E CA 0.765 57.070 56.400 -0.159 0.000 0.849 385 E CB 0.028 29.706 29.700 -0.037 0.000 0.774 385 E HN 0.548 nan 8.360 nan 0.000 0.506 386 L N -0.674 120.315 121.223 -0.390 0.000 2.477 386 L HA 0.187 4.527 4.340 -0.000 0.000 0.220 386 L C 1.278 177.929 176.870 -0.366 0.000 1.106 386 L CA 0.408 55.024 54.840 -0.373 0.000 0.851 386 L CB 0.307 42.071 42.059 -0.491 0.000 0.994 386 L HN 0.249 nan 8.230 nan 0.000 0.462 387 G N -0.217 108.233 108.800 -0.583 0.000 2.167 387 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.194 387 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.194 387 G C -0.076 174.416 174.900 -0.680 0.000 1.027 387 G CA -0.239 44.217 45.100 -1.072 0.000 0.717 387 G HN 0.258 nan 8.290 nan 0.000 0.501 388 C N -0.178 118.915 119.300 -0.345 0.000 2.407 388 C HA 0.753 5.213 4.460 -0.000 0.000 0.366 388 C C 0.476 175.491 174.990 0.042 0.000 1.213 388 C CA -0.722 58.274 59.018 -0.037 0.000 2.011 388 C CB 1.703 29.563 27.740 0.200 0.000 2.306 388 C HN 0.519 nan 8.230 nan 0.000 0.527 389 E N 2.107 122.375 120.200 0.114 0.000 2.256 389 E HA 0.178 4.528 4.350 -0.000 0.000 0.243 389 E C -2.358 174.310 176.600 0.113 0.000 0.925 389 E CA -1.410 55.049 56.400 0.098 0.000 0.748 389 E CB 0.803 30.532 29.700 0.048 0.000 1.206 389 E HN 0.440 nan 8.360 nan 0.000 0.428 390 P HA -0.087 nan 4.420 nan 0.000 0.252 390 P C 1.150 178.490 177.300 0.067 0.000 1.635 390 P CA 0.218 63.392 63.100 0.124 0.000 1.206 390 P CB 0.122 31.863 31.700 0.069 0.000 1.911 391 V N 0.254 120.163 119.914 -0.008 0.000 2.407 391 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 391 V C 0.670 176.660 176.094 -0.172 0.000 1.055 391 V CA 1.478 63.674 62.300 -0.173 0.000 1.049 391 V CB -1.245 30.334 31.823 -0.407 0.000 0.662 391 V HN 0.358 nan 8.190 nan 0.000 0.455 392 H N 0.899 120.085 119.070 0.193 0.000 2.645 392 H HA 0.521 5.077 4.556 -0.000 0.000 0.257 392 H C -0.451 175.036 175.328 0.265 0.000 1.269 392 H CA -1.004 55.183 56.048 0.232 0.000 1.409 392 H CB 0.322 30.164 29.762 0.134 0.000 1.434 392 H HN 0.425 nan 8.280 nan 0.000 0.505 393 I N 3.991 124.804 120.570 0.404 0.000 2.294 393 I HA 0.097 4.267 4.170 -0.000 0.000 0.295 393 I C 0.365 176.757 176.117 0.459 0.000 1.098 393 I CA 0.092 61.608 61.300 0.360 0.000 1.277 393 I CB 0.586 38.731 38.000 0.242 0.000 1.434 393 I HN 0.224 nan 8.210 nan 0.000 0.498 394 L N 6.803 128.280 121.223 0.424 0.000 2.344 394 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 394 L C -0.709 176.401 176.870 0.400 0.000 1.035 394 L CA -0.365 54.698 54.840 0.372 0.000 0.807 394 L CB 2.020 44.194 42.059 0.191 0.000 1.237 394 L HN 0.770 nan 8.230 nan 0.000 0.442 395 C N 3.050 122.543 119.300 0.322 0.000 3.280 395 C HA 0.201 4.661 4.460 -0.000 0.000 0.334 395 C C 1.172 176.258 174.990 0.160 0.000 0.977 395 C CA -0.565 58.577 59.018 0.206 0.000 1.264 395 C CB -0.822 26.904 27.740 -0.022 0.000 1.688 395 C HN 1.109 nan 8.230 nan 0.000 0.592 396 H N 2.979 122.090 119.070 0.067 0.000 2.330 396 H HA -0.220 4.336 4.556 -0.000 0.000 0.290 396 H C 1.646 176.965 175.328 -0.015 0.000 1.111 396 H CA 2.522 58.586 56.048 0.027 0.000 1.226 396 H CB 0.434 30.218 29.762 0.036 0.000 1.355 396 H HN 0.838 nan 8.280 nan 0.000 0.485 397 N N 0.520 119.207 118.700 -0.022 0.000 2.383 397 N HA 0.069 4.809 4.740 -0.000 0.000 0.192 397 N C 0.537 175.930 175.510 -0.194 0.000 1.141 397 N CA 0.485 53.443 53.050 -0.153 0.000 0.851 397 N CB 0.050 38.420 38.487 -0.195 0.000 0.976 397 N HN 0.255 nan 8.380 nan 0.000 0.465 398 G N -0.166 108.499 108.800 -0.226 0.000 2.580 398 G HA2 0.393 4.353 3.960 -0.000 0.000 0.278 398 G HA3 0.393 4.353 3.960 -0.000 0.000 0.278 398 G C -0.234 174.640 174.900 -0.043 0.000 1.212 398 G CA -0.629 44.269 45.100 -0.338 0.000 0.939 398 G HN 0.590 nan 8.290 nan 0.000 0.513 399 N N -1.701 117.037 118.700 0.063 0.000 2.701 399 N HA 0.343 5.083 4.740 -0.000 0.000 0.290 399 N C 0.876 176.512 175.510 0.210 0.000 1.338 399 N CA -0.982 52.152 53.050 0.140 0.000 0.799 399 N CB 1.445 40.019 38.487 0.146 0.000 1.491 399 N HN 0.212 nan 8.380 nan 0.000 0.540 400 K N 0.196 120.692 120.400 0.161 0.000 2.026 400 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 400 K C 1.772 178.453 176.600 0.136 0.000 1.048 400 K CA 1.133 57.499 56.287 0.132 0.000 0.929 400 K CB -0.349 32.211 32.500 0.100 0.000 0.713 400 K HN 0.643 nan 8.250 nan 0.000 0.439 401 R N -0.699 119.918 120.500 0.196 0.000 2.105 401 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 401 R C 2.153 178.579 176.300 0.211 0.000 1.135 401 R CA 2.042 58.299 56.100 0.262 0.000 0.967 401 R CB -0.438 30.099 30.300 0.395 0.000 0.861 401 R HN 0.312 nan 8.270 nan 0.000 0.442 402 W N 1.371 122.545 121.300 -0.211 0.000 2.380 402 W HA -0.164 4.496 4.660 -0.000 0.000 0.317 402 W C 2.074 178.358 176.519 -0.392 0.000 1.196 402 W CA 1.771 58.624 57.345 -0.820 0.000 1.307 402 W CB -0.458 28.513 29.460 -0.815 0.000 1.157 402 W HN -0.036 nan 8.180 nan 0.000 