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 1m34_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 0.000 174.617 174.600 0.029 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.204 63.200 0.007 0.000 0.593 3 Q N 1.326 121.133 119.800 0.011 0.000 2.345 3 Q HA 0.405 4.745 4.340 -0.000 0.000 0.275 3 Q C -1.554 174.441 176.000 -0.007 0.000 1.063 3 Q CA -0.876 54.925 55.803 -0.003 0.000 0.819 3 Q CB 2.162 30.896 28.738 -0.006 0.000 1.356 3 Q HN 0.545 nan 8.270 nan 0.000 0.418 4 Q N 1.847 121.640 119.800 -0.013 0.000 2.368 4 Q HA 0.144 4.484 4.340 -0.000 0.000 0.256 4 Q C 0.898 176.891 176.000 -0.012 0.000 0.980 4 Q CA -0.204 55.592 55.803 -0.011 0.000 0.887 4 Q CB 1.822 30.552 28.738 -0.014 0.000 1.221 4 Q HN 0.556 nan 8.270 nan 0.000 0.458 5 V N 3.153 123.062 119.914 -0.008 0.000 2.636 5 V HA -0.286 3.834 4.120 -0.000 0.000 0.258 5 V C 1.509 177.598 176.094 -0.008 0.000 1.092 5 V CA 2.775 65.070 62.300 -0.007 0.000 1.110 5 V CB -0.097 31.723 31.823 -0.004 0.000 0.685 5 V HN 0.777 nan 8.190 nan 0.000 0.481 6 D N -0.689 119.706 120.400 -0.009 0.000 2.249 6 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 6 D C 0.876 177.169 176.300 -0.012 0.000 0.962 6 D CA 0.526 54.521 54.000 -0.008 0.000 0.860 6 D CB 0.025 40.821 40.800 -0.007 0.000 0.955 6 D HN 0.465 nan 8.370 nan 0.000 0.505 7 K N 0.759 121.149 120.400 -0.016 0.000 2.895 7 K HA 0.364 4.684 4.320 -0.000 0.000 0.191 7 K C -0.647 175.934 176.600 -0.032 0.000 1.117 7 K CA -0.328 55.946 56.287 -0.023 0.000 0.988 7 K CB 1.664 34.150 32.500 -0.024 0.000 1.181 7 K HN 0.015 nan 8.250 nan 0.000 0.598 8 I N 2.074 122.625 120.570 -0.031 0.000 2.588 8 I HA 0.034 4.204 4.170 -0.000 0.000 0.283 8 I C 0.209 176.289 176.117 -0.061 0.000 1.119 8 I CA 0.108 61.384 61.300 -0.041 0.000 1.419 8 I CB 0.538 38.520 38.000 -0.031 0.000 1.394 8 I HN 0.191 nan 8.210 nan 0.000 0.562 9 K N 5.498 125.844 120.400 -0.089 0.000 2.206 9 K HA 0.650 4.970 4.320 -0.000 0.000 0.264 9 K C -0.341 176.159 176.600 -0.167 0.000 0.967 9 K CA -0.592 55.614 56.287 -0.134 0.000 0.844 9 K CB 1.952 34.350 32.500 -0.171 0.000 1.099 9 K HN 0.698 nan 8.250 nan 0.000 0.441 10 A N 1.301 124.034 122.820 -0.145 0.000 2.249 10 A HA 0.173 4.493 4.320 -0.000 0.000 0.281 10 A C 1.499 178.935 177.584 -0.246 0.000 1.127 10 A CA 0.130 52.084 52.037 -0.138 0.000 0.833 10 A CB 0.276 19.249 19.000 -0.046 0.000 1.140 10 A HN 0.875 nan 8.150 nan 0.000 0.502 11 S N -0.598 114.965 115.700 -0.228 0.000 2.381 11 S HA -0.350 4.120 4.470 -0.000 0.000 0.230 11 S C 1.793 176.306 174.600 -0.145 0.000 1.052 11 S CA 2.397 60.402 58.200 -0.324 0.000 1.068 11 S CB -1.063 62.231 63.200 0.157 0.000 0.918 11 S HN 1.141 nan 8.310 nan 0.000 0.448 12 Y N 4.495 124.751 120.300 -0.072 0.000 2.030 12 Y HA 0.015 4.565 4.550 -0.000 0.000 0.274 12 Y C -0.665 175.203 175.900 -0.053 0.000 1.153 12 Y CA 1.383 59.472 58.100 -0.018 0.000 1.115 12 Y CB -1.842 36.616 38.460 -0.003 0.000 0.969 12 Y HN 0.260 nan 8.280 nan 0.000 0.488 13 P HA -0.155 nan 4.420 nan 0.000 0.214 13 P C 1.980 179.039 177.300 -0.402 0.000 1.162 13 P CA 1.566 64.220 63.100 -0.745 0.000 0.874 13 P CB -0.265 31.123 31.700 -0.519 0.000 0.784 14 L N -0.647 120.334 121.223 -0.404 0.000 2.011 14 L HA -0.220 4.120 4.340 -0.000 0.000 0.225 14 L C 1.824 178.427 176.870 -0.445 0.000 1.084 14 L CA 2.081 56.642 54.840 -0.465 0.000 0.791 14 L CB -1.594 40.011 42.059 -0.757 0.000 0.898 14 L HN -0.124 nan 8.230 nan 0.000 0.440 15 F N -0.691 119.076 119.950 -0.304 0.000 2.805 15 F HA 0.014 4.541 4.527 -0.000 0.000 0.301 15 F C 1.804 177.570 175.800 -0.057 0.000 1.196 15 F CA 0.288 58.092 58.000 -0.326 0.000 1.439 15 F CB -0.781 38.040 39.000 -0.298 0.000 1.117 15 F HN 0.108 nan 8.300 nan 0.000 0.581 16 L N -1.087 120.179 121.223 0.072 0.000 2.607 16 L HA 0.111 4.451 4.340 -0.000 0.000 0.228 16 L C 0.218 177.143 176.870 0.092 0.000 1.123 16 L CA -0.088 54.799 54.840 0.078 0.000 0.890 16 L CB -0.290 41.771 42.059 0.004 0.000 1.103 16 L HN -0.137 nan 8.230 nan 0.000 0.468 17 D N 0.367 120.848 120.400 0.135 0.000 2.399 17 D HA -0.047 4.593 4.640 -0.000 0.000 0.241 17 D C 0.960 177.354 176.300 0.156 0.000 1.133 17 D CA 0.174 54.258 54.000 0.141 0.000 0.890 17 D CB 1.258 42.176 40.800 0.197 0.000 1.201 17 D HN -0.084 nan 8.370 nan 0.000 0.432 18 Q N 1.631 121.485 119.800 0.089 0.000 2.112 18 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 18 Q C 1.201 177.237 176.000 0.060 0.000 0.987 18 Q CA 2.056 57.900 55.803 0.068 0.000 0.858 18 Q CB -0.081 28.679 28.738 0.037 0.000 0.905 18 Q HN 0.588 nan 8.270 nan 0.000 0.420 19 D N -1.395 119.019 120.400 0.024 0.000 2.144 19 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 19 D C 1.431 177.701 176.300 -0.050 0.000 0.984 19 D CA 1.342 55.311 54.000 -0.052 0.000 0.834 19 D CB -0.891 39.824 40.800 -0.142 0.000 0.955 19 D HN 0.393 nan 8.370 nan 0.000 0.465 20 Y N 0.993 121.343 120.300 0.083 0.000 2.263 20 Y HA 0.042 4.592 4.550 -0.000 0.000 0.292 20 Y C 2.516 178.465 175.900 0.082 0.000 1.130 20 Y CA 0.932 59.103 58.100 0.117 0.000 1.179 20 Y CB -0.108 38.489 38.460 0.229 0.000 0.998 20 Y HN -0.071 nan 8.280 nan 0.000 0.532 21 K N -0.107 120.425 120.400 0.221 0.000 2.025 21 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 21 K C 1.605 178.259 176.600 0.090 0.000 1.049 21 K CA 1.564 57.933 56.287 0.137 0.000 0.933 21 K CB -0.179 32.385 32.500 0.106 0.000 0.714 21 K HN 0.229 nan 8.250 nan 0.000 0.438 22 D N 0.833 121.274 120.400 0.068 0.000 2.104 22 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 22 D C 1.788 178.113 176.300 0.042 0.000 0.994 22 D CA 1.146 55.170 54.000 0.040 0.000 0.830 22 D CB -0.138 40.675 40.800 0.020 0.000 0.959 22 D HN 0.181 nan 8.370 nan 0.000 0.452 23 M N 0.303 119.932 119.600 0.048 0.000 2.065 23 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 23 M C 2.118 178.460 176.300 0.070 0.000 1.069 23 M CA 1.390 56.722 55.300 0.053 0.000 1.110 23 M CB -0.154 32.474 32.600 0.047 0.000 1.328 23 M HN -0.027 nan 8.290 nan 0.000 0.405 24 L N 0.214 121.486 121.223 0.081 0.000 2.131 24 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 24 L C 2.748 179.646 176.870 0.047 0.000 1.092 24 L CA 1.016 55.892 54.840 0.060 0.000 0.759 24 L CB -1.012 41.077 42.059 0.050 0.000 0.903 24 L HN 0.438 nan 8.230 nan 0.000 0.435 25 A N 0.401 123.247 122.820 0.043 0.000 1.898 25 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 25 A C 2.325 179.916 177.584 0.010 0.000 1.181 25 A CA 1.523 53.574 52.037 0.025 0.000 0.620 25 A CB -0.264 18.750 19.000 0.023 0.000 0.819 25 A HN 0.323 nan 8.150 nan 0.000 0.442 26 K N -0.252 120.160 120.400 0.021 0.000 2.148 26 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 26 K C 2.130 178.746 176.600 0.027 0.000 1.050 26 K CA 1.426 57.717 56.287 0.006 0.000 0.942 26 K CB -0.100 32.421 32.500 0.035 0.000 0.724 26 K HN 0.545 nan 8.250 nan 0.000 0.446 27 K N 1.726 122.184 120.400 0.097 0.000 2.057 27 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 27 K C 2.279 178.949 176.600 0.117 0.000 1.050 27 K CA 1.134 57.536 56.287 0.192 0.000 0.935 27 K CB 0.009 32.595 32.500 0.144 0.000 0.715 27 K HN -0.017 nan 8.250 nan 0.000 0.439 28 R N 0.654 121.178 120.500 0.041 0.000 2.088 28 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 28 R C 1.498 177.766 176.300 -0.052 0.000 1.136 28 R CA 2.325 58.429 56.100 0.008 0.000 0.926 28 R CB -0.377 29.926 30.300 0.005 0.000 0.837 28 R HN 0.283 nan 8.270 nan 0.000 0.429 29 D N -0.745 119.603 120.400 -0.088 0.000 2.178 29 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 29 D C 1.726 177.863 176.300 -0.271 0.000 0.980 29 D CA 1.500 55.416 54.000 -0.139 0.000 0.842 29 D CB -0.402 40.332 40.800 -0.110 0.000 0.948 29 D HN 0.564 nan 8.370 nan 0.000 0.472 30 G N -0.376 108.138 108.800 -0.477 0.000 2.395 30 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 30 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 30 G C 0.940 175.175 174.900 -1.109 0.000 1.177 30 G CA 0.271 44.755 45.100 -1.027 0.000 0.794 30 G HN 0.277 nan 8.290 nan 0.000 0.532 31 F N -0.430 119.507 119.950 -0.021 0.000 2.817 31 F HA 0.402 4.929 4.527 -0.000 0.000 0.333 31 F C 1.960 177.742 175.800 -0.030 0.000 1.085 31 F CA -0.402 57.583 58.000 -0.025 0.000 1.170 31 F CB 0.550 39.537 39.000 -0.021 0.000 1.066 31 F HN 0.054 nan 8.300 nan 0.000 0.564 32 E N 0.956 121.202 120.200 0.078 0.000 2.435 32 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 32 E C 0.020 176.612 176.600 -0.014 0.000 1.029 32 E CA 0.207 56.633 56.400 0.042 0.000 0.865 32 E CB -0.120 29.601 29.700 0.035 0.000 0.833 32 E HN 0.336 nan 8.360 nan 0.000 0.510 33 E N 1.457 121.628 120.200 -0.048 0.000 2.199 33 E HA -0.247 4.103 4.350 -0.000 0.000 0.208 33 E C -0.449 176.070 176.600 -0.136 0.000 1.310 33 E CA 0.577 56.919 56.400 -0.096 0.000 0.709 33 E CB -1.302 28.343 29.700 -0.092 0.000 1.127 33 E HN 0.258 nan 8.360 nan 0.000 0.354 34 K N -0.587 119.759 120.400 -0.091 0.000 2.098 34 K HA 0.325 4.645 4.320 -0.000 0.000 0.257 34 K C -0.346 176.205 176.600 -0.081 0.000 0.999 34 K CA -0.598 55.650 56.287 -0.066 0.000 0.924 34 K CB 0.602 33.110 32.500 0.013 0.000 1.028 34 K HN -0.040 nan 8.250 nan 0.000 0.466 35 Y N 1.382 121.683 120.300 0.002 0.000 2.578 35 Y HA 0.090 4.640 4.550 -0.000 0.000 0.339 35 Y C -1.751 174.151 175.900 0.003 0.000 1.231 35 Y CA -1.317 56.784 58.100 0.002 0.000 1.461 35 Y CB -0.036 38.430 38.460 0.009 0.000 1.323 35 Y HN 0.590 nan 8.280 nan 0.000 0.590 36 P HA -0.042 nan 4.420 nan 0.000 0.269 36 P C 0.165 177.523 177.300 0.096 0.000 1.215 36 P CA -0.113 63.044 63.100 0.095 0.000 0.780 36 P CB 0.731 32.477 31.700 0.076 0.000 0.898 37 Q N 1.565 121.404 119.800 0.065 0.000 2.181 37 Q HA -0.208 4.132 4.340 -0.000 0.000 0.205 37 Q C 1.145 177.180 176.000 0.059 0.000 0.980 37 Q CA 1.939 57.779 55.803 0.061 0.000 0.862 37 Q CB -0.731 28.035 28.738 0.046 0.000 0.905 37 Q HN 0.397 nan 8.270 nan 0.000 0.429 38 D N -0.361 120.069 120.400 0.050 0.000 2.117 38 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 38 D C 1.594 177.917 176.300 0.039 0.000 0.987 38 D CA 0.963 54.987 54.000 0.040 0.000 0.829 38 D CB 0.016 40.834 40.800 0.030 0.000 0.961 38 D