0.483 403 K N 0.694 120.997 120.400 -0.162 0.000 2.107 403 K HA -0.303 4.017 4.320 -0.000 0.000 0.211 403 K C 2.014 178.427 176.600 -0.313 0.000 1.049 403 K CA 2.391 58.494 56.287 -0.307 0.000 0.927 403 K CB -0.300 32.187 32.500 -0.022 0.000 0.714 403 K HN 0.179 nan 8.250 nan 0.000 0.452 404 K N -0.193 120.108 120.400 -0.164 0.000 2.001 404 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 404 K C 2.272 178.792 176.600 -0.132 0.000 1.048 404 K CA 1.208 57.435 56.287 -0.100 0.000 0.932 404 K CB -0.258 32.239 32.500 -0.004 0.000 0.715 404 K HN 0.229 nan 8.250 nan 0.000 0.437 405 A N 1.347 124.085 122.820 -0.137 0.000 1.948 405 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 405 A C 2.430 179.900 177.584 -0.190 0.000 1.177 405 A CA 1.730 53.721 52.037 -0.076 0.000 0.636 405 A CB -0.820 18.226 19.000 0.076 0.000 0.815 405 A HN 0.090 nan 8.150 nan 0.000 0.449 406 V N 0.477 120.113 119.914 -0.464 0.000 2.270 406 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 406 V C 2.179 178.136 176.094 -0.227 0.000 1.043 406 V CA 2.206 64.246 62.300 -0.434 0.000 1.014 406 V CB -0.821 30.518 31.823 -0.805 0.000 0.645 406 V HN 0.538 nan 8.190 nan 0.000 0.447 407 D N 0.266 120.534 120.400 -0.221 0.000 2.190 407 D HA -0.188 4.452 4.640 -0.000 0.000 0.200 407 D C 2.157 178.413 176.300 -0.072 0.000 0.992 407 D CA 1.671 55.594 54.000 -0.128 0.000 0.854 407 D CB -0.034 40.697 40.800 -0.115 0.000 0.936 407 D HN 0.477 nan 8.370 nan 0.000 0.462 408 A N 0.755 123.541 122.820 -0.058 0.000 1.898 408 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 408 A C 2.329 179.922 177.584 0.015 0.000 1.181 408 A CA 0.699 52.730 52.037 -0.009 0.000 0.620 408 A CB -0.508 18.500 19.000 0.014 0.000 0.819 408 A HN 0.179 nan 8.150 nan 0.000 0.442 409 I N -0.560 120.021 120.570 0.018 0.000 2.353 409 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 409 I C 2.317 178.444 176.117 0.016 0.000 1.119 409 I CA 0.812 62.145 61.300 0.056 0.000 1.417 409 I CB -0.278 37.777 38.000 0.093 0.000 1.078 409 I HN 0.270 nan 8.210 nan 0.000 0.421 410 L N 0.608 121.820 121.223 -0.018 0.000 2.044 410 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 410 L C 2.842 179.706 176.870 -0.011 0.000 1.075 410 L CA 1.251 56.080 54.840 -0.019 0.000 0.747 410 L CB -0.655 41.380 42.059 -0.039 0.000 0.903 410 L HN 0.201 nan 8.230 nan 0.000 0.435 411 A N 0.026 122.836 122.820 -0.016 0.000 2.076 411 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 411 A C 2.166 179.748 177.584 -0.003 0.000 1.160 411 A CA 1.532 53.561 52.037 -0.014 0.000 0.653 411 A CB -0.583 18.408 19.000 -0.015 0.000 0.801 411 A HN 0.403 nan 8.150 nan 0.000 0.455 412 A N -1.037 121.789 122.820 0.011 0.000 2.276 412 A HA 0.457 4.777 4.320 -0.000 0.000 0.212 412 A C 0.834 178.431 177.584 0.021 0.000 1.230 412 A CA 0.789 52.839 52.037 0.021 0.000 0.844 412 A CB -0.435 18.590 19.000 0.042 0.000 0.860 412 A HN 0.587 nan 8.150 nan 0.000 0.486 413 S N -1.135 114.573 115.700 0.013 0.000 2.572 413 S HA 0.534 5.004 4.470 -0.000 0.000 0.274 413 S C -2.507 172.077 174.600 -0.026 0.000 1.150 413 S CA -1.037 57.177 58.200 0.025 0.000 0.944 413 S CB 1.572 64.816 63.200 0.074 0.000 1.071 413 S HN -0.027 nan 8.310 nan 0.000 0.479 414 P HA -0.075 nan 4.420 nan 0.000 0.217 414 P C 0.182 177.283 177.300 -0.331 0.000 1.148 414 P CA 1.231 64.174 63.100 -0.263 0.000 0.828 414 P CB -0.101 31.345 31.700 -0.423 0.000 0.783 415 Y N -1.246 119.030 120.300 -0.039 0.000 2.488 415 Y HA 0.276 4.826 4.550 -0.000 0.000 0.319 415 Y C 2.010 177.882 175.900 -0.046 0.000 1.212 415 Y CA 0.497 58.565 58.100 -0.054 0.000 1.273 415 Y CB -0.819 37.601 38.460 -0.067 0.000 1.074 415 Y HN -0.039 nan 8.280 nan 0.000 0.503 416 G N -1.084 107.730 108.800 0.023 0.000 3.596 416 G HA2 0.042 4.002 3.960 -0.000 0.000 0.274 416 G HA3 0.042 4.002 3.960 -0.000 0.000 0.274 416 G C 1.323 176.213 174.900 -0.017 0.000 1.007 416 G CA -0.291 44.816 45.100 0.011 0.000 0.825 416 G HN 0.193 nan 8.290 nan 0.000 0.508 417 K N 1.124 121.502 120.400 -0.036 0.000 2.009 417 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 417 K C 1.159 177.740 176.600 -0.031 0.000 1.049 417 K CA 1.108 57.370 56.287 -0.042 0.000 0.929 417 K CB -0.034 32.432 32.500 -0.057 0.000 0.714 417 K HN 0.163 nan 8.250 nan 0.000 0.440 418 N N 0.643 119.328 118.700 -0.026 0.000 2.313 418 N HA 0.072 4.812 4.740 -0.000 0.000 0.207 418 N C -0.287 175.213 175.510 -0.017 0.000 1.141 418 N CA 0.047 53.083 53.050 -0.023 0.000 0.830 418 N CB 0.516 38.985 38.487 -0.030 0.000 1.008 418 N HN 0.101 nan 8.380 nan 0.000 0.481 419 A N 0.723 123.537 122.820 -0.010 0.000 2.401 419 A HA 0.488 4.807 4.320 -0.000 0.000 0.259 419 A C 0.156 177.745 177.584 0.008 0.000 1.103 419 A CA 0.189 52.230 52.037 0.007 0.000 0.789 419 A CB 0.395 19.398 19.000 0.003 0.000 1.035 419 A HN 0.063 nan 8.150 nan 0.000 0.491 420 T N 2.046 116.639 114.554 0.064 0.000 2.879 420 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 