HN 0.128 nan 8.370 nan 0.000 0.460 39 K N 0.955 121.383 120.400 0.045 0.000 2.097 39 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 39 K C 2.312 178.917 176.600 0.008 0.000 1.050 39 K CA 0.301 56.598 56.287 0.016 0.000 0.938 39 K CB -0.426 32.099 32.500 0.040 0.000 0.718 39 K HN 0.262 nan 8.250 nan 0.000 0.442 40 I N 1.157 121.757 120.570 0.051 0.000 2.202 40 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 40 I C 1.694 177.886 176.117 0.126 0.000 1.091 40 I CA 1.277 62.621 61.300 0.073 0.000 1.368 40 I CB -0.347 37.705 38.000 0.087 0.000 1.058 40 I HN 0.100 nan 8.210 nan 0.000 0.410 41 D N 0.620 121.090 120.400 0.117 0.000 2.117 41 D HA -0.228 4.412 4.640 -0.000 0.000 0.197 41 D C 1.972 178.359 176.300 0.144 0.000 0.987 41 D CA 1.211 55.303 54.000 0.152 0.000 0.829 41 D CB -0.280 40.572 40.800 0.086 0.000 0.961 41 D HN 0.437 nan 8.370 nan 0.000 0.460 42 E N 0.728 120.972 120.200 0.074 0.000 2.038 42 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 42 E C 2.141 178.776 176.600 0.059 0.000 1.000 42 E CA 0.967 57.389 56.400 0.037 0.000 0.803 42 E CB 0.143 29.837 29.700 -0.009 0.000 0.750 42 E HN 0.002 nan 8.360 nan 0.000 0.448 43 V N 0.960 120.913 119.914 0.064 0.000 2.427 43 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 43 V C 2.101 178.275 176.094 0.133 0.000 1.051 43 V CA 1.791 64.166 62.300 0.125 0.000 1.048 43 V CB -0.695 31.169 31.823 0.068 0.000 0.666 43 V HN 0.340 nan 8.190 nan 0.000 0.456 44 F N 1.024 120.980 119.950 0.011 0.000 2.046 44 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 44 F C 2.608 178.309 175.800 -0.165 0.000 1.123 44 F CA 1.986 59.956 58.000 -0.049 0.000 1.199 44 F CB -0.506 38.514 39.000 0.033 0.000 0.972 44 F HN 0.062 nan 8.300 nan 0.000 0.474 45 Q N -0.397 119.256 119.800 -0.246 0.000 2.077 45 Q HA -0.295 4.045 4.340 -0.000 0.000 0.206 45 Q C 2.049 177.825 176.000 -0.372 0.000 0.989 45 Q CA 2.181 57.767 55.803 -0.362 0.000 0.853 45 Q CB -1.444 27.226 28.738 -0.114 0.000 0.907 45 Q HN 0.737 nan 8.270 nan 0.000 0.418 46 W N 1.679 122.756 121.300 -0.372 0.000 2.338 46 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 46 W C 2.164 178.377 176.519 -0.511 0.000 1.212 46 W CA 2.859 60.014 57.345 -0.317 0.000 1.264 46 W CB -0.723 28.626 29.460 -0.185 0.000 1.142 46 W HN 0.271 nan 8.180 nan 0.000 0.512 47 T N -2.752 111.238 114.554 -0.940 0.000 3.098 47 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 47 T C 1.459 175.373 174.700 -1.310 0.000 1.145 47 T CA 1.667 62.750 62.100 -1.696 0.000 1.092 47 T CB -0.935 67.185 68.868 -1.246 0.000 0.908 47 T HN 0.287 nan 8.240 nan 0.000 0.526 48 T N -0.634 113.239 114.554 -1.135 0.000 3.040 48 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 48 T C 1.018 175.362 174.700 -0.593 0.000 1.058 48 T CA 0.194 61.597 62.100 -1.162 0.000 0.988 48 T CB -0.334 67.601 68.868 -1.555 0.000 0.993 48 T HN 0.608 nan 8.240 nan 0.000 0.519 49 T N -0.270 114.010 114.554 -0.457 0.000 2.788 49 T HA 0.422 4.772 4.350 -0.000 0.000 0.280 49 T C 0.983 175.596 174.700 -0.145 0.000 0.984 49 T CA -0.792 61.165 62.100 -0.239 0.000 0.972 49 T CB 1.385 70.163 68.868 -0.150 0.000 1.039 49 T HN 0.054 nan 8.240 nan 0.000 0.530 50 K N -0.024 120.328 120.400 -0.081 0.000 2.228 50 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 50 K C 2.227 178.806 176.600 -0.036 0.000 1.051 50 K CA 0.936 57.191 56.287 -0.052 0.000 0.960 50 K CB -0.047 32.431 32.500 -0.036 0.000 0.743 50 K HN 0.612 nan 8.250 nan 0.000 0.458 51 E N 0.173 120.365 120.200 -0.014 0.000 2.051 51 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 51 E C 1.665 178.256 176.600 -0.016 0.000 0.991 51 E CA 1.227 57.648 56.400 0.035 0.000 0.799 51 E CB -0.339 29.445 29.700 0.140 0.000 0.748 51 E HN 0.315 nan 8.360 nan 0.000 0.449 52 Y N 1.330 121.435 120.300 -0.325 0.000 2.242 52 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 52 Y C 2.451 178.191 175.900 -0.266 0.000 1.137 52 Y CA 1.929 59.702 58.100 -0.545 0.000 1.181 52 Y CB -0.021 37.837 38.460 -1.004 0.000 0.989 52 Y HN 0.063 nan 8.280 nan 0.000 0.527 53 Q N 0.255 120.027 119.800 -0.047 0.000 2.135 53 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 53 Q C 1.916 177.960 176.000 0.072 0.000 0.981 53 Q CA 2.187 58.008 55.803 0.031 0.000 0.856 53 Q CB -0.109 28.630 28.738 0.002 0.000 0.902 53 Q HN 0.634 nan 8.270 nan 0.000 0.425 54 E N 0.164 120.360 120.200 -0.008 0.000 2.047 54 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 54 E C 2.121 178.740 176.600 0.032 0.000 0.987 54 E CA 1.254 57.668 56.400 0.023 0.000 0.799 54 E CB -0.077 29.624 29.700 0.001 0.000 0.752 54 E HN 0.387 nan 8.360 nan 0.000 0.449 55 L N 1.196 122.380 121.223 -0.064 0.000 2.042 55 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 55 L C 2.458 179.255 176.870 -0.123 0.000 1.076 55 L CA 0.954 55.735 54.840 -0.099 0.000 0.749 55 L CB -0.616 41.335 42.059 -0.180 0.000 0.893 55 L HN 0.189 nan 8.230 nan 0.000 0.432 56 N N 0.703 119.268 118.700 -0.224 0.000 2.036 56 N HA -0.235 4.505 4.740 -0.000 0.000 0.195 56 N C 1.590 177.124 175.510 0.041 0.000 1.037 56 N CA 1.813 54.760 53.050 -0.172 0.000 0.855 56 N CB -0.345 38.040 38.487 -0.170 0.000 1.033 56 N HN 0.146 nan 8.380 nan 0.000 0.423 57 F N 0.901 120.889 119.950 0.062 0.000 2.722 57 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 57 F C 2.097 177.942 175.800 0.074 0.000 1.175 57 F CA 0.541 58.615 58.000 0.123 0.000 1.462 57 F CB -0.072 38.950 39.000 0.036 0.000 1.111 57 F HN 0.220 nan 8.300 nan 0.000 0.592 58 Q N -0.487 119.413 119.800 0.167 0.000 2.360 58 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 58 Q C 0.587 176.626 176.000 0.065 0.000 0.915 58 Q CA -0.106 55.757 55.803 0.099 0.000 0.943 58 Q CB 0.226 29.000 28.738 0.061 0.000 1.064 58 Q HN 0.250 nan 8.270 nan 0.000 0.511 59 R N 0.837 121.374 120.500 0.062 0.000 2.585 59 R HA -0.073 4.267 4.340 -0.000 0.000 0.275 59 R C 0.592 176.917 176.300 0.042 0.000 1.018 59 R CA 0.749 56.866 56.100 0.029 0.000 1.072 59 R CB 0.377 30.675 30.300 -0.002 0.000 0.953 59 R HN 0.295 nan 8.270 nan 0.000 0.419 60 E N 1.070 121.284 120.200 0.023 0.000 2.500 60 E HA 0.073 4.423 4.350 -0.000 0.000 0.217 60 E C 0.709 177.320 176.600 0.019 0.000 0.848 60 E CA 0.382 56.798 56.400 0.027 0.000 1.217 60 E CB 0.925 30.639 29.700 0.024 0.000 1.217 60 E HN 0.665 nan 8.360 nan 0.000 0.573 61 A N 0.635 123.458 122.820 0.004 0.000 2.138 61 A HA 0.234 4.554 4.320 -0.000 0.000 0.203 61 A C 0.485 178.059 177.584 -0.016 0.000 1.286 61 A CA -0.217 51.819 52.037 -0.002 0.000 0.929 61 A CB 0.464 19.459 19.000 -0.008 0.000 0.975 61 A HN 0.117 nan 8.150 nan 0.000 0.480 62 L N 1.367 122.569 121.223 -0.034 0.000 2.275 62 L HA 0.596 4.936 4.340 -0.000 0.000 0.288 62 L C -0.748 176.077 176.870 -0.076 0.000 1.046 62 L CA 0.450 55.251 54.840 -0.066 0.000 0.805 62 L CB 1.492 43.493 42.059 -0.097 0.000 1.193 62 L HN 0.043 nan 8.230 nan 0.000 0.426 63 T N 4.654 119.165 114.554 -0.073 0.000 2.797 63 T HA 0.627 4.977 4.350 -0.000 0.000 0.279 63 T C -0.854 173.766 174.700 -0.134 0.000 0.991 63 T CA -0.361 61.696 62.100 -0.071 0.000 0.979 63 T CB 1.370 70.248 68.868 0.016 0.000 0.943 63 T HN 0.360 nan 8.240 nan 0.000 0.444 64 V N 4.997 124.801 119.914 -0.182 0.000 2.407 64 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 64 V C -0.302 175.706 176.094 -0.143 0.000 1.018 64 V CA -1.138 61.024 62.300 -0.231 0.000 0.842 64 V CB 1.248 32.812 31.823 -0.431 0.000 0.996 64 V HN 0.994 nan 8.190 nan 0.000 0.426 65 N N 3.046 121.659 118.700 -0.145 0.000 2.648 65 N HA -0.107 4.633 4.740 -0.000 0.000 0.265 65 N C -2.562 172.870 175.510 -0.130 0.000 1.100 65 N CA 0.233 53.202 53.050 -0.135 0.000 0.715 65 N CB -0.878 37.579 38.487 -0.050 0.000 0.881 65 N HN 0.449 nan 8.380 nan 0.000 0.548 66 P HA 0.224 nan 4.420 nan 0.000 0.272 66 P C -0.251 177.083 177.300 0.056 0.000 1.230 66 P CA -0.179 62.977 63.100 0.093 0.000 0.788 66 P CB 0.651 32.441 31.700 0.150 0.000 0.949 67 A N 2.372 125.372 122.820 0.300 0.000 3.232 67 A HA 0.473 4.793 4.320 -0.000 0.000 0.312 67 A C 0.153 177.868 177.584 0.218 0.000 1.185 67 A CA -0.178 51.989 52.037 0.218 0.000 1.011 67 A CB -0.711 18.408 19.000 0.198 0.000 1.096 67 A HN 0.603 nan 8.150 nan 0.000 0.543 68 K N -1.419 119.037 120.400 0.094 0.000 2.685 68 K HA 0.763 5.083 4.320 -0.000 0.000 0.290 68 K C -0.815 175.781 176.600 -0.006 0.000 1.018 68 K CA -0.484 55.842 56.287 0.065 0.000 0.860 68 K CB 0.789 33.253 32.500 -0.061 0.000 1.498 68 K HN 0.599 nan 8.250 nan 0.000 0.390 69 A N 0.254 123.100 122.820 0.043 0.000 2.395 69 A HA 0.800 5.120 4.320 -0.000 0.000 0.286 69 A C -0.345 177.277 177.584 0.063 0.000 1.208 69 A CA -0.464 51.553 52.037 -0.033 0.000 0.843 69 A CB 0.690 19.596 19.000 -0.157 0.000 1.379 69 A HN 1.153 nan 8.150 nan 0.000 0.449 70 C N -1.250 118.065 119.300 0.024 0.000 2.382 70 C HA 0.511 4.971 4.460 -0.000 0.000 0.363 70 C C 1.493 176.492 174.990 0.015 0.000 1.213 70 C CA -0.382 58.653 59.018 0.028 0.000 2.363 70 C CB 0.267 28.043 27.740 0.060 0.000 2.397 70 C HN 0.940 nan 8.230 nan 0.000 0.573 71 Q N 1.767 121.558 119.800 -0.016 0.000 2.047 71 Q HA -0.172 4.168 4.340 -0.000 0.000 0.211 71 Q C -0.276 175.700 176.000 -0.040 0.000 1.005 71 Q CA 2.595 58.385 55.803 -0.022 0.000 0.866 71 Q CB -1.466 27.245 28.738 -0.046 0.000 0.938 71 Q HN 0.735 nan 8.270 nan 0.000 0.414 72 P HA -0.201 nan 4.420 nan 0.000 0.217 72 P C 1.520 178.509 177.300 -0.518 0.000 1.148 72 P CA 1.072 64.034 63.100 -0.229 0.000 0.834 72 P CB -0.157 31.499 31.700 -0.074 0.000 0.783 73 L N 0.295 121.134 121.223 -0.639 0.000 2.042 73 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 73 L C 2.526 179.554 176.870 0.263 0.000 1.076 73 L CA 2.528 57.145 54.840 -0.372 0.000 0.749 73 L CB -1.549 40.429 42.059 -0.136 0.000 0.893 73 L HN -0.029 nan 8.230 nan 0.000 0.432 74 G N -1.510 107.493 108.800 0.338 0.000 2.408 74 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 74 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 74 G C 1.588 176.690 174.900 0.337 0.000 1.150 74 G CA 0.614 46.079 45.100 0.609 0.000 0.776 74 G HN 0.617 nan 8.290 nan 0.000 0.542 75 A N 0.123 123.019 122.820 0.127 0.000 1.972 75 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 75 A C 2.556 180.148 177.584 0.012 0.000 1.169 75 A CA 1.627 53.669 52.037 0.009 0.000 0.635 75 A CB -0.444 18.555 19.000 -0.002 0.000 0.810 75 A HN 0.233 nan 8.150 nan 0.000 0.446 76 V N -0.437 119.528 119.914 0.084 0.000 2.307 76 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 76 V C 2.458 178.599 176.094 0.078 0.000 1.045 76 V CA 1.847 64.222 62.300 0.127 0.000 1.024 76 V CB -0.623 31.341 31.823 0.236 0.000 0.651 76 V HN 0.598 nan 8.190 nan 0.000 0.449 77 L N 0.034 121.317 121.223 0.100 0.000 2.046 77 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 77 L C 2.462 179.332 176.870 -0.000 0.000 1.077 77 L CA 2.381 57.176 54.840 -0.075 0.000 0.747 77 L CB -0.952 41.054 42.059 -0.088 0.000 0.896 77 L HN 0.488 nan 8.230 nan 0.000 0.432 78 C N -0.553 118.685 119.300 -0.103 0.000 2.429 78 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 78 C C 2.974 177.965 174.990 0.002 0.000 1.262 78 C CA 0.853 59.647 59.018 -0.373 0.000 1.733 78 C CB -1.405 25.642 27.740 -1.155 0.000 2.010 78 C HN 0.674 nan 8.230 nan 0.000 0.483 79 A N 0.226 123.052 122.820 0.009 0.000 1.969 79 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 79 A C 2.134 179.827 177.584 0.183 0.000 1.169 79 A CA 1.478 53.584 52.037 0.114 0.000 0.635 79 A CB -0.683 18.340 19.000 0.038 0.000 0.810 79 A HN 0.683 nan 8.150 nan 0.000 0.445 80 L N -0.578 120.686 121.223 0.069 0.000 2.353 80 L HA -0.098 4.242 4.340 -0.000 0.000 0.220 80 L C 2.409 179.262 176.870 -0.029 0.000 1.133 80 L CA 0.671 55.518 54.840 0.012 0.000 0.798 80 L CB -0.407 41.590 42.059 -0.103 0.000 0.922 80 L HN 0.496 nan 8.230 nan 0.000 0.445 81 G N -0.809 107.973 108.800 -0.030 0.000 2.920 81 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.208 81 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.208 81 G C 0.197 174.832 174.900 -0.441 0.000 1.159 81 G CA -0.177 44.780 45.100 -0.237 0.000 0.784 81 G HN 0.089 nan 8.290 nan 0.000 0.535 82 F N 0.038 119.961 119.950 -0.046 0.000 2.480 82 F HA 0.374 4.901 4.527 -0.000 0.000 0.329 82 F C 0.524 176.287 175.800 -0.063 0.000 1.091 82 F CA -1.627 56.340 58.000 -0.055 0.000 0.972 82 F CB 1.462 40.422 39.000 -0.066 0.000 1.150 82 F HN -0.061 nan 8.300 nan 0.000 0.467 83 E N 2.959 123.188 120.200 0.049 0.000 2.529 83 E HA -0.069 4.281 4.350 -0.000 0.000 0.259 83 E C 0.129 176.689 176.600 -0.066 0.000 0.966 83 E CA 0.178 56.568 56.400 -0.015 0.000 0.937 83 E CB 0.265 29.938 29.700 -0.046 0.000 0.923 83 E HN 0.619 nan 8.360 nan 0.000 0.468 84 K N 2.010 122.326 120.400 -0.139 0.000 3.003 84 K HA -0.195 4.125 4.320 -0.000 0.000 0.257 84 K C -0.925 175.385 176.600 -0.483 0.000 0.958 84 K CA 0.993 56.947 56.287 -0.556 0.000 0.707 84 K CB -1.133 31.066 32.500 -0.501 0.000 1.279 84 K HN 0.468 nan 8.250 nan 0.000 0.479 85 T N 0.813 115.303 114.554 -0.105 0.000 2.829 85 T HA 0.440 4.790 4.350 -0.000 0.000 0.282 85 T C -0.195 174.630 174.700 0.207 0.000 0.990 85 T CA -0.666 61.448 62.100 0.023 0.000 1.028 85 T CB 1.230 70.147 68.868 0.082 0.000 0.951 85 T HN 0.177 nan 8.240 nan 0.000 0.460 86 M N 5.348 125.077 119.600 0.215 0.000 2.066 86 M HA 0.441 4.921 4.480 -0.000 0.000 0.340 86 M C -2.762 173.670 176.300 0.221 0.000 1.053 86 M CA -2.566 52.907 55.300 0.288 0.000 0.983 86 M CB 1.076 33.879 32.600 0.338 0.000 1.520 86 M HN 0.120 nan 8.290 nan 0.000 0.428 87 P HA 0.069 nan 4.420 nan 0.000 0.267 87 P C -2.005 175.442 177.300 0.246 0.000 1.209 87 P CA 0.334 63.542 63.100 0.181 0.000 0.763 87 P CB -0.007 31.789 31.700 0.159 0.000 0.816 88 Y N 4.162 124.528 120.300 0.110 0.000 2.326 88 Y HA 0.446 4.996 4.550 -0.000 0.000 0.331 88 Y C -1.123 174.864 175.900 0.145 0.000 0.962 88 Y CA -0.919 57.258 58.100 0.128 0.000 1.167 88 Y CB 1.318 39.848 38.460 0.117 0.000 1.148 88 Y HN 0.048 nan 8.280 nan 0.000 0.463 89 V N 6.462 126.402 119.914 0.044 0.000 2.311 89 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 89 V C -0.452 175.685 176.094 0.072 0.000 1.022 89 V CA -0.779 61.610 62.300 0.149 0.000 0.830 89 V CB 0.419 32.377 31.823 0.224 0.000 1.012 89 V HN 0.766 nan 8.190 nan 0.000 0.452 90 H N 3.999 123.159 119.070 0.151 0.000 2.955 90 H HA 0.598 5.154 4.556 -0.000 0.000 0.290 90 H C 0.469 175.867 175.328 0.116 0.000 1.047 90 H CA 1.337 57.484 56.048 0.165 0.000 1.484 90 H CB 0.364 30.273 29.762 0.246 0.000 1.501 90 H HN 0.978 nan 8.280 nan 0.000 0.521 91 G N 2.461 111.090 108.800 -0.285 0.000 2.288 91 G HA2 0.019 3.979 3.960 -0.000 0.000 0.227 91 G HA3 0.019 3.979 3.960 -0.000 0.000 0.227 91 G C -0.902 173.922 174.900 -0.126 0.000 1.339 91 G CA -0.440 44.526 45.100 -0.223 0.000 1.057 91 G HN 0.896 nan 8.290 nan 0.000 0.470 92 S N 0.071 115.724 115.700 -0.078 0.000 2.565 92 S HA 0.400 4.870 4.470 -0.000 0.000 0.276 92 S C 1.355 175.894 174.600 -0.103 0.000 1.326 92 S CA 0.627 58.781 58.200 -0.077 0.000 1.045 92 S CB 1.538 64.704 63.200 -0.057 0.000 0.918 92 S HN 1.095 nan 8.310 nan 0.000 0.505 93 Q N 2.420 122.155 119.800 -0.109 0.000 2.297 93 Q HA 0.046 4.386 4.340 -0.000 0.000 0.204 93 Q C 1.822 177.705 176.000 -0.195 0.000 0.962 93 Q CA 1.096 56.818 55.803 -0.134 0.000 0.879 93 Q CB -0.845 27.829 28.738 -0.106 0.000 0.947 93 Q HN 0.852 nan 8.270 nan 0.000 0.462 94 G N 1.096 109.775 108.800 -0.201 0.000 2.450 94 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 94 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 94 G C 1.363 176.032 174.900 -0.384 0.000 1.130 94 G CA 0.960 45.882 45.100 -0.297 0.000 0.760 94 G HN 0.481 nan 8.290 nan 0.000 0.557 95 C N -0.175 118.923 119.300 -0.337 0.000 2.436 95 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 95 C C 3.022 177.387 174.990 -1.041 0.000 1.241 95 C CA 0.765 59.408 59.018 -0.626 0.000 1.721 95 C CB -1.031 26.402 27.740 -0.512 0.000 2.043 95 C HN 0.292 nan 8.230 nan 0.000 0.472 96 V N 1.436 120.998 119.914 -0.586 0.000 2.490 96 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 96 V C 2.680 178.664 176.094 -0.183 0.000 1.061 96 V CA 2.122 64.243 62.300 -0.297 0.000 1.064 96 V CB -1.230 30.545 31.823 -0.080 0.000 0.670 96 V HN 0.623 nan 8.190 nan 0.000 0.461 97 A N -1.152 121.521 122.820 -0.244 0.000 1.933 97 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 97 A C 2.082 179.600 177.584 -0.110 0.000 1.175 97 A CA 1.771 53.693 52.037 -0.190 0.000 0.628 97 A CB -0.621 18.193 19.000 -0.309 0.000 0.814 97 A HN 0.542 nan 8.150 nan 0.000 0.444 98 Y N -1.147 119.033 120.300 -0.201 0.000 2.220 98 Y HA -0.049 4.501 4.550 -0.000 0.000 0.291 98 Y C 2.145 178.064 175.900 0.032 0.000 1.129 98 Y CA 0.439 58.458 58.100 -0.135 0.000 1.161 98 Y CB -0.878 37.444 38.460 -0.231 0.000 0.997 98 Y HN 0.339 nan 8.280 nan 0.000 0.522 99 F N 0.048 120.119 119.950 0.202 0.000 2.134 99 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 99 F C 2.305 178.268 175.800 0.271 0.000 1.097 99 F CA 1.020 59.121 58.000 0.169 0.000 1.264 99 F CB -1.228 37.903 39.000 0.217 0.000 1.001 99 F HN -0.030 nan 8.300 nan 0.000 0.479 100 R N 0.405 121.163 120.500 0.430 0.000 2.070 100 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 100 R C 2.394 178.898 176.300 0.340 0.000 1.137 100 R CA 1.855 58.181 56.100 0.376 0.000 0.945 100 R CB -0.896 29.537 30.300 0.221 0.000 0.845 100 R HN 0.358 nan 8.270 nan 0.000 0.430 101 S N -0.069 115.784 115.700 0.256 0.000 2.423 101 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 101 S C 1.810 176.555 174.600 0.242 0.000 1.014 101 S CA 0.706 59.028 58.200 0.203 0.000 0.965 101 S CB -0.444 62.843 63.200 0.145 0.000 0.785 101 S HN 0.314 nan 8.310 nan 0.000 0.495 102 Y N 1.497 121.880 120.300 0.138 0.000 2.200 102 Y HA 0.066 4.616 4.550 -0.000 0.000 0.290 102 Y C 1.731 177.786 175.900 0.259 0.000 1.137 102 Y CA 0.657 58.820 58.100 0.105 0.000 1.163 102 Y CB -0.516 37.957 38.460 0.022 0.000 0.988 102 Y HN 0.230 nan 8.280 nan 0.000 0.518 103 F N -0.085 120.165 119.950 0.500 0.000 2.293 103 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 103 F C 2.068 178.113 175.800 0.409 0.000 1.089 103 F CA 1.223 59.526 58.000 0.506 0.000 1.377 103 F CB -1.152 38.183 39.000 0.558 0.000 1.051 103 F HN 0.077 nan 8.300 nan 0.000 0.511 104 N N 0.051 119.024 118.700 0.456 0.000 2.104 104 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 104 N C 1.821 177.440 175.510 0.182 0.000 1.024 104 N CA 1.207 54.421 53.050 0.273 0.000 0.853 104 N CB -0.147 38.438 38.487 0.164 0.000 1.008 104 N HN 0.194 nan 8.380 nan 0.000 0.424 105 R N -0.733 119.844 120.500 0.128 0.000 2.148 105 R HA -0.120 4.220 4.340 -0.000 0.000 0.227 105 R C 1.866 178.286 176.300 0.200 0.000 1.103 105 R CA 1.048 57.164 56.100 0.027 0.000 0.983 105 R CB -0.156 29.911 30.300 -0.388 0.000 0.874 105 R HN 0.435 nan 8.270 nan 0.000 0.451 106 H N -0.795 118.357 119.070 0.137 0.000 2.370 106 H HA 0.028 4.584 4.556 -0.000 0.000 0.304 106 H C 1.101 176.169 175.328 -0.433 0.000 1.055 106 H CA 1.340 57.287 56.048 -0.169 0.000 1.373 106 H CB 0.149 29.719 29.762 -0.320 0.000 1.423 106 H HN 0.028 nan 8.280 nan 0.000 0.533 107 F N 0.216 120.087 119.950 -0.131 0.000 2.698 107 F HA 0.271 4.798 4.527 -0.000 0.000 0.295 107 F C 0.817 176.356 175.800 -0.435 0.000 1.124 107 F CA 0.344 58.018 58.000 -0.543 0.000 1.426 107 F CB 0.118 39.029 39.000 -0.148 0.000 1.120 107 F HN -0.039 nan 8.300 nan 0.000 0.583 108 R N 1.116 121.601 120.500 -0.027 0.000 3.333 108 R HA -0.174 4.166 4.340 -0.000 0.000 0.256 108 R C -0.717 175.626 176.300 0.071 0.000 1.010 108 R CA 0.429 56.525 56.100 -0.006 0.000 0.680 108 R CB -1.623 28.626 30.300 -0.085 0.000 1.102 108 R HN 0.217 nan 8.270 nan 0.000 0.440 109 E N -0.882 119.390 120.200 0.119 0.000 2.445 109 E HA 0.494 4.844 4.350 -0.000 0.000 0.273 109 E C -2.563 174.102 176.600 0.108 0.000 0.961 109 E CA -2.201 54.265 56.400 0.110 0.000 0.807 109 E CB 1.586 31.342 29.700 0.093 0.000 1.362 109 E HN -0.155 nan 8.360 nan 0.000 0.453 110 P HA 0.333 nan 4.420 nan 0.000 0.284 110 P C -0.981 176.382 177.300 0.104 0.000 1.258 110 P CA -0.456 62.702 63.100 0.097 0.000 0.824 110 P CB 0.865 32.658 31.700 0.156 0.000 1.038 111 V N 1.997 121.978 119.914 0.112 0.000 2.447 111 V HA 0.249 4.369 4.120 -0.000 0.000 0.292 111 V C -0.323 175.827 176.094 0.094 0.000 