420 T C -0.567 174.142 174.700 0.014 0.000 0.993 420 T CA -0.374 61.719 62.100 -0.012 0.000 0.975 420 T CB 1.308 70.197 68.868 0.035 0.000 0.981 420 T HN 0.450 nan 8.240 nan 0.000 0.439 421 V N 3.920 123.749 119.914 -0.141 0.000 2.472 421 V HA 0.574 4.694 4.120 -0.000 0.000 0.290 421 V C -1.168 174.881 176.094 -0.076 0.000 1.037 421 V CA -0.752 61.550 62.300 0.003 0.000 0.908 421 V CB 0.774 32.542 31.823 -0.091 0.000 0.985 421 V HN 0.791 nan 8.190 nan 0.000 0.454 422 Y N 4.386 124.791 120.300 0.176 0.000 2.442 422 Y HA 0.763 5.313 4.550 -0.000 0.000 0.344 422 Y C 0.062 176.075 175.900 0.187 0.000 0.976 422 Y CA -1.164 57.032 58.100 0.160 0.000 1.040 422 Y CB 1.766 40.313 38.460 0.146 0.000 1.228 422 Y HN 0.628 nan 8.280 nan 0.000 0.451 423 I N -1.437 119.306 120.570 0.289 0.000 2.785 423 I HA 0.907 5.077 4.170 -0.000 0.000 0.302 423 I C 0.733 176.941 176.117 0.151 0.000 1.069 423 I CA -0.851 60.589 61.300 0.234 0.000 1.045 423 I CB 2.321 40.463 38.000 0.236 0.000 1.236 423 I HN 0.715 nan 8.210 nan 0.000 0.429 424 G N 2.825 111.729 108.800 0.174 0.000 2.267 424 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 424 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 424 G C 0.275 175.178 174.900 0.004 0.000 0.998 424 G CA -0.005 45.205 45.100 0.183 0.000 0.620 424 G HN 0.635 nan 8.290 nan 0.000 0.529 425 K N 1.833 122.128 120.400 -0.175 0.000 2.154 425 K HA 0.505 4.825 4.320 -0.000 0.000 0.264 425 K C 0.465 176.794 176.600 -0.451 0.000 1.008 425 K CA 0.317 56.274 56.287 -0.550 0.000 0.937 425 K CB 1.173 33.275 32.500 -0.663 0.000 1.002 425 K HN 0.651 nan 8.250 nan 0.000 0.469 426 D N -0.593 119.724 120.400 -0.139 0.000 2.595 426 D HA 0.182 4.822 4.640 -0.000 0.000 0.268 426 D C 1.110 177.299 176.300 -0.185 0.000 1.181 426 D CA -0.677 53.132 54.000 -0.318 0.000 1.085 426 D CB 0.279 40.893 40.800 -0.309 0.000 1.186 426 D HN 0.240 nan 8.370 nan 0.000 0.621 427 L N -0.959 120.124 121.223 -0.234 0.000 2.376 427 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 427 L C 1.726 178.495 176.870 -0.167 0.000 1.133 427 L CA 0.395 55.064 54.840 -0.285 0.000 0.816 427 L CB -0.237 41.655 42.059 -0.278 0.000 0.933 427 L HN 0.499 nan 8.230 nan 0.000 0.449 428 W N 0.419 121.547 121.300 -0.287 0.000 2.518 428 W HA -0.110 4.550 4.660 -0.000 0.000 0.273 428 W C 2.091 178.433 176.519 -0.294 0.000 1.247 428 W CA 1.102 58.283 57.345 -0.273 0.000 1.288 428 W CB 0.031 29.301 29.460 -0.317 0.000 1.107 428 W HN 0.311 nan 8.180 nan 0.000 0.586 429 H N -0.051 118.876 119.070 -0.240 0.000 2.284 429 H HA -0.171 4.385 4.556 -0.000 0.000 0.304 429 H C 2.066 177.221 175.328 -0.287 0.000 1.069 429 H CA 2.033 57.860 56.048 -0.368 0.000 1.327 429 H CB -0.797 28.565 29.762 -0.666 0.000 1.387 429 H HN -0.030 nan 8.280 nan 0.000 0.498 430 L N 1.299 122.407 121.223 -0.192 0.000 2.089 430 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 430 L C 2.461 179.161 176.870 -0.283 0.000 1.079 430 L CA 1.597 56.276 54.840 -0.268 0.000 0.758 430 L CB -0.487 41.376 42.059 -0.326 0.000 0.891 430 L HN 0.171 nan 8.230 nan 0.000 0.433 431 R N -1.143 119.152 120.500 -0.342 0.000 2.103 431 R HA -0.197 4.143 4.340 -0.000 0.000 0.242 431 R C 2.131 178.272 176.300 -0.264 0.000 1.142 431 R CA 2.052 57.911 56.100 -0.401 0.000 0.960 431 R CB -0.275 29.622 30.300 -0.672 0.000 0.858 431 R HN 0.489 nan 8.270 nan 0.000 0.439 432 S N 0.948 116.533 115.700 -0.192 0.000 2.371 432 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 432 S C 1.941 176.516 174.600 -0.043 0.000 1.029 432 S CA 1.009 59.199 58.200 -0.016 0.000 0.978 432 S CB -0.192 63.023 63.200 0.026 0.000 0.833 432 S HN 0.290 nan 8.310 nan 0.000 0.466 433 L N 1.879 123.003 121.223 -0.165 0.000 2.129 433 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 433 L C 2.357 179.066 176.870 -0.268 0.000 1.087 433 L CA 1.072 55.683 54.840 -0.381 0.000 0.757 433 L CB -0.865 40.696 42.059 -0.830 0.000 0.896 433 L HN 0.351 nan 8.230 nan 0.000 0.434 434 V N -5.907 113.889 119.914 -0.196 0.000 3.306 434 V HA -0.046 4.074 4.120 -0.000 0.000 0.264 434 V C 1.948 177.964 176.094 -0.131 0.000 1.149 434 V CA 0.737 62.965 62.300 -0.120 0.000 1.143 434 V CB -0.542 31.158 31.823 -0.204 0.000 0.767 434 V HN 0.125 nan 8.190 nan 0.000 0.476 435 F N 2.367 122.260 119.950 -0.094 0.000 2.243 435 F HA 0.090 4.617 4.527 -0.000 0.000 0.287 435 F C 2.835 178.589 175.800 -0.077 0.000 1.067 435 F CA 1.750 59.683 58.000 -0.112 0.000 1.304 435 F CB -0.809 38.063 39.000 -0.214 0.000 1.087 435 F HN 0.294 nan 8.300 nan 0.000 0.513 436 T N -2.293 112.343 114.554 0.136 0.000 2.639 436 T HA -0.163 4.187 4.350 -0.000 0.000 0.261 436 T C 0.896 175.648 174.700 0.086 0.000 1.053 436 T CA 1.389 63.527 62.100 0.064 0.000 1.158 436 T CB -0.537 68.341 68.868 0.015 0.000 0.863 436 T HN 0.010 nan 8.240 nan 0.000 0.413 437 D N 1.528 122.000 120.400 0.121 0.000 2.540 437 D HA 0.238 4.878 4.640 -0.000 0.000 