1.021 111 V CA -0.381 61.987 62.300 0.113 0.000 0.850 111 V CB 1.758 33.719 31.823 0.231 0.000 1.005 111 V HN 0.424 nan 8.190 nan 0.000 0.426 112 S N 3.558 119.284 115.700 0.043 0.000 2.438 112 S HA 0.617 5.087 4.470 -0.000 0.000 0.293 112 S C -0.450 174.171 174.600 0.036 0.000 1.141 112 S CA -0.369 57.827 58.200 -0.007 0.000 1.080 112 S CB 1.066 64.201 63.200 -0.108 0.000 0.978 112 S HN 0.888 nan 8.310 nan 0.000 0.479 113 C N 4.194 123.516 119.300 0.037 0.000 2.985 113 C HA 0.754 5.214 4.460 -0.000 0.000 0.332 113 C C -0.722 174.286 174.990 0.031 0.000 1.164 113 C CA -0.229 58.843 59.018 0.091 0.000 1.347 113 C CB 0.674 28.532 27.740 0.196 0.000 1.764 113 C HN 0.668 nan 8.230 nan 0.000 0.489 114 V N 3.429 123.363 119.914 0.032 0.000 2.960 114 V HA 0.888 5.008 4.120 -0.000 0.000 0.315 114 V C -0.016 175.980 176.094 -0.164 0.000 1.087 114 V CA -0.068 62.208 62.300 -0.040 0.000 0.982 114 V CB 2.342 34.183 31.823 0.030 0.000 1.039 114 V HN 1.022 nan 8.190 nan 0.000 0.437 115 S N 0.741 116.319 115.700 -0.203 0.000 2.599 115 S HA 0.489 4.959 4.470 -0.000 0.000 0.294 115 S C -0.422 174.006 174.600 -0.286 0.000 1.094 115 S CA -0.354 57.688 58.200 -0.263 0.000 0.931 115 S CB 1.839 64.957 63.200 -0.136 0.000 1.093 115 S HN 0.902 nan 8.310 nan 0.000 0.488 116 D N 0.745 120.993 120.400 -0.252 0.000 2.388 116 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 116 D C -0.034 176.254 176.300 -0.020 0.000 1.133 116 D CA -0.259 53.699 54.000 -0.070 0.000 0.831 116 D CB -0.399 40.480 40.800 0.133 0.000 0.962 116 D HN 0.387 nan 8.370 nan 0.000 0.502 117 S N 0.205 115.870 115.700 -0.058 0.000 3.231 117 S HA -0.255 4.215 4.470 -0.000 0.000 0.334 117 S C 0.208 174.791 174.600 -0.028 0.000 0.910 117 S CA 0.229 58.402 58.200 -0.046 0.000 1.342 117 S CB -1.498 61.684 63.200 -0.031 0.000 0.950 117 S HN 0.511 nan 8.310 nan 0.000 0.526 118 M N 2.257 121.830 119.600 -0.046 0.000 2.162 118 M HA 0.193 4.673 4.480 -0.000 0.000 0.356 118 M C 1.199 177.486 176.300 -0.021 0.000 1.303 118 M CA 0.027 55.310 55.300 -0.029 0.000 1.116 118 M CB 0.749 33.308 32.600 -0.069 0.000 1.632 118 M HN 0.658 nan 8.290 nan 0.000 0.469 119 T N -1.526 113.028 114.554 0.000 0.000 2.855 119 T HA 0.343 4.693 4.350 -0.000 0.000 0.275 119 T C 1.055 175.762 174.700 0.011 0.000 1.022 119 T CA -0.803 61.298 62.100 0.001 0.000 0.977 119 T CB 0.885 69.756 68.868 0.006 0.000 1.559 119 T HN 0.577 nan 8.240 nan 0.000 0.600 120 E N 1.367 121.573 120.200 0.011 0.000 2.048 120 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 120 E C 1.933 178.548 176.600 0.025 0.000 1.021 120 E CA 2.141 58.547 56.400 0.009 0.000 0.825 120 E CB -0.474 29.231 29.700 0.008 0.000 0.756 120 E HN 0.866 nan 8.360 nan 0.000 0.454 121 D N -0.212 120.230 120.400 0.070 0.000 2.264 121 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 121 D C 1.600 178.019 176.300 0.199 0.000 0.966 121 D CA 1.134 55.230 54.000 0.159 0.000 0.864 121 D CB -0.060 40.881 40.800 0.234 0.000 0.933 121 D HN 0.107 nan 8.370 nan 0.000 0.499 122 A N 0.849 123.740 122.820 0.118 0.000 2.021 122 A HA 0.360 4.680 4.320 -0.000 0.000 0.216 122 A C 2.414 180.049 177.584 0.085 0.000 1.163 122 A CA 1.126 53.233 52.037 0.117 0.000 0.676 122 A CB -0.375 18.670 19.000 0.075 0.000 0.818 122 A HN 0.331 nan 8.150 nan 0.000 0.453 123 A N -0.524 122.319 122.820 0.037 0.000 2.014 123 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 123 A C 2.092 179.662 177.584 -0.024 0.000 1.163 123 A CA 1.634 53.679 52.037 0.012 0.000 0.652 123 A CB -0.470 18.526 19.000 -0.007 0.000 0.808 123 A HN 0.303 nan 8.150 nan 0.000 0.449 124 V N -1.904 117.959 119.914 -0.084 0.000 2.331 124 V HA -0.063 4.057 4.120 -0.000 0.000 0.242 124 V C 1.890 177.795 176.094 -0.314 0.000 1.034 124 V CA 1.451 63.590 62.300 -0.268 0.000 1.027 124 V CB -0.757 30.778 31.823 -0.479 0.000 0.667 124 V HN 0.543 nan 8.190 nan 0.000 0.457 125 F N 0.649 120.612 119.950 0.021 0.000 2.765 125 F HA 0.537 5.064 4.527 -0.000 0.000 0.302 125 F C 1.282 177.100 175.800 0.030 0.000 1.111 125 F CA 0.568 58.578 58.000 0.018 0.000 1.359 125 F CB -0.309 38.691 39.000 -0.000 0.000 1.097 125 F HN 0.291 nan 8.300 nan 0.000 0.577 126 G N -0.255 108.659 108.800 0.190 0.000 2.662 126 G HA2 0.116 4.076 3.960 -0.000 0.000 0.686 126 G HA3 0.116 4.076 3.960 -0.000 0.000 0.686 126 G C 0.351 175.360 174.900 0.183 0.000 1.271 126 G CA -0.683 44.540 45.100 0.205 0.000 0.816 126 G HN 0.478 nan 8.290 nan 0.000 0.608 127 G N -0.788 108.196 108.800 0.308 0.000 3.959 127 G HA2 0.418 4.378 3.960 -0.000 0.000 0.298 127 G HA3 0.418 4.378 3.960 -0.000 0.000 0.298 127 G C 0.829 175.801 174.900 0.119 0.000 1.211 127 G CA 1.052 46.333 45.100 0.303 0.000 1.001 127 G HN 0.845 nan 8.290 nan 0.000 0.561 128 Q N -0.502 119.031 119.800 -0.446 0.000 2.083 128 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 128 Q C 2.387 178.134 176.000 -0.422 0.000 0.969 128 Q CA 0.857 56.117 55.803 -0.905 0.000 0.838 128 Q CB 0.058 28.088 28.738 -1.180 0.000 0.900 128 Q HN 0.324 nan 8.270 nan 0.000 0.436 129 Q N 0.698 120.333 119.800 -0.275 0.000 2.050 129 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 129 Q C 1.689 177.595 176.000 -0.157 0.000 0.980 129 Q CA 1.748 57.413 55.803 -0.229 0.000 0.840 129 Q CB -0.369 28.284 28.738 -0.141 0.000 0.898 129 Q HN 0.444 nan 8.270 nan 0.000 0.424 130 N N 0.153 118.833 118.700 -0.035 0.000 2.137 130 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 130 N C 1.533 177.107 175.510 0.107 0.000 1.017 130 N CA 1.612 54.698 53.050 0.060 0.000 0.859 130 N CB -0.229 38.338 38.487 0.135 0.000 1.002 130 N HN 0.156 nan 8.380 nan 0.000 0.428 131 M N 0.876 120.521 119.600 0.075 0.000 2.123 131 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 131 M C 1.456 177.690 176.300 -0.110 0.000 1.069 131 M CA 1.571 56.906 55.300 0.058 0.000 1.133 131 M CB 0.053 32.646 32.600 -0.011 0.000 1.356 131 M HN -0.067 nan 8.290 nan 0.000 0.415 132 K N -0.047 120.152 120.400 -0.334 0.000 2.002 132 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 132 K C 1.745 178.068 176.600 -0.461 0.000 1.048 132 K CA 1.735 57.596 56.287 -0.709 0.000 0.930 132 K CB -0.448 31.153 32.500 -1.499 0.000 0.714 132 K HN 0.395 nan 8.250 nan 0.000 0.438 133 D N -0.081 120.149 120.400 -0.284 0.000 2.178 133 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 133 D C 1.973 178.320 176.300 0.079 0.000 0.974 133 D CA 1.187 55.184 54.000 -0.005 0.000 0.841 133 D CB -0.209 40.600 40.800 0.015 0.000 0.953 133 D HN 0.365 nan 8.370 nan 0.000 0.478 134 G N 1.152 110.016 108.800 0.106 0.000 2.433 134 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 134 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 134 G C 1.828 176.901 174.900 0.290 0.000 1.186 134 G CA 0.182 45.437 45.100 0.257 0.000 0.779 134 G HN 0.219 nan 8.290 nan 0.000 0.543 135 L N 0.027 121.326 121.223 0.125 0.000 2.083 135 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 135 L C 2.983 179.862 176.870 0.016 0.000 1.083 135 L CA 1.538 56.374 54.840 -0.008 0.000 0.752 135 L CB -0.390 41.590 42.059 -0.131 0.000 0.899 135 L HN 0.359 nan 8.230 nan 0.000 0.433 136 Q N 0.226 120.066 119.800 0.068 0.000 2.046 136 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 136 Q C 2.002 178.032 176.000 0.049 0.000 0.975 136 Q CA 1.720 57.562 55.803 0.065 0.000 0.836 136 Q CB 0.092 28.942 28.738 0.187 0.000 0.896 136 Q HN 0.448 nan 8.270 nan 0.000 0.428 137 N N 0.387 119.142 118.700 0.092 0.000 2.104 137 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 137 N C 1.918 177.486 175.510 0.095 0.000 1.024 137 N CA 1.348 54.447 53.050 0.081 0.000 0.853 137 N CB -0.999 37.549 38.487 0.102 0.000 1.008 137 N HN 0.375 nan 8.380 nan 0.000 0.424 138 C N 1.548 120.958 119.300 0.183 0.000 2.436 138 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 138 C C 2.665 177.774 174.990 0.197 0.000 1.241 138 C CA 0.923 60.116 59.018 0.291 0.000 1.721 138 C CB -0.897 27.073 27.740 0.382 0.000 2.043 138 C HN 0.443 nan 8.230 nan 0.000 0.472 139 K N 0.416 120.856 120.400 0.066 0.000 2.032 139 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 139 K C 2.165 178.751 176.600 -0.022 0.000 1.048 139 K CA 1.864 58.125 56.287 -0.043 0.000 0.927 139 K CB -0.411 31.891 32.500 -0.330 0.000 0.712 139 K HN 0.546 nan 8.250 nan 0.000 0.441 140 A N 0.217 123.013 122.820 -0.040 0.000 1.898 140 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 140 A C 2.166 179.707 177.584 -0.071 0.000 1.181 140 A CA 2.111 54.120 52.037 -0.047 0.000 0.620 140 A CB -0.851 18.122 19.000 -0.045 0.000 0.819 140 A HN 0.450 nan 8.150 nan 0.000 0.442 141 T N -1.650 112.825 114.554 -0.132 0.000 2.809 141 T HA -0.034 4.316 4.350 -0.000 0.000 0.260 141 T C 1.202 175.620 174.700 -0.469 0.000 1.039 141 T CA 1.485 63.369 62.100 -0.360 0.000 1.141 141 T CB -0.314 68.203 68.868 -0.586 0.000 0.869 141 T HN 0.533 nan 8.240 nan 0.000 0.437 142 Y N 0.699 121.079 120.300 0.135 0.000 2.507 142 Y HA 0.388 4.938 4.550 -0.000 0.000 0.254 142 Y C 0.442 176.489 175.900 0.245 0.000 1.171 142 Y CA -1.011 57.207 58.100 0.195 0.000 1.238 142 Y CB -0.188 38.411 38.460 0.231 0.000 1.148 142 Y HN -0.014 nan 8.280 nan 0.000 0.525 143 K N 0.324 120.858 120.400 0.224 0.000 3.415 143 K HA -0.207 4.113 4.320 -0.000 0.000 0.271 143 K C -2.779 173.918 176.600 0.161 0.000 0.876 143 K CA 0.374 56.763 56.287 0.170 0.000 0.670 143 K CB -1.486 31.088 32.500 0.123 0.000 1.510 143 K HN 0.327 nan 8.250 nan 0.000 0.455 144 P HA 0.165 nan 4.420 nan 0.000 0.278 144 P C -0.321 177.021 177.300 0.070 0.000 1.266 144 P CA -0.344 62.730 63.100 -0.043 0.000 0.807 144 P CB 0.945 32.719 31.700 0.124 0.000 1.094 145 D N -0.572 119.758 120.400 -0.117 0.000 2.360 145 D HA 0.201 4.841 4.640 -0.000 0.000 0.210 145 D C 0.637 176.728 176.300 -0.348 0.000 1.047 145 D CA 0.847 54.784 54.000 -0.104 0.000 0.854 145 D CB 0.304 41.019 40.800 -0.141 0.000 0.936 145 D HN 0.325 nan 8.370 nan 0.000 0.514 146 M N 0.205 119.641 119.600 -0.272 0.000 2.562 146 M HA 0.342 4.822 4.480 -0.000 0.000 0.281 146 M C -2.172 174.070 176.300 -0.097 0.000 1.195 146 M CA -0.473 54.586 55.300 -0.401 0.000 0.888 146 M CB 2.332 34.772 32.600 -0.268 0.000 1.731 146 M HN -0.319 nan 8.290 nan 0.000 0.493 147 I N 3.201 123.722 120.570 -0.082 0.000 2.439 147 I HA 0.563 4.733 4.170 -0.000 0.000 0.283 147 I C -0.446 175.623 176.117 -0.080 0.000 1.023 147 I CA -0.733 60.596 61.300 0.048 0.000 1.100 147 I CB 1.956 40.050 38.000 0.157 0.000 1.238 147 I HN 0.795 nan 8.210 nan 0.000 0.445 148 A N 6.996 129.791 122.820 -0.040 0.000 2.269 148 A HA 0.659 4.979 4.320 -0.000 0.000 0.302 148 A C -0.369 177.232 177.584 0.028 0.000 1.266 148 A CA -0.383 51.597 52.037 -0.095 0.000 0.894 148 A CB 0.516 19.443 19.000 -0.122 0.000 1.147 148 A HN 0.455 nan 8.150 nan 0.000 0.537 149 V N 3.537 123.458 119.914 0.013 0.000 2.407 149 V HA 0.562 4.682 4.120 -0.000 0.000 0.278 149 V C 0.575 176.741 176.094 0.119 0.000 1.037 149 V CA 0.159 62.538 62.300 0.132 0.000 0.900 149 V CB 0.980 32.837 31.823 0.055 0.000 0.983 149 V HN 1.100 nan 8.190 nan 0.000 0.459 150 S N 3.080 118.885 115.700 0.174 0.000 2.745 150 S HA 0.900 5.370 4.470 -0.000 0.000 0.306 150 S C -0.293 174.419 174.600 0.187 0.000 1.137 150 S CA -0.438 57.836 58.200 0.124 0.000 0.900 150 S CB 2.307 65.564 63.200 0.095 0.000 1.176 150 S HN 0.850 nan 8.310 nan 0.000 0.520 151 T N -1.973 112.677 114.554 0.159 0.000 2.916 151 T HA 0.690 5.040 4.350 -0.000 0.000 0.292 151 T C -0.350 174.457 174.700 0.177 0.000 1.055 151 T CA -0.602 61.613 62.100 0.191 0.000 1.009 151 T CB 1.369 70.360 68.868 0.204 0.000 1.118 151 T HN 0.597 nan 8.240 nan 0.000 0.497 152 T N 0.716 115.369 114.554 0.164 0.000 2.927 152 T HA 0.305 4.655 4.350 -0.000 0.000 0.281 152 T C 1.788 176.577 174.700 0.149 0.000 0.998 152 T CA -0.506 61.691 62.100 0.163 0.000 1.019 152 T CB 0.469 69.395 68.868 0.097 0.000 1.061 152 T HN 1.002 nan 8.240 nan 0.000 0.518 153 C N 1.849 121.253 119.300 0.172 0.000 2.411 153 C HA -0.064 4.396 4.460 -0.000 0.000 0.279 153 C C 2.606 177.747 174.990 0.251 0.000 1.288 153 C CA 0.276 59.458 59.018 0.274 0.000 1.764 153 C CB -1.501 26.457 27.740 0.364 0.000 1.974 153 C HN 0.902 nan 8.230 nan 0.000 0.498 154 M N 2.528 122.213 119.600 0.142 0.000 2.065 154 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 154 M C 2.516 178.873 176.300 0.096 0.000 1.069 154 M CA 2.495 57.849 55.300 0.090 0.000 1.110 154 M CB -0.507 32.114 32.600 0.034 0.000 1.328 154 M HN 0.419 nan 8.290 nan 0.000 0.405 155 A N 0.037 122.907 122.820 0.082 0.000 2.019 155 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 155 A C 1.835 179.525 177.584 0.178 0.000 1.164 155 A CA 1.551 53.654 52.037 0.111 0.000 0.644 155 A CB -0.580 18.471 19.000 0.084 0.000 0.805 155 A HN 0.617 nan 8.150 nan 0.000 0.449 156 E N -0.303 120.022 120.200 0.210 0.000 2.112 156 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 156 E C 2.201 178.955 176.600 0.257 0.000 0.979 156 E CA 1.008 57.557 56.400 0.249 0.000 0.814 156 E CB -0.448 29.417 29.700 0.275 0.000 0.762 156 E HN 0.388 nan 8.360 nan 0.000 0.460 157 V N 2.536 122.589 119.914 0.230 0.000 2.270 157 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 157 V C 2.435 178.566 176.094 0.062 0.000 1.043 157 V CA 1.760 64.118 62.300 0.096 0.000 1.014 157 V CB -0.609 31.223 31.823 0.015 0.000 0.645 157 V HN 0.347 nan 8.190 nan 0.000 0.447 158 I N -0.494 120.120 120.570 0.072 0.000 3.444 158 I HA 0.300 4.470 4.170 -0.000 0.000 0.287 158 I C 1.310 177.469 176.117 0.070 0.000 1.302 158 I CA 0.743 62.079 61.300 0.061 0.000 1.368 158 I CB -1.109 36.932 38.000 0.068 0.000 1.048 158 I HN 0.393 nan 8.210 nan 0.000 0.487 159 G N 2.231 111.073 108.800 0.069 0.000 2.366 159 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.299 159 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.299 159 G C -0.326 174.586 174.900 0.021 0.000 1.020 159 G CA 0.464 45.583 45.100 0.031 0.000 1.026 159 G HN 0.583 nan 8.290 nan 0.000 0.512 160 D N 0.253 120.692 120.400 0.065 0.000 2.450 160 D HA 0.263 4.903 4.640 -0.000 0.000 0.247 160 D C 0.431 176.516 176.300 -0.359 0.000 1.162 160 D CA 0.125 54.105 54.000 -0.034 0.000 0.879 160 D CB 0.770 41.711 40.800 0.235 0.000 1.163 160 D HN 0.234 nan 8.370 nan 0.000 0.472 161 D N 3.530 123.448 120.400 -0.804 0.000 2.393 161 D HA 0.048 4.688 4.640 -0.000 0.000 0.232 161 D C 1.255 176.916 176.300 -1.065 0.000 1.192 161 D CA -0.232 53.364 54.000 -0.673 0.000 0.882 161 D CB 0.430 40.996 40.800 -0.390 0.000 1.038 161 D HN 0.345 nan 8.370 nan 0.000 0.499 162 L N 3.487 124.306 121.223 -0.673 0.000 2.012 162 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 162 L C 2.363 178.733 176.870 -0.833 0.000 1.073 162 L CA 0.852 55.236 54.840 -0.760 0.000 0.748 162 L CB -0.455 41.166 42.059 -0.729 0.000 0.891 162 L HN 0.518 nan 8.230 nan 0.000 0.431 163 N N 0.302 118.435 118.700 -0.946 0.000 2.069 163 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 163 N C 1.827 177.142 175.510 -0.325 0.000 1.031 163 N CA 1.535 54.116 53.050 -0.783 0.000 0.852 163 N CB 0.098 38.327 38.487 -0.431 0.000 1.018 163 N HN 0.335 nan 8.380 nan 0.000 0.423 164 A N 0.238 122.929 122.820 -0.214 0.000 1.969 164 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 164 A C 1.747 179.434 177.584 0.171 0.000 1.169 164 A CA 0.736 52.771 52.037 -0.003 0.000 0.635 164 A CB -0.559 18.477 19.000 0.061 0.000 0.810 164 A HN 0.300 nan 8.150 nan 0.000 0.445 165 F N 0.000 119.839 119.950 -0.185 0.000 2.128 165 F HA 0.011 4.538 4.527 -0.000 0.000 0.295 165 F C 2.200 177.888 175.800 -0.188 0.000 1.100 165 F CA 0.067 57.957 58.000 -0.183 0.000 1.260 165 F CB -1.054 37.803 39.000 -0.238 0.000 1.009 165 F HN 0.116 nan 8.300 nan 0.000 0.476 166 I N 0.252 120.803 120.570 -0.031 0.000 2.142 166 I HA -0.352 3.818 4.170 -0.000 0.000 0.240 166 I C 2.062 178.168 176.117 -0.019 0.000 1.078 166 I CA 1.579 62.833 61.300 -0.078 0.000 1.343 166 I CB -0.664 37.241 38.000 -0.158 0.000 1.046 166 I HN 0.188 nan 8.210 nan 0.000 0.405 167 N N 0.848 119.537 118.700 -0.018 0.000 2.104 167 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 167 N C 1.514 177.044 175.510 0.032 0.000 1.024 167 N CA 1.215 54.273 53.050 0.015 0.000 0.853 167 N CB -0.170 38.322 38.487 0.008 0.000 1.008 167 N HN 0.381 nan 8.380 nan 0.000 0.424 168 N N 0.434 119.154 118.700 0.033 0.000 2.270 168 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 168 N C 1.588 177.131 175.510 0.055 0.000 1.016 168 N CA 0.583 53.654 53.050 0.035 0.000 0.870 168 N CB -0.179 38.315 38.487 0.011 0.000 0.979 168 N HN 0.087 nan 8.380 nan 0.000 0.431 169 S N 1.022 116.737 115.700 0.025 0.000 2.382 169 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 169 S C 1.808 176.515 174.600 0.179 0.000 1.027 169 S CA 1.018 59.256 58.200 0.064 0.000 0.991 169 S CB 0.120 63.299 63.200 -0.035 0.000 0.823 169 S HN 0.364 nan 8.310 nan 0.000 0.469 170 K N 1.021 121.482 120.400 0.102 0.000 2.031 170 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 170 K C 2.219 178.867 176.600 0.080 0.000 1.049 170 K CA 0.920 57.262 56.287 0.091 0.000 0.939 170 K CB -0.156 32.389 32.500 0.076 0.000 0.717 170 K HN 0.142 nan 8.250 nan 0.000 0.438 171 K N 1.655 122.098 120.400 0.071 0.000 2.152 171 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 171 K C 0.980 177.614 176.600 0.057 0.000 1.048 171 K CA 1.475 57.795 56.287 0.054 0.000 0.933 171 K CB 0.164 32.692 32.500 0.046 0.000 0.721 171 K HN 0.136 nan 8.250 nan 0.000 0.447 172 E N -1.118 119.149 120.200 0.111 0.000 2.444 172 E HA 0.095 4.445 4.350 -0.000 0.000 0.191 172 E C 0.402 176.978 176.600 -0.040 0.000 1.041 172 E CA 0.272 56.733 56.400 0.102 0.000 0.883 172 E CB 0.639 30.503 29.700 0.274 0.000 1.024 172 E HN 0.542 nan 8.360 nan 0.000 0.470 173 G N 0.824 109.608 108.800 -0.026 0.000 2.155 173 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 173 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 173 G C 0.549 175.323 174.900 -0.210 0.000 0.983 173 G CA 0.259 45.283 45.100 -0.127 0.000 0.676 173 G HN 0.358 nan 8.290 nan 0.000 0.528 174 F N 0.573 120.496 119.950 -0.045 0.000 2.325 174 F HA 0.310 4.837 4.527 -0.000 0.000 0.299 174 F C 1.753 177.499 175.800 -0.090 0.000 1.090 174 F CA 1.525 59.490 58.000 -0.058 0.000 1.392 174 F CB 0.105 39.074 39.000 -0.052 0.000 1.053 174 F HN 0.498 nan 8.300 nan 0.000 0.521 175 I N -4.617 115.988 120.570 0.058 0.000 2.918 175 I HA 0.477 4.647 4.170 -0.000 0.000 0.301 175 I C -3.026 173.085 176.117 -0.008 0.000 1.312 175 I CA -2.677 58.588 61.300 -0.058 0.000 1.007 175 I CB 1.728 39.651 38.000 -0.129 0.000 1.281 175 I HN -0.413 nan 8.210 nan 0.000 0.440 176 P HA 0.065 nan 4.420 nan 0.000 0.266 176 P C -0.074 177.293 177.300 0.112 0.000 1.195 176 P CA 0.225 63.358 63.100 0.056 0.000 0.768 176 P CB 0.658 32.407 31.700 0.082 0.000 0.838 177 D N 2.457 122.908 120.400 0.084 0.000 2.158 177 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 177 D C 1.377 177.747 176.300 0.115 0.000 0.995 177 D CA 1.308 55.360 54.000 0.087 0.000 0.846 177 D CB 0.094 40.927 40.800 0.055 0.000 0.941 177 D HN 0.425 nan 8.370 nan 0.000 0.456 178 E N -0.093 120.181 120.200 0.124 0.000 2.489 178 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 178 E C 0.057 176.762 176.600 0.175 0.000 1.057 178 E CA -0.376 56.101 56.400 0.127 0.000 0.866 178 E CB -1.037 28.718 29.700 0.092 0.000 0.916 178 E HN 0.374 nan 8.360 nan 0.000 0.500 179 F N 4.993 124.978 119.950 0.059 0.000 2.541 179 F HA 0.173 4.700 4.527 -0.000 0.000 0.378 179 F C -1.926 173.898 175.800 0.041 0.000 1.068 179 F CA -2.552 55.475 58.000 0.044 0.000 1.199 179 F CB 0.616 39.626 39.000 0.017 0.000 1.091 179 F HN -0.168 nan 8.300 nan 0.000 0.555 180 P HA 0.005 nan 4.420 nan 0.000 0.264 180 P C -0.834 176.062 177.300 -0.673 0.000 1.229 180 P CA 0.180 62.987 63.100 -0.489 0.000 0.780 180 P CB 0.990 32.506 31.700 -0.307 0.000 0.808 181 V N 6.502 126.006 119.914 -0.684 0.000 2.320 181 V HA 0.196 4.316 4.120 -0.000 0.000 0.257 181 V C -1.806 173.949 176.094 -0.565 0.000 0.996 181 V CA -1.730 60.313 62.300 -0.429 0.000 0.928 181 V CB 0.963 32.731 31.823 -0.091 0.000 1.169 181 V HN 0.505 nan 8.190 nan 0.000 0.475 182 P HA 0.381 nan 4.420 nan 0.000 0.272 182 P C -0.783 176.384 177.300 -0.223 0.000 1.240 182 P CA 0.128 62.846 63.100 -0.637 0.000 0.791 182 P CB 1.037 32.301 31.700 -0.726 0.000 0.978 183 