0.251 437 D C -0.421 176.010 176.300 0.219 0.000 1.159 437 D CA -0.519 53.583 54.000 0.171 0.000 0.974 437 D CB 0.088 41.036 40.800 0.248 0.000 0.996 437 D HN 0.424 nan 8.370 nan 0.000 0.512 438 K N 3.319 123.794 120.400 0.125 0.000 2.447 438 K HA 0.139 4.459 4.320 -0.000 0.000 0.281 438 K C -2.178 174.432 176.600 0.017 0.000 1.031 438 K CA -0.861 55.474 56.287 0.080 0.000 1.019 438 K CB 0.721 33.266 32.500 0.076 0.000 0.918 438 K HN 0.251 nan 8.250 nan 0.000 0.476 439 P HA 0.229 nan 4.420 nan 0.000 0.321 439 P C -0.653 176.533 177.300 -0.191 0.000 1.304 439 P CA -0.290 62.759 63.100 -0.085 0.000 0.759 439 P CB 0.872 32.572 31.700 -0.000 0.000 1.385 440 D N -2.024 118.177 120.400 -0.332 0.000 2.423 440 D HA 0.242 4.882 4.640 -0.000 0.000 0.208 440 D C -0.007 175.694 176.300 -0.999 0.000 1.068 440 D CA 0.939 54.570 54.000 -0.615 0.000 0.860 440 D CB 0.352 40.776 40.800 -0.627 0.000 0.992 440 D HN 0.228 nan 8.370 nan 0.000 0.504 441 F N -0.394 119.486 119.950 -0.117 0.000 2.741 441 F HA 0.404 4.931 4.527 -0.000 0.000 0.311 441 F C -0.756 175.170 175.800 0.210 0.000 1.149 441 F CA -0.923 57.119 58.000 0.070 0.000 0.930 441 F CB 1.275 40.387 39.000 0.186 0.000 1.312 441 F HN -0.430 nan 8.300 nan 0.000 0.450 442 M N 2.824 122.696 119.600 0.453 0.000 2.393 442 M HA 0.588 5.068 4.480 -0.000 0.000 0.316 442 M C -1.323 175.141 176.300 0.274 0.000 1.087 442 M CA -0.460 55.075 55.300 0.393 0.000 0.937 442 M CB 2.536 35.391 32.600 0.424 0.000 1.668 442 M HN 0.373 nan 8.290 nan 0.000 0.438 443 I N 2.380 123.032 120.570 0.136 0.000 2.405 443 I HA 0.696 4.866 4.170 -0.000 0.000 0.280 443 I C 0.149 176.029 176.117 -0.396 0.000 1.027 443 I CA -0.270 60.993 61.300 -0.062 0.000 1.161 443 I CB 1.300 39.253 38.000 -0.079 0.000 1.300 443 I HN 0.891 nan 8.210 nan 0.000 0.463 444 G N 4.328 112.758 108.800 -0.616 0.000 2.554 444 G HA2 0.256 4.216 3.960 -0.000 0.000 0.306 444 G HA3 0.256 4.216 3.960 -0.000 0.000 0.306 444 G C -1.286 173.245 174.900 -0.614 0.000 1.320 444 G CA -0.787 43.516 45.100 -1.328 0.000 0.800 444 G HN 0.555 nan 8.290 nan 0.000 0.481 445 N N -0.830 117.624 118.700 -0.409 0.000 2.285 445 N HA 0.240 4.980 4.740 -0.000 0.000 0.262 445 N C 1.317 176.827 175.510 0.000 0.000 1.299 445 N CA 0.477 53.456 53.050 -0.118 0.000 0.930 445 N CB 0.384 38.829 38.487 -0.069 0.000 1.157 445 N HN 0.241 nan 8.380 nan 0.000 0.532 446 S N -1.692 113.885 115.700 -0.205 0.000 2.419 446 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 446 S C 1.253 175.809 174.600 -0.075 0.000 1.019 446 S CA 0.734 58.809 58.200 -0.208 0.000 0.982 446 S CB -0.765 62.212 63.200 -0.373 0.000 0.789 446 S HN 0.492 nan 8.310 nan 0.000 0.490 447 Y N 1.604 122.022 120.300 0.195 0.000 2.365 447 Y HA -0.078 4.472 4.550 -0.000 0.000 0.287 447 Y C 2.453 178.552 175.900 0.332 0.000 1.162 447 Y CA 0.504 58.794 58.100 0.316 0.000 1.260 447 Y CB -0.979 37.672 38.460 0.317 0.000 0.976 447 Y HN 0.341 nan 8.280 nan 0.000 0.548 448 G N -0.021 109.087 108.800 0.513 0.000 2.813 448 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.209 448 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.209 448 G C 1.681 176.708 174.900 0.212 0.000 1.150 448 G CA 0.499 45.875 45.100 0.461 0.000 0.785 448 G HN 0.517 nan 8.290 nan 0.000 0.535 449 K N -0.234 120.164 120.400 -0.004 0.000 2.152 449 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 449 K C 1.760 178.247 176.600 -0.189 0.000 1.048 449 K CA 1.191 57.371 56.287 -0.179 0.000 0.933 449 K CB -0.460 31.810 32.500 -0.383 0.000 0.721 449 K HN 0.232 nan 8.250 nan 0.000 0.447 450 F N 1.500 121.527 119.950 0.129 0.000 2.039 450 F HA -0.073 4.454 4.527 -0.000 0.000 0.294 450 F C 2.197 178.044 175.800 0.078 0.000 1.130 450 F CA 0.700 58.765 58.000 0.109 0.000 1.189 450 F CB -0.842 38.240 39.000 0.136 0.000 0.983 450 F HN -0.138 nan 8.300 nan 0.000 0.471 451 I N 0.476 121.189 120.570 0.239 0.000 2.227 451 I HA -0.394 3.776 4.170 -0.000 0.000 0.250 451 I C 2.508 178.640 176.117 0.025 0.000 1.087 451 I CA 1.662 62.998 61.300 0.060 0.000 1.352 451 I CB -1.027 36.965 38.000 -0.014 0.000 1.043 451 I HN 0.289 nan 8.210 nan 0.000 0.425 452 Q N 0.384 120.224 119.800 0.067 0.000 2.020 452 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 452 Q C 2.504 178.548 176.000 0.074 0.000 0.982 452 Q CA 1.823 57.655 55.803 0.049 0.000 0.838 452 Q CB -0.218 28.552 28.738 0.053 0.000 0.899 452 Q HN 0.435 nan 8.270 nan 0.000 0.423 453 R N 0.094 120.656 120.500 0.103 0.000 2.113 453 R HA -0.237 4.103 4.340 -0.000 0.000 0.244 453 R C 1.345 177.756 176.300 0.185 0.000 1.142 453 R CA 2.380 58.558 56.100 0.130 0.000 0.953 453 R CB -0.316 30.082 30.300 0.165 0.000 0.860 453 R HN 0.394 nan 8.270 nan 0.000 0.438 454 D N -0.522 120.010 120.400 0.222 0.000 2.084 454 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 454 D C 1.955 178.494 176.300 0.398 0.000 0.990 454 D CA 2.322 56.545 54.000 0.371 0.000 0.826 454 D CB -0.575 