F N -2.301 117.481 119.950 -0.281 0.000 2.686 183 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 183 F C -1.933 173.726 175.800 -0.236 0.000 1.128 183 F CA -1.421 56.435 58.000 -0.239 0.000 0.946 183 F CB 1.002 39.860 39.000 -0.237 0.000 1.336 183 F HN 0.552 nan 8.300 nan 0.000 0.457 184 A N 0.733 123.507 122.820 -0.077 0.000 2.589 184 A HA 0.583 4.903 4.320 -0.000 0.000 0.296 184 A C -2.111 175.416 177.584 -0.095 0.000 1.062 184 A CA -0.724 51.222 52.037 -0.152 0.000 0.686 184 A CB 1.049 19.952 19.000 -0.162 0.000 1.282 184 A HN 0.917 nan 8.150 nan 0.000 0.404 185 H N 2.042 121.158 119.070 0.077 0.000 2.723 185 H HA 0.416 4.972 4.556 -0.000 0.000 0.294 185 H C -0.029 175.303 175.328 0.006 0.000 1.079 185 H CA 1.083 57.167 56.048 0.060 0.000 1.411 185 H CB 1.052 30.847 29.762 0.054 0.000 1.439 185 H HN 0.666 nan 8.280 nan 0.000 0.474 186 T N 1.658 116.267 114.554 0.091 0.000 3.241 186 T HA 0.286 4.636 4.350 -0.000 0.000 0.387 186 T C -2.929 171.729 174.700 -0.070 0.000 1.451 186 T CA -2.247 59.859 62.100 0.011 0.000 1.363 186 T CB 0.810 69.689 68.868 0.019 0.000 1.074 186 T HN 0.157 nan 8.240 nan 0.000 0.598 187 P HA 0.124 nan 4.420 nan 0.000 0.265 187 P C 1.079 177.999 177.300 -0.633 0.000 1.222 187 P CA -0.103 62.596 63.100 -0.668 0.000 0.767 187 P CB 0.552 31.737 31.700 -0.858 0.000 0.801 188 S N 2.566 118.010 115.700 -0.426 0.000 2.500 188 S HA -0.161 4.309 4.470 -0.000 0.000 0.239 188 S C 1.005 175.549 174.600 -0.092 0.000 0.989 188 S CA 0.809 58.928 58.200 -0.134 0.000 0.951 188 S CB -1.077 62.171 63.200 0.079 0.000 0.759 188 S HN 0.534 nan 8.310 nan 0.000 0.523 189 F N 0.411 120.381 119.950 0.033 0.000 2.660 189 F HA 0.659 5.186 4.527 -0.000 0.000 0.302 189 F C -0.082 175.727 175.800 0.015 0.000 1.103 189 F CA -1.018 56.993 58.000 0.019 0.000 1.340 189 F CB -0.325 38.686 39.000 0.019 0.000 1.048 189 F HN -0.102 nan 8.300 nan 0.000 0.551 190 V N 0.593 120.435 119.914 -0.120 0.000 2.709 190 V HA 0.778 4.898 4.120 -0.000 0.000 0.308 190 V C 0.692 176.748 176.094 -0.064 0.000 1.062 190 V CA -0.628 61.639 62.300 -0.054 0.000 0.901 190 V CB 0.819 32.584 31.823 -0.097 0.000 1.003 190 V HN 0.613 nan 8.190 nan 0.000 0.425 191 G N 4.484 113.266 108.800 -0.031 0.000 2.582 191 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.288 191 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.288 191 G C 0.184 175.031 174.900 -0.088 0.000 1.247 191 G CA 0.794 45.862 45.100 -0.053 0.000 0.972 191 G HN 1.969 nan 8.290 nan 0.000 0.557 192 S N -2.564 113.059 115.700 -0.129 0.000 2.819 192 S HA 0.615 5.085 4.470 -0.000 0.000 0.299 192 S C 1.220 175.704 174.600 -0.193 0.000 1.192 192 S CA 0.682 58.794 58.200 -0.145 0.000 0.847 192 S CB 0.839 63.915 63.200 -0.208 0.000 1.224 192 S HN 1.840 nan 8.310 nan 0.000 0.537 193 H N 0.979 119.949 119.070 -0.166 0.000 2.394 193 H HA -0.106 4.450 4.556 -0.000 0.000 0.297 193 H C 2.192 177.427 175.328 -0.155 0.000 1.113 193 H CA 2.302 58.251 56.048 -0.165 0.000 1.277 193 H CB -1.592 28.021 29.762 -0.248 0.000 1.370 193 H HN 0.647 nan 8.280 nan 0.000 0.506 194 V N -0.116 119.256 119.914 -0.904 0.000 2.490 194 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 194 V C 2.218 178.233 176.094 -0.132 0.000 1.061 194 V CA 2.072 63.999 62.300 -0.621 0.000 1.064 194 V CB -1.284 29.952 31.823 -0.979 0.000 0.670 194 V HN 0.398 nan 8.190 nan 0.000 0.461 195 T N 1.033 115.520 114.554 -0.112 0.000 2.915 195 T HA 0.053 4.403 4.350 -0.000 0.000 0.269 195 T C 1.919 176.670 174.700 0.085 0.000 1.071 195 T CA 1.438 63.552 62.100 0.024 0.000 1.132 195 T CB -0.641 68.216 68.868 -0.019 0.000 0.878 195 T HN 0.701 nan 8.240 nan 0.000 0.479 196 G N -0.095 108.747 108.800 0.070 0.000 2.402 196 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 196 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 196 G C 1.328 176.340 174.900 0.188 0.000 1.162 196 G CA 0.348 45.506 45.100 0.098 0.000 0.777 196 G HN 0.563 nan 8.290 nan 0.000 0.539 197 W N 1.208 122.590 121.300 0.137 0.000 2.335 197 W HA -0.104 4.556 4.660 -0.000 0.000 0.311 197 W C 2.239 178.895 176.519 0.228 0.000 1.213 197 W CA 1.582 59.064 57.345 0.228 0.000 1.274 197 W CB 0.025 29.675 29.460 0.317 0.000 1.148 197 W HN 0.266 nan 8.180 nan 0.000 0.498 198 D N -0.132 120.642 120.400 0.625 0.000 2.104 198 D HA -0.243 4.396 4.640 -0.000 0.000 0.194 198 D C 1.793 178.245 176.300 0.253 0.000 0.994 198 D CA 1.796 56.084 54.000 0.481 0.000 0.830 198 D CB -0.527 40.477 40.800 0.341 0.000 0.959 198 D HN 0.053 nan 8.370 nan 0.000 0.452 199 N N -0.301 118.484 118.700 0.142 0.000 2.142 199 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 199 N C 1.751 177.231 175.510 -0.049 0.000 1.023 199 N CA 0.836 53.906 53.050 0.034 0.000 0.852 199 N CB -0.440 38.059 38.487 0.019 0.000 0.998 199 N HN 0.263 nan 8.380 nan 0.000 0.424 200 M N 0.110 119.674 119.600 -0.061 0.000 2.117 200 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 200 M C 1.832 177.987 176.300 -0.242 0.000 1.065 200 M CA 1.227 56.425 55.300 -0.170 0.000 1.114 200 M CB -0.608 31.881 32.600 -0.186 0.000 1.361 200 M HN 0.119 nan 8.290 nan 0.000 0.408 201 F N 0.495 120.250 119.950 -0.325 0.000 2.102 201 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 201 F C 2.371 178.057 175.800 -0.190 0.000 1.105 201 F CA 2.155 59.994 58.000 -0.268 0.000 1.239 201 F CB -0.491 38.387 39.000 -0.204 0.000 0.991 201 F HN 0.272 nan 8.300 nan 0.000 0.474 202 E N 0.281 120.453 120.200 -0.047 0.000 2.110 202 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 202 E C 2.385 178.666 176.600 -0.531 0.000 0.988 202 E CA 1.225 57.462 56.400 -0.272 0.000 0.804 202 E CB -0.690 28.915 29.700 -0.159 0.000 0.745 202 E HN 0.521 nan 8.360 nan 0.000 0.458 203 G N 1.095 109.628 108.800 -0.445 0.000 2.422 203 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 203 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 203 G C 1.697 176.273 174.900 -0.539 0.000 1.140 203 G CA 0.569 45.343 45.100 -0.543 0.000 0.775 203 G HN 0.247 nan 8.290 nan 0.000 0.545 204 I N 1.006 121.252 120.570 -0.542 0.000 2.406 204 I HA -0.047 4.123 4.170 -0.000 0.000 0.249 204 I C 3.200 179.122 176.117 -0.325 0.000 1.122 204 I CA 0.766 61.757 61.300 -0.514 0.000 1.431 204 I CB -0.090 37.451 38.000 -0.765 0.000 1.087 204 I HN 0.228 nan 8.210 nan 0.000 0.424 205 A N 0.990 123.532 122.820 -0.465 0.000 1.930 205 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 205 A C 2.372 179.912 177.584 -0.073 0.000 1.175 205 A CA 1.255 53.195 52.037 -0.162 0.000 0.627 205 A CB -0.463 18.391 19.000 -0.243 0.000 0.815 205 A HN 0.292 nan 8.150 nan 0.000 0.443 206 R N -2.182 118.026 120.500 -0.487 0.000 2.075 206 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 206 R C 2.143 178.351 176.300 -0.153 0.000 1.126 206 R CA 1.622 57.480 56.100 -0.402 0.000 0.963 206 R CB -0.544 29.392 30.300 -0.607 0.000 0.858 206 R HN 0.670 nan 8.270 nan 0.000 0.435 207 Y N 0.266 120.346 120.300 -0.367 0.000 2.165 207 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 207 Y C 1.432 177.078 175.900 -0.424 0.000 1.155 207 Y CA 1.579 59.413 58.100 -0.443 0.000 1.164 207 Y CB -0.054 38.006 38.460 -0.666 0.000 0.978 207 Y HN -0.087 nan 8.280 nan 0.000 0.513 208 F N -1.733 118.272 119.950 0.091 0.000 2.776 208 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 208 F C 1.930 177.765 175.800 0.058 0.000 1.116 208 F CA 0.994 59.032 58.000 0.063 0.000 1.375 208 F CB -0.001 39.048 39.000 0.082 0.000 1.109 208 F HN -0.070 nan 8.300 nan 0.000 0.585 209 T N -1.187 113.527 114.554 0.265 0.000 3.115 209 T HA 0.061 4.411 4.350 -0.000 0.000 0.256 209 T C 1.714 176.568 174.700 0.256 0.000 0.970 209 T CA 0.009 62.291 62.100 0.304 0.000 1.010 209 T CB -0.312 68.916 68.868 0.601 0.000 1.151 209 T HN 0.013 nan 8.240 nan 0.000 0.479 210 L N 2.292 123.681 121.223 0.276 0.000 1.997 210 L HA -0.081 4.259 4.340 -0.000 0.000 0.216 210 L C 1.787 178.713 176.870 0.094 0.000 1.074 210 L CA 2.017 56.987 54.840 0.217 0.000 0.763 210 L CB -0.369 41.794 42.059 0.173 0.000 0.890 210 L HN 0.085 nan 8.230 nan 0.000 0.434 211 K N -0.965 119.450 120.400 0.024 0.000 2.525 211 K HA 0.075 4.395 4.320 -0.000 0.000 0.192 211 K C 0.802 177.404 176.600 0.003 0.000 1.029 211 K CA 0.801 57.085 56.287 -0.005 0.000 1.029 211 K CB -0.106 32.361 32.500 -0.055 0.000 0.814 211 K HN 0.532 nan 8.250 nan 0.000 0.503 212 S N -0.540 115.173 115.700 0.023 0.000 2.751 212 S HA 0.231 4.701 4.470 -0.000 0.000 0.247 212 S C 0.999 175.608 174.600 0.016 0.000 1.103 212 S CA -0.547 57.662 58.200 0.015 0.000 1.090 212 S CB 0.265 63.473 63.200 0.013 0.000 0.928 212 S HN -0.012 nan 8.310 nan 0.000 0.502 213 M N 1.921 121.536 119.600 0.025 0.000 2.492 213 M HA 0.041 4.521 4.480 -0.000 0.000 0.262 213 M C 1.080 177.380 176.300 0.001 0.000 1.090 213 M CA 0.636 55.944 55.300 0.014 0.000 1.110 213 M CB -1.154 31.465 32.600 0.032 0.000 1.407 213 M HN 0.361 nan 8.290 nan 0.000 0.470 214 D N 1.534 121.935 120.400 0.002 0.000 2.133 214 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 214 D C 1.241 177.537 176.300 -0.007 0.000 1.001 214 D CA 1.874 55.873 54.000 -0.001 0.000 0.844 214 D CB -0.311 40.489 40.800 -0.001 0.000 0.944 214 D HN 0.534 nan 8.370 nan 0.000 0.447 215 D N 0.191 120.584 120.400 -0.011 0.000 2.349 215 D HA -0.050 4.590 4.640 -0.000 0.000 0.215 215 D C 0.395 176.682 176.300 -0.023 0.000 1.016 215 D CA 0.086 54.077 54.000 -0.015 0.000 0.870 215 D CB 0.034 40.824 40.800 -0.016 0.000 0.917 215 D HN -0.066 nan 8.370 nan 0.000 0.524 216 K N 0.418 120.801 120.400 -0.028 0.000 2.350 216 K HA 0.372 4.692 4.320 -0.000 0.000 0.279 216 K C -0.549 176.037 176.600 -0.024 0.000 1.027 216 K CA -0.287 55.975 56.287 -0.041 0.000 0.969 216 K CB 1.747 34.207 32.500 -0.068 0.000 0.954 216 K HN -0.130 nan 8.250 nan 0.000 0.474 217 V N 3.499 123.398 119.914 -0.025 0.000 2.525 217 V HA 0.220 4.340 4.120 -0.000 0.000 0.299 217 V C -0.509 175.582 176.094 -0.006 0.000 1.034 217 V CA -1.200 61.093 62.300 -0.011 0.000 0.863 217 V CB 1.941 33.755 31.823 -0.016 0.000 0.999 217 V HN 0.457 nan 8.190 nan 0.000 0.423 218 V N 4.590 124.514 119.914 0.016 0.000 2.599 218 V HA 0.367 4.487 4.120 -0.000 0.000 0.300 218 