40.426 40.800 0.335 0.000 0.971 454 D HN 0.492 nan 8.370 nan 0.000 0.453 455 T N -0.683 113.921 114.554 0.082 0.000 2.822 455 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 455 T C 1.843 176.693 174.700 0.251 0.000 1.064 455 T CA 0.930 63.046 62.100 0.027 0.000 1.131 455 T CB -0.393 68.400 68.868 -0.125 0.000 0.858 455 T HN 0.083 nan 8.240 nan 0.000 0.483 456 L N 0.570 121.926 121.223 0.220 0.000 2.095 456 L HA 0.171 4.511 4.340 -0.000 0.000 0.204 456 L C 2.435 179.470 176.870 0.275 0.000 1.080 456 L CA 1.710 56.679 54.840 0.215 0.000 0.759 456 L CB -1.091 41.054 42.059 0.142 0.000 0.914 456 L HN 0.331 nan 8.230 nan 0.000 0.439 457 H N 0.325 119.499 119.070 0.174 0.000 2.431 457 H HA -0.257 4.299 4.556 -0.000 0.000 0.297 457 H C 2.239 177.661 175.328 0.157 0.000 1.115 457 H CA 2.322 58.406 56.048 0.061 0.000 1.277 457 H CB 0.004 29.670 29.762 -0.161 0.000 1.372 457 H HN 0.423 nan 8.280 nan 0.000 0.516 458 K N -0.601 120.011 120.400 0.353 0.000 2.155 458 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 458 K C 0.096 176.876 176.600 0.300 0.000 1.052 458 K CA 0.897 57.345 56.287 0.267 0.000 0.948 458 K CB 0.225 32.853 32.500 0.214 0.000 0.728 458 K HN 0.431 nan 8.250 nan 0.000 0.448 459 G N 0.015 109.067 108.800 0.419 0.000 2.368 459 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.303 459 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.303 459 G C -0.800 174.249 174.900 0.247 0.000 1.590 459 G CA -0.412 44.938 45.100 0.415 0.000 0.938 459 G HN -0.035 nan 8.290 nan 0.000 0.675 460 K N 0.634 121.085 120.400 0.085 0.000 2.032 460 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 460 K C 2.367 178.909 176.600 -0.096 0.000 1.048 460 K CA 2.471 58.761 56.287 0.006 0.000 0.927 460 K CB -0.046 32.443 32.500 -0.019 0.000 0.712 460 K HN 0.656 nan 8.250 nan 0.000 0.441 461 E N -0.548 119.492 120.200 -0.266 0.000 2.463 461 E HA -0.182 4.168 4.350 -0.000 0.000 0.201 461 E C 0.938 177.181 176.600 -0.595 0.000 1.045 461 E CA 0.934 57.055 56.400 -0.465 0.000 0.872 461 E CB -0.208 29.122 29.700 -0.617 0.000 0.797 461 E HN 0.373 nan 8.360 nan 0.000 0.538 462 F N 1.286 121.245 119.950 0.015 0.000 2.694 462 F HA 0.232 4.759 4.527 -0.000 0.000 0.292 462 F C 1.211 177.002 175.800 -0.015 0.000 1.121 462 F CA -0.580 57.435 58.000 0.025 0.000 1.352 462 F CB -0.010 39.053 39.000 0.104 0.000 1.107 462 F HN -0.071 nan 8.300 nan 0.000 0.597 463 E N 1.701 121.972 120.200 0.119 0.000 2.481 463 E HA 0.110 4.460 4.350 -0.000 0.000 0.263 463 E C -0.963 175.618 176.600 -0.031 0.000 0.992 463 E CA 0.126 56.557 56.400 0.051 0.000 0.938 463 E CB 0.759 30.485 29.700 0.043 0.000 0.933 463 E HN -0.095 nan 8.360 nan 0.000 0.453 464 V N 7.103 126.994 119.914 -0.039 0.000 2.376 464 V HA 0.259 4.379 4.120 -0.000 0.000 0.287 464 V C -2.308 173.794 176.094 0.013 0.000 1.015 464 V CA -1.851 60.405 62.300 -0.073 0.000 0.834 464 V CB 1.571 33.355 31.823 -0.065 0.000 1.001 464 V HN 0.720 nan 8.190 nan 0.000 0.428 465 P HA 0.126 nan 4.420 nan 0.000 0.267 465 P C -0.548 176.934 177.300 0.304 0.000 1.209 465 P CA -0.190 63.035 63.100 0.209 0.000 0.763 465 P CB 0.578 32.492 31.700 0.358 0.000 0.816 466 L N 5.538 126.878 121.223 0.196 0.000 2.349 466 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 466 L C -0.635 176.314 176.870 0.130 0.000 1.115 466 L CA 0.122 55.072 54.840 0.183 0.000 0.820 466 L CB 0.024 42.165 42.059 0.138 0.000 1.135 466 L HN 0.286 nan 8.230 nan 0.000 0.445 467 I N 5.736 126.366 120.570 0.101 0.000 2.460 467 I HA 0.337 4.507 4.170 -0.000 0.000 0.277 467 I C 0.007 176.115 176.117 -0.016 0.000 1.057 467 I CA -0.590 60.721 61.300 0.019 0.000 1.179 467 I CB 0.350 38.343 38.000 -0.011 0.000 1.329 467 I HN 0.584 nan 8.210 nan 0.000 0.478 468 R N 7.102 127.588 120.500 -0.023 0.000 2.483 468 R HA 0.310 4.649 4.340 -0.000 0.000 0.329 468 R C -0.683 175.622 176.300 0.007 0.000 0.961 468 R CA 0.584 56.662 56.100 -0.036 0.000 1.041 468 R CB 0.033 30.308 30.300 -0.041 0.000 0.930 468 R HN 0.551 nan 8.270 nan 0.000 0.413 469 I N 2.089 122.669 120.570 0.017 0.000 2.622 469 I HA 0.366 4.536 4.170 -0.000 0.000 0.283 469 I C 0.403 176.542 176.117 0.037 0.000 1.202 469 I CA -0.453 60.935 61.300 0.147 0.000 1.075 469 I CB 1.943 40.062 38.000 0.198 0.000 1.274 469 I HN 0.909 nan 8.210 nan 0.000 0.450 470 G N 5.384 114.137 108.800 -0.078 0.000 2.384 470 G HA2 0.236 4.196 3.960 -0.000 0.000 0.113 470 G HA3 0.236 4.196 3.960 -0.000 0.000 0.113 470 G C -1.926 172.808 174.900 -0.277 0.000 1.224 470 G CA -0.386 44.437 45.100 -0.462 0.000 1.126 470 G HN 0.488 nan 8.290 nan 0.000 0.461 471 F N 1.980 121.702 119.950 -0.380 0.000 2.669 471 F HA 0.639 5.166 4.527 -0.000 0.000 0.315 471 F C -2.615 173.031 175.800 -0.257 0.000 1.109 471 F CA -1.058 56.690 58.000 -0.419 0.000 1.028 471 F CB 2.366 41.134 39.000 -0.387 0.000 1.287 471 F HN 0.503 nan 8.300 nan 0.000 0.452 472 P HA 0.587 nan 4.420 nan 0.000 0.283 472 P C -1.206 175.342 177.300 -1.254 0.000 1.278 472 P CA -0.446 61.547 63.100 -1.845 0.000 0.834 472 P CB 2.567 32.869 31.700 -2.330 0.000 1.150 473 I N 1.003 120.952 120.570 -1.036 0.000 2.468 473 I HA 0.245 4.415 4.170 -0.000 0.000 0.285 473 I C -0.064 175.704 176.117 -0.580 0.000 1.039 473 I CA -0.394 60.530 61.300 -0.626 0.000 1.074 473 I CB 1.461 39.368 38.000 -0.156 0.000 1.228 473 I HN 0.191 nan 8.210 nan 0.000 0.436 474 F N 1.986 121.827 119.950 -0.181 0.000 2.778 474 F HA 0.060 4.587 4.527 -0.000 0.000 0.314 474 F C 1.770 177.520 175.800 -0.083 0.000 1.073 474 F CA -0.412 57.501 58.000 -0.146 0.000 1.218 474 F CB -0.053 38.834 39.000 -0.188 0.000 1.037 474 F HN 0.434 nan 8.300 nan 0.000 0.594 475 D N 0.512 120.941 120.400 0.047 0.000 2.325 475 D HA 0.076 4.716 4.640 -0.000 0.000 0.234 475 D C 0.366 176.645 176.300 -0.036 0.000 1.122 475 D CA 0.362 54.359 54.000 -0.005 0.000 0.850 475 D CB 0.172 40.934 40.800 -0.062 0.000 0.921 475 D HN 0.069 nan 8.370 nan 0.000 0.513 476 R N -0.472 120.033 120.500 0.010 0.000 2.710 476 R HA 0.361 4.701 4.340 -0.000 0.000 0.270 476 R C -0.907 175.472 176.300 0.132 0.000 1.021 476 R CA -0.591 55.502 56.100 -0.011 0.000 0.889 476 R CB 1.393 31.675 30.300 -0.030 0.000 1.243 476 R HN 0.226 nan 8.270 nan 0.000 0.464 477 H N 1.283 120.268 119.070 -0.142 0.000 2.472 477 H HA 0.267 4.823 4.556 -0.000 0.000 0.338 477 H C -0.173 175.031 175.328 -0.206 0.000 1.133 477 H CA -0.677 55.197 56.048 -0.291 0.000 1.216 477 H CB 1.182 30.671 29.762 -0.455 0.000 1.497 477 H HN 0.617 nan 8.280 nan 0.000 0.500 478 H N 1.432 120.601 119.070 0.165 0.000 2.921 478 H HA -0.182 4.374 4.556 -0.000 0.000 0.281 478 H C 1.041 176.401 175.328 0.053 0.000 1.165 478 H CA 0.531 56.684 56.048 0.174 0.000 1.151 478 H CB -1.442 28.363 29.762 0.072 0.000 1.311 478 H HN 0.670 nan 8.280 nan 0.000 0.361 479 L N 0.756 122.045 121.223 0.110 0.000 2.395 479 L HA -0.092 4.248 4.340 -0.000 0.000 0.218 479 L C 2.668 179.408 176.870 -0.215 0.000 1.130 479 L CA 1.113 55.914 54.840 -0.065 0.000 0.826 479 L CB -0.345 41.674 42.059 -0.068 0.000 0.941 479 L HN 0.462 nan 8.230 nan 0.000 0.451 480 H N 0.008 118.936 119.070 -0.237 0.000 2.567 480 H HA -0.065 4.491 4.556 -0.000 0.000 0.276 480 H C 1.442 176.695 175.328 -0.125 0.000 1.016 480 H CA 0.470 56.389 56.048 -0.214 0.000 1.186 480 H CB -0.329 29.306 29.762 -0.210 0.000 1.351 480 H HN 0.348 nan 8.280 nan 0.000 0.605 481 R N 0.478 120.672 120.500 -0.510 0.000 2.334 481 R HA 0.178 4.517 4.340 -0.000 0.000 0.216 481 R C 0.516 176.651 176.300 -0.274 0.000 0.905 481 R CA -0.102 55.759 56.100 -0.397 0.000 1.064 481 R CB 0.543 30.638 30.300 -0.341 0.000 1.046 481 R HN 0.078 nan 8.270 nan 0.000 0.508 482 S N 0.472 115.946 115.700 -0.376 0.000 2.634 482 S HA 0.136 4.606 4.470 -0.000 0.000 0.254 482 S C 0.327 174.795 174.600 -0.219 0.000 1.299 482 S CA 0.186 58.185 58.200 -0.335 0.000 0.974 482 S CB 0.903 63.805 63.200 -0.496 0.000 1.001 482 S HN 0.120 nan 8.310 nan 0.000 0.584 483 T N 0.284 114.780 114.554 -0.097 0.000 2.991 483 T HA 0.454 4.804 4.350 -0.000 0.000 0.303 483 T C 0.666 175.406 174.700 0.066 0.000 1.015 483 T CA -0.665 61.435 62.100 -0.000 0.000 1.007 483 T CB 1.630 70.479 68.868 -0.030 0.000 1.034 483 T HN 0.689 nan 8.240 nan 0.000 0.446 484 T N 0.042 114.666 114.554 0.116 0.000 2.964 484 T HA 0.360 4.710 4.350 -0.000 0.000 0.249 484 T C 0.697 175.397 174.700 -0.000 0.000 1.000 484 T CA -0.178 61.986 62.100 0.106 0.000 0.992 484 T CB -0.159 68.837 68.868 0.212 0.000 1.087 484 T HN 0.412 nan 8.240 nan 0.000 0.489 485 L N 1.992 123.189 121.223 -0.044 0.000 2.466 485 L HA 0.572 4.912 4.340 -0.000 0.000 0.257 485 L C 1.525 178.309 176.870 -0.142 0.000 1.189 485 L CA 0.265 55.035 54.840 -0.117 0.000 0.813 485 L CB -0.264 41.689 42.059 -0.177 0.000 1.118 485 L HN 0.639 nan 8.230 nan 0.000 0.471 486 G N -0.111 108.571 108.800 -0.196 0.000 2.806 486 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.236 486 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.236 486 G C 0.024 174.881 174.900 -0.072 0.000 1.387 486 G CA 0.253 45.221 45.100 -0.220 0.000 0.884 486 G HN 0.544 nan 8.290 nan 0.000 0.560 487 Y N 0.192 120.438 120.300 -0.090 0.000 2.242 487 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 487 Y C 2.793 178.645 175.900 -0.080 0.000 1.137 487 Y CA 1.790 59.838 58.100 -0.087 0.000 1.181 487 Y CB -0.758 37.679 38.460 -0.039 0.000 0.989 487 Y HN 0.825 nan 8.280 nan 0.000 0.527 488 E N -0.040 120.211 120.200 0.084 0.000 2.033 488 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 488 E C 2.578 179.180 176.600 0.003 0.000 1.011 488 E CA 1.420 57.839 56.400 0.033 0.000 0.815 488 E CB -0.563 29.137 29.700 0.001 0.000 0.755 488 E HN 0.440 nan 8.360 nan 0.000 0.451 489 G N 0.887 109.671 108.800 -0.026 0.000 2.514 489 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.217 489 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.217 489 G C 1.693 