V C 1.570 177.639 176.094 -0.042 0.000 1.034 218 V CA 1.741 64.048 62.300 0.012 0.000 1.115 218 V CB 0.440 32.281 31.823 0.030 0.000 0.934 218 V HN 1.361 nan 8.190 nan 0.000 0.485 219 G N 3.959 112.710 108.800 -0.081 0.000 2.184 219 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 219 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 219 G C 1.125 175.992 174.900 -0.054 0.000 0.975 219 G CA 1.042 46.095 45.100 -0.079 0.000 0.642 219 G HN 1.113 nan 8.290 nan 0.000 0.536 220 S N 1.078 116.752 115.700 -0.044 0.000 2.399 220 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 220 S C 1.797 176.372 174.600 -0.041 0.000 1.022 220 S CA 1.737 59.914 58.200 -0.038 0.000 0.983 220 S CB -0.372 62.807 63.200 -0.035 0.000 0.803 220 S HN 1.190 nan 8.310 nan 0.000 0.480 221 N N 1.233 119.905 118.700 -0.047 0.000 2.336 221 N HA 0.048 4.788 4.740 -0.000 0.000 0.189 221 N C 0.009 175.493 175.510 -0.044 0.000 1.113 221 N CA 0.088 53.111 53.050 -0.047 0.000 0.858 221 N CB -0.707 37.748 38.487 -0.053 0.000 0.970 221 N HN 0.515 nan 8.380 nan 0.000 0.471 222 K N -0.897 119.477 120.400 -0.043 0.000 3.016 222 K HA -0.249 4.071 4.320 -0.000 0.000 0.262 222 K C -0.656 175.925 176.600 -0.032 0.000 1.043 222 K CA 0.918 57.182 56.287 -0.039 0.000 0.761 222 K CB -1.566 30.915 32.500 -0.033 0.000 1.230 222 K HN 0.486 nan 8.250 nan 0.000 0.485 223 K N 0.185 120.567 120.400 -0.030 0.000 2.313 223 K HA 0.653 4.973 4.320 -0.000 0.000 0.235 223 K C -0.071 176.537 176.600 0.015 0.000 1.035 223 K CA -0.978 55.305 56.287 -0.007 0.000 0.868 223 K CB 1.552 34.042 32.500 -0.017 0.000 1.232 223 K HN -0.019 nan 8.250 nan 0.000 0.459 224 I N 2.098 122.710 120.570 0.070 0.000 2.418 224 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 224 I C -0.692 175.524 176.117 0.166 0.000 1.008 224 I CA -0.948 60.405 61.300 0.088 0.000 1.104 224 I CB 1.658 39.698 38.000 0.067 0.000 1.264 224 I HN 0.465 nan 8.210 nan 0.000 0.438 225 N N 7.004 125.822 118.700 0.197 0.000 2.525 225 N HA 0.430 5.170 4.740 -0.000 0.000 0.271 225 N C -0.713 174.946 175.510 0.248 0.000 1.194 225 N CA -0.107 53.103 53.050 0.265 0.000 0.964 225 N CB 1.713 40.430 38.487 0.382 0.000 1.126 225 N HN 0.332 nan 8.380 nan 0.000 0.452 226 I N 1.711 122.429 120.570 0.247 0.000 2.499 226 I HA 0.257 4.427 4.170 -0.000 0.000 0.288 226 I C -0.468 175.745 176.117 0.160 0.000 1.048 226 I CA -0.743 60.668 61.300 0.186 0.000 1.062 226 I CB 1.628 39.725 38.000 0.163 0.000 1.238 226 I HN 0.030 nan 8.210 nan 0.000 0.426 227 V N 8.522 128.475 119.914 0.065 0.000 2.313 227 V HA 0.270 4.390 4.120 -0.000 0.000 0.278 227 V C -1.274 174.740 176.094 -0.133 0.000 1.017 227 V CA -1.046 61.224 62.300 -0.049 0.000 0.823 227 V CB 1.612 33.292 31.823 -0.239 0.000 1.010 227 V HN 0.579 nan 8.190 nan 0.000 0.443 228 P HA 0.019 nan 4.420 nan 0.000 0.217 228 P C 0.805 177.823 177.300 -0.470 0.000 1.151 228 P CA 1.702 64.680 63.100 -0.204 0.000 0.828 228 P CB 0.512 32.221 31.700 0.017 0.000 0.788 229 G N 0.294 108.519 108.800 -0.959 0.000 2.760 229 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 229 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 229 G C -0.875 173.205 174.900 -1.366 0.000 1.359 229 G CA -0.432 43.812 45.100 -1.426 0.000 0.861 229 G HN 0.290 nan 8.290 nan 0.000 0.541 230 F N 1.619 120.940 119.950 -1.048 0.000 2.538 230 F HA 0.505 5.032 4.527 -0.000 0.000 0.382 230 F C 0.503 176.129 175.800 -0.290 0.000 1.069 230 F CA 0.763 58.390 58.000 -0.622 0.000 1.138 230 F CB 0.676 39.449 39.000 -0.379 0.000 1.068 230 F HN 0.691 nan 8.300 nan 0.000 0.556 231 E N 3.353 123.325 120.200 -0.380 0.000 2.275 231 E HA 0.332 4.682 4.350 -0.000 0.000 0.270 231 E C -0.345 176.150 176.600 -0.175 0.000 0.882 231 E CA -0.490 55.768 56.400 -0.237 0.000 0.758 231 E CB 1.450 30.875 29.700 -0.459 0.000 1.195 231 E HN 0.474 nan 8.360 nan 0.000 0.419 232 T N 0.842 115.317 114.554 -0.131 0.000 3.252 232 T HA 0.299 4.649 4.350 -0.000 0.000 0.286 232 T C -0.488 174.268 174.700 0.093 0.000 1.013 232 T CA -0.214 61.884 62.100 -0.003 0.000 0.914 232 T CB -0.362 68.249 68.868 -0.428 0.000 1.131 232 T HN 0.250 nan 8.240 nan 0.000 0.529 233 Y N 1.477 121.893 120.300 0.193 0.000 2.345 233 Y HA 0.524 5.074 4.550 -0.000 0.000 0.331 233 Y C 1.213 177.223 175.900 0.185 0.000 0.959 233 Y CA -2.121 56.080 58.100 0.168 0.000 1.204 233 Y CB 1.204 39.686 38.460 0.038 0.000 1.135 233 Y HN 0.006 nan 8.280 nan 0.000 0.477 234 L N 2.011 123.496 121.223 0.436 0.000 2.079 234 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 234 L C 2.245 179.275 176.870 0.267 0.000 1.081 234 L CA 1.635 56.709 54.840 0.390 0.000 0.752 234 L CB -0.541 41.681 42.059 0.272 0.000 0.896 234 L HN 0.906 nan 8.230 nan 0.000 0.433 235 G N -0.247 108.654 108.800 0.169 0.000 2.470 235 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 235 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 235 G C 1.378 176.280 174.900 0.004 0.000 1.121 235 G CA 0.522 45.660 45.100 0.063 0.000 0.766 235 G HN 0.331 nan 8.290 nan 0.000 0.553 236 N N 0.233 118.915 118.700 -0.030 0.000 2.216 236 N HA -0.012 4.728 4.740 -0.000 0.000 0.183 236 N C 1.739 177.113 175.510 -0.227 0.000 1.017 236 N CA 0.555 53.492 53.050 -0.188 0.000 0.861 236 N CB -0.368 37.953 38.487 -0.277 0.000 0.986 236 N HN 0.327 nan 8.380 nan 0.000 0.428 237 F N 1.435 121.377 119.950 -0.013 0.000 2.113 237 F HA 0.014 4.541 4.527 -0.000 0.000 0.297 237 F C 2.385 178.158 175.800 -0.046 0.000 1.103 237 F CA 0.919 58.899 58.000 -0.032 0.000 1.248 237 F CB -0.305 38.688 39.000 -0.012 0.000 0.999 237 F HN -0.072 nan 8.300 nan 0.000 0.475 238 R N -0.314 120.282 120.500 0.161 0.000 2.081 238 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 238 R C 2.286 178.589 176.300 0.005 0.000 1.131 238 R CA 1.300 57.444 56.100 0.073 0.000 0.960 238 R CB -0.977 29.363 30.300 0.066 0.000 0.856 238 R HN 0.209 nan 8.270 nan 0.000 0.436 239 V N 1.169 121.064 119.914 -0.032 0.000 2.515 239 V HA -0.176 3.944 4.120 -0.000 0.000 0.250 239 V C 1.881 177.913 176.094 -0.102 0.000 1.058 239 V CA 1.447 63.706 62.300 -0.069 0.000 1.064 239 V CB -0.214 31.547 31.823 -0.103 0.000 0.675 239 V HN 0.245 nan 8.190 nan 0.000 0.461 240 I N 0.031 120.525 120.570 -0.128 0.000 2.286 240 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 240 I C 2.443 178.434 176.117 -0.210 0.000 1.104 240 I CA 1.623 62.825 61.300 -0.164 0.000 1.397 240 I CB -1.224 36.671 38.000 -0.174 0.000 1.072 240 I HN 0.360 nan 8.210 nan 0.000 0.417 241 K N 0.378 120.654 120.400 -0.207 0.000 2.026 241 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 241 K C 2.230 178.739 176.600 -0.151 0.000 1.048 241 K CA 1.295 57.390 56.287 -0.320 0.000 0.929 241 K CB -0.240 32.226 32.500 -0.057 0.000 0.713 241 K HN 0.178 nan 8.250 nan 0.000 0.439 242 R N 1.065 121.532 120.500 -0.055 0.000 2.091 242 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 242 R C 2.203 178.502 176.300 -0.002 0.000 1.136 242 R CA 1.692 57.788 56.100 -0.006 0.000 0.959 242 R CB -0.121 30.179 30.300 0.000 0.000 0.856 242 R HN 0.168 nan 8.270 nan 0.000 0.437 243 M N 0.377 119.964 119.600 -0.023 0.000 2.132 243 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 243 M C 2.261 178.577 176.300 0.026 0.000 1.065 243 M CA 1.499 56.808 55.300 0.014 0.000 1.122 243 M CB -0.173 32.438 32.600 0.020 0.000 1.365 243 M HN 0.200 nan 8.290 nan 0.000 0.411 244 L N -0.877 120.333 121.223 -0.021 0.000 2.027 244 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 244 L C 2.601 179.531 176.870 0.100 0.000 1.074 244 L CA 1.040 55.888 54.840 0.014 0.000 0.745 244 L CB -0.729 41.262 42.059 -0.114 0.000 0.898 244 L HN 0.224 nan 8.230 nan 0.000 0.433 245 S N -0.601 115.175 115.700 0.126 0.000 2.399 245 S HA -0.236 4.234 4.470 -0.000 0.000 0.231 245 S C 1.868 176.523 174.600 0.092 0.000 1.022 245 S CA 1.282 59.579 58.200 0.162 0.000 0.983 245 S CB -0.206 63.098 63.200 0.174 0.000 0.803 245 S HN 0.397 nan 8.310 nan 0.000 0.480 246 E N 0.300 120.541 120.200 0.068 0.000 2.268 246 E HA 0.038 4.388 4.350 -0.000 0.000 0.195 246 E C 1.512 178.143 176.600 0.052 0.000 0.995 246 E CA 0.630 57.062 56.400 0.054 0.000 0.836 246 E CB 0.000 29.730 29.700 0.049 0.000 0.763 246 E HN 0.464 nan 8.360 nan 0.000 0.491 247 M N -0.981 118.653 119.600 0.056 0.000 2.428 247 M HA 0.157 4.637 4.480 -0.000 0.000 0.239 247 M C 0.846 177.174 176.300 0.046 0.000 1.121 247 M CA 0.486 55.813 55.300 0.046 0.000 1.019 247 M CB 1.051 33.675 32.600 0.040 0.000 1.485 247 M HN 0.217 nan 8.290 nan 0.000 0.484 248 G N 1.802 110.637 108.800 0.059 0.000 2.305 248 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 248 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 248 G C -0.257 174.677 174.900 0.057 0.000 1.036 248 G CA -0.145 44.987 45.100 0.054 0.000 0.887 248 G HN 0.343 nan 8.290 nan 0.000 0.505 249 V N 0.280 120.249 119.914 0.091 0.000 2.394 249 V HA 0.699 4.819 4.120 -0.000 0.000 0.282 249 V C 1.200 177.383 176.094 0.149 0.000 1.031 249 V CA -0.115 62.243 62.300 0.097 0.000 0.881 249 V CB 1.683 33.561 31.823 0.091 0.000 0.982 249 V HN 0.732 nan 8.190 nan 0.000 0.451 250 G N 4.761 113.603 108.800 0.070 0.000 2.354 250 G HA2 0.441 4.401 3.960 -0.000 0.000 0.266 250 G HA3 0.441 4.401 3.960 -0.000 0.000 0.266 250 G C -0.824 174.113 174.900 0.061 0.000 1.242 250 G CA 0.074 45.178 45.100 0.007 0.000 0.923 250 G HN 0.848 nan 8.290 nan 0.000 0.476 251 Y N -0.299 120.013 120.300 0.019 0.000 2.609 251 Y HA 0.807 5.357 4.550 -0.000 0.000 0.342 251 Y C -0.411 175.513 175.900 0.041 0.000 1.058 251 Y CA -1.838 56.284 58.100 0.036 0.000 1.055 251 Y CB 1.788 40.280 38.460 0.053 0.000 1.292 251 Y HN 0.402 nan 8.280 nan 0.000 0.476 252 S N 2.376 118.207 115.700 0.219 0.000 2.789 252 S HA 0.462 4.932 4.470 -0.000 0.000 0.286 252 S C -1.899 172.877 174.600 0.293 0.000 1.153 252 S CA -0.556 57.733 58.200 0.149 0.000 1.084 252 S CB 0.430 63.682 63.200 0.087 0.000 1.036 252 S HN 0.736 nan 8.310 nan 0.000 0.484 253 L N 6.730 128.146 121.223 0.323 0.000 2.278 253 L HA 0.537 4.877 4.340 -0.000 0.000 0.287 253 L C -1.010 175.969 176.870 0.181 0.000 1.072 253 L CA 0.014 55.013 54.840 0.265 0.000 0.819 253 L CB 0.375 42.586 42.059 0.253 