176.549 174.900 -0.073 0.000 1.198 489 G CA 1.813 46.889 45.100 -0.040 0.000 0.780 489 G HN 0.494 nan 8.290 nan 0.000 0.565 490 A N 0.733 123.445 122.820 -0.181 0.000 1.894 490 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 490 A C 2.516 180.082 177.584 -0.031 0.000 1.237 490 A CA 2.706 54.522 52.037 -0.368 0.000 0.660 490 A CB -0.623 18.115 19.000 -0.437 0.000 0.835 490 A HN 0.436 nan 8.150 nan 0.000 0.461 491 M N -1.478 118.128 119.600 0.010 0.000 2.110 491 M HA -0.316 4.164 4.480 -0.000 0.000 0.257 491 M C 2.564 178.895 176.300 0.052 0.000 1.071 491 M CA 2.353 57.683 55.300 0.051 0.000 1.096 491 M CB -0.736 31.884 32.600 0.033 0.000 1.300 491 M HN 0.546 nan 8.290 nan 0.000 0.411 492 Q N 0.325 120.142 119.800 0.027 0.000 1.998 492 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 492 Q C 2.022 178.046 176.000 0.040 0.000 1.002 492 Q CA 2.074 57.889 55.803 0.020 0.000 0.858 492 Q CB -0.453 28.288 28.738 0.004 0.000 0.932 492 Q HN 0.549 nan 8.270 nan 0.000 0.416 493 I N 0.618 121.232 120.570 0.073 0.000 2.118 493 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 493 I C 2.490 178.667 176.117 0.101 0.000 1.070 493 I CA 1.098 62.460 61.300 0.104 0.000 1.327 493 I CB -0.393 37.718 38.000 0.184 0.000 1.034 493 I HN 0.298 nan 8.210 nan 0.000 0.405 494 L N 0.189 121.525 121.223 0.187 0.000 2.021 494 L HA -0.301 4.039 4.340 -0.000 0.000 0.215 494 L C 2.573 179.465 176.870 0.037 0.000 1.074 494 L CA 2.010 56.920 54.840 0.117 0.000 0.760 494 L CB -0.393 41.769 42.059 0.172 0.000 0.889 494 L HN 0.302 nan 8.230 nan 0.000 0.433 495 T N -1.197 113.377 114.554 0.034 0.000 2.668 495 T HA -0.176 4.174 4.350 -0.000 0.000 0.262 495 T C 1.721 176.404 174.700 -0.029 0.000 1.045 495 T CA 1.890 63.990 62.100 0.001 0.000 1.152 495 T CB -0.465 68.403 68.868 0.001 0.000 0.864 495 T HN 0.415 nan 8.240 nan 0.000 0.419 496 T N 2.714 117.252 114.554 -0.028 0.000 2.714 496 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 496 T C 1.780 176.422 174.700 -0.097 0.000 1.036 496 T CA 1.002 63.069 62.100 -0.055 0.000 1.148 496 T CB -0.518 68.327 68.868 -0.038 0.000 0.856 496 T HN 0.200 nan 8.240 nan 0.000 0.462 497 L N 0.060 121.228 121.223 -0.092 0.000 1.932 497 L HA -0.019 4.321 4.340 -0.000 0.000 0.213 497 L C 2.622 179.419 176.870 -0.121 0.000 1.108 497 L CA 0.919 55.680 54.840 -0.132 0.000 0.778 497 L CB -1.132 40.853 42.059 -0.123 0.000 0.891 497 L HN 0.064 nan 8.230 nan 0.000 0.436 498 V N 0.647 120.531 119.914 -0.050 0.000 2.311 498 V HA -0.449 3.671 4.120 -0.000 0.000 0.259 498 V C 2.023 178.050 176.094 -0.111 0.000 1.086 498 V CA 2.840 65.122 62.300 -0.030 0.000 1.078 498 V CB -0.666 31.169 31.823 0.020 0.000 0.668 498 V HN 0.567 nan 8.190 nan 0.000 0.452 499 N N -0.959 117.674 118.700 -0.112 0.000 2.216 499 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 499 N C 1.972 177.389 175.510 -0.155 0.000 1.017 499 N CA 1.252 54.223 53.050 -0.132 0.000 0.861 499 N CB -0.176 38.254 38.487 -0.095 0.000 0.986 499 N HN 0.475 nan 8.380 nan 0.000 0.428 500 S N 0.890 116.473 115.700 -0.195 0.000 2.382 500 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 500 S C 1.898 176.344 174.600 -0.257 0.000 1.027 500 S CA 0.696 58.743 58.200 -0.256 0.000 0.991 500 S CB -0.104 62.845 63.200 -0.418 0.000 0.823 500 S HN 0.241 nan 8.310 nan 0.000 0.469 501 I N 1.131 121.537 120.570 -0.273 0.000 2.072 501 I HA -0.212 3.958 4.170 -0.000 0.000 0.235 501 I C 2.113 178.191 176.117 -0.066 0.000 1.058 501 I CA 1.313 62.596 61.300 -0.029 0.000 1.320 501 I CB -0.501 37.508 38.000 0.014 0.000 1.047 501 I HN 0.251 nan 8.210 nan 0.000 0.397 502 L N 0.405 121.479 121.223 -0.247 0.000 2.081 502 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 502 L C 2.533 179.283 176.870 -0.200 0.000 1.080 502 L CA 1.366 55.986 54.840 -0.366 0.000 0.754 502 L CB -0.565 41.221 42.059 -0.455 0.000 0.893 502 L HN 0.296 nan 8.230 nan 0.000 0.433 503 E N 0.364 120.488 120.200 -0.127 0.000 2.085 503 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 503 E C 2.199 178.787 176.600 -0.020 0.000 0.994 503 E CA 1.480 57.839 56.400 -0.068 0.000 0.801 503 E CB -0.002 29.666 29.700 -0.053 0.000 0.743 503 E HN 0.189 nan 8.360 nan 0.000 0.453 504 R N -0.300 120.216 120.500 0.027 0.000 2.093 504 R HA -0.016 4.324 4.340 -0.000 0.000 0.224 504 R C 2.165 178.470 176.300 0.009 0.000 1.101 504 R CA 1.006 57.144 56.100 0.063 0.000 0.979 504 R CB -0.687 29.725 30.300 0.188 0.000 0.877 504 R HN 0.326 nan 8.270 nan 0.000 0.441 505 L N 0.802 122.007 121.223 -0.030 0.000 2.083 505 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 505 L C 1.117 177.969 176.870 -0.030 0.000 1.083 505 L CA 1.991 56.795 54.840 -0.060 0.000 0.752 505 L CB -0.672 41.296 42.059 -0.151 0.000 0.899 505 L HN 0.179 nan 8.230 nan 0.000 0.433 506 D N -0.333 120.056 120.400 -0.018 0.000 2.084 506 D HA -0.248 4.391 4.640 -0.000 0.000 0.194 506 D C 2.098 178.446 176.300 0.080 0.000 0.990 506 D CA 1.556 55.616 54.000 0.099 0.000 0.826 506 D CB -0.085 40.752 40.800 0.062 0.000 0.971 506 D HN 0.562 nan 8.370 nan 0.000 0.453 507 E N 0.545 120.761 120.200 0.025 0.000 2.171 507 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 507 E C 1.414 177.987 176.600 -0.045 0.000 0.997 507 E CA 1.161 57.556 56.400 -0.009 0.000 0.810 507 E CB 0.033 29.732 29.700 -0.001 0.000 0.738 507 E HN 0.368 nan 8.360 nan 0.000 0.467 508 E N -0.699 119.474 120.200 -0.045 0.000 2.435 508 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 508 E C 0.902 177.443 176.600 -0.098 0.000 1.029 508 E CA 1.193 57.553 56.400 -0.065 0.000 0.865 508 E CB 0.404 30.069 29.700 -0.059 0.000 0.833 508 E HN 0.322 nan 8.360 nan 0.000 0.510 509 T N -2.182 112.301 114.554 -0.118 0.000 3.296 509 T HA 0.259 4.609 4.350 -0.000 0.000 0.285 509 T C 0.998 175.443 174.700 -0.425 0.000 1.014 509 T CA -0.560 61.424 62.100 -0.193 0.000 0.920 509 T CB 0.327 69.118 68.868 -0.128 0.000 1.143 509 T HN -0.076 nan 8.240 nan 0.000 0.522 510 R N 1.010 121.251 120.500 -0.432 0.000 2.300 510 R HA 0.318 4.658 4.340 -0.000 0.000 0.199 510 R C 1.186 177.306 176.300 -0.300 0.000 0.920 510 R CA -0.001 55.741 56.100 -0.596 0.000 1.046 510 R CB -0.310 29.781 30.300 -0.348 0.000 0.984 510 R HN 0.439 nan 8.270 nan 0.000 0.493 511 G N 1.753 110.438 108.800 -0.191 0.000 2.299 511 G HA2 0.073 4.033 3.960 -0.000 0.000 0.256 511 G HA3 0.073 4.033 3.960 -0.000 0.000 0.256 511 G C -0.240 174.613 174.900 -0.079 0.000 1.259 511 G CA -0.373 44.666 45.100 -0.102 0.000 0.943 511 G HN 0.176 nan 8.290 nan 0.000 0.479 512 M N 2.159 121.727 119.600 -0.052 0.000 2.248 512 M HA 0.097 4.577 4.480 -0.000 0.000 0.345 512 M C 1.055 177.357 176.300 0.004 0.000 1.243 512 M CA 0.413 55.700 55.300 -0.023 0.000 1.090 512 M CB 0.201 32.793 32.600 -0.013 0.000 1.683 512 M HN 0.794 nan 8.290 nan 0.000 0.450 513 Q N 2.621 122.436 119.800 0.025 0.000 2.426 513 Q HA -0.285 4.055 4.340 -0.000 0.000 0.359 513 Q C -0.773 175.256 176.000 0.049 0.000 1.381 513 Q CA 0.744 56.572 55.803 0.042 0.000 1.060 513 Q CB -0.989 27.764 28.738 0.026 0.000 1.253 513 Q HN 0.922 nan 8.270 nan 0.000 0.363 514 A N -0.532 122.337 122.820 0.081 0.000 1.766 514 A HA 0.103 4.423 4.320 -0.000 0.000 0.172 514 A C 0.963 178.657 177.584 0.184 0.000 1.489 514 A CA 0.652 52.743 52.037 0.089 0.000 1.662 514 A CB 0.014 19.037 19.000 0.038 0.000 1.591 514 A HN 0.779 nan 8.150 nan 0.000 0.804 515 T N -1.432 113.181 114.554 0.099 0.000 3.058 515 T HA 0.128 4.478 4.350 -0.000 0.000 0.278 515 T C 0.675 175.261 174.700 -0.189 0.000 0.974 515 T CA 0.918 63.013 62.100 -0.008 0.000 0.893 515 T CB 0.065 68.885 68.868 -0.080 0.000 1.138 515 T HN 0.448 nan 8.240 nan 0.000 0.529 516 D N 1.659 122.023 120.400 -0.060 0.000 2.371 516 D HA -0.123 4.517 4.640 -0.000 0.000 0.234 516 D C 1.348 177.666 176.300 0.029 0.000 1.049 516 D CA 0.130 54.080 54.000 -0.083 0.000 0.907 516 D CB -0.505 40.258 40.800 -0.062 0.000 0.891 516 D HN 0.723 nan 8.370 nan 0.000 0.531 517 Y N -0.125 120.196 120.300 0.034 0.000 2.420 517 Y HA 0.184 4.734 4.550 -0.000 0.000 0.292 517 Y C 1.381 177.322 175.900 0.069 0.000 1.119 517 Y CA 0.421 58.549 58.100 0.046 0.000 1.229 517 Y CB -0.748 37.729 38.460 0.029 0.000 1.026 517 Y HN -0.108 nan 8.280 nan 0.000 0.554 518 N N 0.240 118.620 118.700 -0.534 0.000 2.320 518 N HA -0.054 4.685 4.740 -0.000 0.000 0.237 518 N C -0.413 175.060 175.510 -0.062 0.000 1.129 518 N CA -0.066 52.806 53.050 -0.296 0.000 0.854 518 N CB -0.698 37.504 38.487 -0.474 0.000 1.083 518 N HN 0.540 nan 8.380 nan 0.000 0.504 519 H N 0.288 119.281 119.070 -0.129 0.000 2.557 519 H HA 0.114 4.670 4.556 -0.000 0.000 0.236 519 H C -0.683 174.624 175.328 -0.035 0.000 1.676 519 H CA -0.764 55.237 56.048 -0.079 0.000 1.197 519 H CB -0.052 29.673 29.762 -0.062 0.000 1.604 519 H HN 0.279 nan 8.280 nan 0.000 0.509 520 D N 1.361 121.750 120.400 -0.017 0.000 2.390 520 D HA -0.120 4.520 4.640 -0.000 0.000 0.236 520 D C 1.356 177.598 176.300 -0.097 0.000 1.189 520 D CA -0.068 53.918 54.000 -0.024 0.000 0.887 520 D CB 1.501 42.317 40.800 0.028 0.000 1.198 520 D HN 0.395 nan 8.370 nan 0.000 0.444 521 L N 1.808 122.996 121.223 -0.058 0.000 2.168 521 L HA 0.072 4.412 4.340 -0.000 0.000 0.203 521 L C 0.267 177.108 176.870 -0.050 0.000 1.078 521 L CA 1.097 55.892 54.840 -0.074 0.000 0.780 521 L CB 0.327 42.362 42.059 -0.040 0.000 0.939 521 L HN 0.165 nan 8.230 nan 0.000 0.451 522 V N 2.351 122.258 119.914 -0.011 0.000 2.407 522 V HA 0.459 4.579 4.120 -0.000 0.000 0.278 522 V C 0.244 176.371 176.094 0.056 0.000 1.037 522 V CA -0.479 61.830 62.300 0.016 0.000 0.900 522 V CB 1.089 32.927 31.823 0.025 0.000 0.983 522 V HN 0.317 nan 8.190 nan 0.000 0.459 523 R N 0.000 120.548 120.500 0.080 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.226 56.100 0.209 0.000 0.921 523 R CB 0.000 30.340 30.300 0.067 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535