0.000 1.176 253 L HN 0.616 nan 8.230 nan 0.000 0.435 254 L N 5.639 127.011 121.223 0.248 0.000 2.255 254 L HA 0.419 4.759 4.340 -0.000 0.000 0.289 254 L C 0.466 177.496 176.870 0.267 0.000 1.046 254 L CA -0.546 54.480 54.840 0.310 0.000 0.816 254 L CB 0.711 43.149 42.059 0.631 0.000 1.197 254 L HN 0.873 nan 8.230 nan 0.000 0.427 255 S N 2.432 117.991 115.700 -0.234 0.000 3.828 255 S HA -0.151 4.319 4.470 -0.000 0.000 0.722 255 S C -0.758 173.738 174.600 -0.174 0.000 0.508 255 S CA -0.238 57.720 58.200 -0.404 0.000 1.434 255 S CB -0.554 62.789 63.200 0.239 0.000 0.825 255 S HN 0.880 nan 8.310 nan 0.000 1.023 256 D N 5.056 125.246 120.400 -0.350 0.000 2.408 256 D HA 0.502 5.142 4.640 -0.000 0.000 0.261 256 D C -1.135 174.881 176.300 -0.474 0.000 1.190 256 D CA -1.846 51.911 54.000 -0.404 0.000 0.910 256 D CB 1.360 42.021 40.800 -0.231 0.000 1.097 256 D HN 0.277 nan 8.370 nan 0.000 0.522 257 P HA 0.025 nan 4.420 nan 0.000 0.261 257 P C 0.797 177.809 177.300 -0.481 0.000 1.268 257 P CA 0.198 63.009 63.100 -0.482 0.000 0.833 257 P CB 0.337 31.780 31.700 -0.430 0.000 1.231 258 E N 0.894 120.741 120.200 -0.589 0.000 2.130 258 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 258 E C 1.614 178.115 176.600 -0.165 0.000 0.998 258 E CA 1.337 57.554 56.400 -0.304 0.000 0.806 258 E CB -0.658 28.933 29.700 -0.181 0.000 0.738 258 E HN 0.120 nan 8.360 nan 0.000 0.459 259 E N 0.561 120.664 120.200 -0.161 0.000 2.072 259 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 259 E C 2.457 179.000 176.600 -0.096 0.000 0.982 259 E CA 1.555 57.896 56.400 -0.097 0.000 0.803 259 E CB -0.037 29.616 29.700 -0.079 0.000 0.755 259 E HN 0.433 nan 8.360 nan 0.000 0.453 260 V N 0.313 120.149 119.914 -0.130 0.000 2.809 260 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 260 V C 2.193 178.201 176.094 -0.144 0.000 1.080 260 V CA 1.030 63.258 62.300 -0.120 0.000 1.102 260 V CB -0.649 31.099 31.823 -0.124 0.000 0.705 260 V HN 0.099 nan 8.190 nan 0.000 0.475 261 L N 0.118 121.218 121.223 -0.206 0.000 2.653 261 L HA 0.359 4.699 4.340 -0.000 0.000 0.231 261 L C 0.610 177.446 176.870 -0.056 0.000 1.153 261 L CA 0.456 55.143 54.840 -0.255 0.000 0.933 261 L CB 0.100 41.834 42.059 -0.541 0.000 1.175 261 L HN 0.310 nan 8.230 nan 0.000 0.473 262 D N -0.112 120.277 120.400 -0.019 0.000 3.453 262 D HA 0.028 4.668 4.640 -0.000 0.000 0.312 262 D C 0.309 176.625 176.300 0.026 0.000 1.349 262 D CA -0.120 53.907 54.000 0.045 0.000 0.739 262 D CB 0.438 41.272 40.800 0.056 0.000 1.312 262 D HN 0.031 nan 8.370 nan 0.000 0.628 263 T N -0.778 113.791 114.554 0.024 0.000 2.868 263 T HA 0.610 4.960 4.350 -0.000 0.000 0.292 263 T C -1.987 172.737 174.700 0.040 0.000 1.028 263 T CA -1.119 60.994 62.100 0.022 0.000 1.059 263 T CB 1.317 70.197 68.868 0.019 0.000 0.991 263 T HN 0.027 nan 8.240 nan 0.000 0.531 264 P HA 0.416 nan 4.420 nan 0.000 0.282 264 P C -1.088 176.241 177.300 0.049 0.000 1.249 264 P CA -0.708 62.413 63.100 0.034 0.000 0.806 264 P CB 0.858 32.572 31.700 0.023 0.000 0.984 265 A N 2.534 125.383 122.820 0.049 0.000 2.650 265 A HA 0.308 4.628 4.320 -0.000 0.000 0.320 265 A C 0.398 178.010 177.584 0.046 0.000 1.466 265 A CA -0.366 51.705 52.037 0.056 0.000 1.099 265 A CB -0.660 18.372 19.000 0.054 0.000 1.136 265 A HN 0.581 nan 8.150 nan 0.000 0.532 266 D N 1.111 121.540 120.400 0.048 0.000 2.535 266 D HA 0.296 4.936 4.640 -0.000 0.000 0.229 266 D C 0.876 177.201 176.300 0.042 0.000 1.238 266 D CA 0.442 54.465 54.000 0.039 0.000 0.824 266 D CB -0.167 40.651 40.800 0.031 0.000 1.045 266 D HN 1.018 nan 8.370 nan 0.000 0.500 267 G N 0.329 109.160 108.800 0.052 0.000 2.176 267 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 267 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 267 G C -0.076 174.865 174.900 0.068 0.000 0.986 267 G CA 0.108 45.240 45.100 0.053 0.000 0.643 267 G HN 0.610 nan 8.290 nan 0.000 0.522 268 Q N -0.444 119.405 119.800 0.080 0.000 2.323 268 Q HA 0.640 4.980 4.340 -0.000 0.000 0.271 268 Q C -1.408 174.683 176.000 0.152 0.000 1.048 268 Q CA -1.174 54.687 55.803 0.097 0.000 0.792 268 Q CB 1.535 30.306 28.738 0.056 0.000 1.280 268 Q HN 0.345 nan 8.270 nan 0.000 0.441 269 F N 3.896 123.854 119.950 0.014 0.000 2.411 269 F HA 0.476 5.003 4.527 -0.000 0.000 0.350 269 F C -0.915 174.885 175.800 -0.000 0.000 1.114 269 F CA -0.524 57.479 58.000 0.005 0.000 1.135 269 F CB 0.785 39.788 39.000 0.005 0.000 1.120 269 F HN 0.480 nan 8.300 nan 0.000 0.495 270 R N 7.552 127.694 120.500 -0.596 0.000 2.320 270 R HA 0.253 4.593 4.340 -0.000 0.000 0.319 270 R C 0.986 176.705 176.300 -0.968 0.000 0.969 270 R CA -0.498 55.230 56.100 -0.619 0.000 0.857 270 R CB 1.486 31.642 30.300 -0.240 0.000 1.160 270 R HN 0.935 nan 8.270 nan 0.000 0.491 271 M N 2.130 121.046 119.600 -1.139 0.000 2.175 271 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 271 M C -0.569 175.249 176.300 -0.803 0.000 1.063 271 M CA 1.781 56.475 55.300 -1.009 0.000 1.119 271 M CB 0.408 32.443 32.600 -0.943 0.000 1.377 271 M HN 0.424 nan 8.290 nan 0.000 0.415 272 Y N -0.408 119.775 120.300 -0.194 0.000 2.524 272 Y HA 0.719 5.269 4.550 -0.000 0.000 0.344 272 Y C -0.436 175.398 175.900 -0.110 0.000 1.012 272 Y CA -1.204 56.830 58.100 -0.110 0.000 1.068 272 Y CB 1.605 40.029 38.460 -0.060 0.000 1.249 272 Y HN 0.046 nan 8.280 nan 0.000 0.468 273 A N 0.983 123.845 122.820 0.070 0.000 2.555 273 A HA 0.645 4.965 4.320 -0.000 0.000 0.297 273 A C 0.245 177.817 177.584 -0.019 0.000 1.060 273 A CA -0.256 51.782 52.037 0.002 0.000 0.710 273 A CB 0.590 19.569 19.000 -0.036 0.000 1.282 273 A HN 1.540 nan 8.150 nan 0.000 0.399 274 G N 1.406 110.190 108.800 -0.027 0.000 2.652 274 G HA2 0.394 4.354 3.960 -0.000 0.000 0.318 274 G HA3 0.394 4.354 3.960 -0.000 0.000 0.318 274 G C 1.689 176.552 174.900 -0.062 0.000 1.295 274 G CA 1.701 46.773 45.100 -0.047 0.000 0.999 274 G HN 3.236 nan 8.290 nan 0.000 0.548 275 G N -3.505 105.233 108.800 -0.103 0.000 2.712 275 G HA2 0.331 4.291 3.960 -0.000 0.000 0.686 275 G HA3 0.331 4.291 3.960 -0.000 0.000 0.686 275 G C -0.100 174.711 174.900 -0.149 0.000 1.321 275 G CA 0.416 45.430 45.100 -0.142 0.000 0.813 275 G HN 1.869 nan 8.290 nan 0.000 0.599 276 T N 2.060 116.459 114.554 -0.259 0.000 2.817 276 T HA 0.483 4.833 4.350 -0.000 0.000 0.295 276 T C 1.429 176.078 174.700 -0.084 0.000 0.958 276 T CA 0.884 62.852 62.100 -0.221 0.000 1.157 276 T CB 0.437 69.038 68.868 -0.444 0.000 0.898 276 T HN 1.437 nan 8.240 nan 0.000 0.536 277 T N 2.089 116.603 114.554 -0.066 0.000 2.828 277 T HA 0.160 4.510 4.350 -0.000 0.000 0.290 277 T C 1.351 175.978 174.700 -0.121 0.000 1.019 277 T CA -0.578 61.478 62.100 -0.074 0.000 1.031 277 T CB 0.844 69.662 68.868 -0.083 0.000 1.001 277 T HN 0.595 nan 8.240 nan 0.000 0.531 278 Q N -0.088 119.588 119.800 -0.206 0.000 2.119 278 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 278 Q C 2.285 178.062 176.000 -0.372 0.000 0.972 278 Q CA 1.229 56.762 55.803 -0.451 0.000 0.847 278 Q CB -0.012 28.485 28.738 -0.402 0.000 0.903 278 Q HN 0.673 nan 8.270 nan 0.000 0.433 279 E N 0.919 121.000 120.200 -0.200 0.000 2.110 279 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 279 E C 1.695 178.221 176.600 -0.123 0.000 0.988 279 E CA 1.031 57.348 56.400 -0.138 0.000 0.804 279 E CB -0.003 29.641 29.700 -0.093 0.000 0.745 279 E HN 0.434 nan 8.360 nan 0.000 0.458 280 E N -0.136 119.999 120.200 -0.108 0.000 2.110 280 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 280 E C 1.960 178.532 176.600 -0.048 0.000 0.988 280 E CA 1.013 57.374 56.400 -0.065 0.000 0.804 280 E CB -0.087 29.591 29.700 -0.037 0.000 0.745 280 E HN 0.068 nan 8.360 nan 0.000 0.458 281 M N 1.040 120.594 119.600 -0.076 0.000 2.156 281 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 281 M C 1.630 177.909 176.300 -0.034 0.000 1.067 281 M CA 1.652 56.945 55.300 -0.012 0.000 1.131 281 M CB 0.172 32.721 32.600 -0.086 0.000 1.368 281 M HN -0.184 nan 8.290 nan 0.000 0.416 282 K N -0.719 119.616 120.400 -0.109 0.000 2.211 282 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 282 K C 1.373 177.922 176.600 -0.085 0.000 1.050 282 K CA 1.487 57.755 56.287 -0.031 0.000 0.945 282 K CB -0.207 32.277 32.500 -0.027 0.000 0.732 282 K HN 0.362 nan 8.250 nan 0.000 0.451 283 D N 0.167 120.500 120.400 -0.111 0.000 2.333 283 D HA 0.070 4.710 4.640 -0.000 0.000 0.208 283 D C 1.613 177.794 176.300 -0.198 0.000 0.984 283 D CA 0.489 54.411 54.000 -0.129 0.000 0.873 283 D CB 0.203 40.947 40.800 -0.093 0.000 0.935 283 D HN 0.128 nan 8.370 nan 0.000 0.521 284 A N 1.268 123.939 122.820 -0.249 0.000 1.971 284 A HA -0.178 4.142 4.320 -0.000 0.000 0.222 284 A C -0.188 176.992 177.584 -0.673 0.000 1.182 284 A CA 1.549 53.353 52.037 -0.389 0.000 0.649 284 A CB -1.679 17.076 19.000 -0.408 0.000 0.818 284 A HN 0.295 nan 8.150 nan 0.000 0.458 285 P HA -0.093 nan 4.420 nan 0.000 0.220 285 P C 0.805 178.001 177.300 -0.174 0.000 1.148 285 P CA 1.046 63.647 63.100 -0.831 0.000 0.803 285 P CB -0.117 31.146 31.700 -0.729 0.000 0.782 286 N N -0.714 117.896 118.700 -0.150 0.000 2.521 286 N HA 0.039 4.779 4.740 -0.000 0.000 0.188 286 N C 0.814 176.301 175.510 -0.039 0.000 1.146 286 N CA 0.186 53.199 53.050 -0.061 0.000 0.893 286 N CB -0.325 38.117 38.487 -0.075 0.000 0.975 286 N HN 0.092 nan 8.380 nan 0.000 0.451 287 A N 0.375 123.189 122.820 -0.010 0.000 2.429 287 A HA 0.185 4.505 4.320 -0.000 0.000 0.242 287 A C 1.514 178.973 177.584 -0.209 0.000 1.088 287 A CA -0.212 51.800 52.037 -0.043 0.000 0.784 287 A CB 0.269 19.307 19.000 0.064 0.000 1.038 287 A HN 0.163 nan 8.150 nan 0.000 0.501 288 L N -0.032 121.079 121.223 -0.187 0.000 2.109 288 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 288 L C 1.040 177.687 176.870 -0.372 0.000 1.086 288 L CA 0.952 55.659 54.840 -0.221 0.000 0.760 288 L CB -0.334 41.653 42.059 -0.119 0.000 0.910 288 L HN 0.788 nan 8.230 nan 0.000 0.437 289 N N -2.309 116.182 118.700 -0.349 0.000 3.227 289 N HA 0.236 4.976 4.740 -0.000 0.000 0.241 289 N C -1.439 174.116 175.510 0.075 0.000 1.480 289 N CA -0.353 52.540 53.050 -0.261 0.000 0.886 289 N CB 1.812 40.239 38.487 -0.099 0.000 1.406 289 N HN -0.349 nan 8.380 nan 0.000 0.514 290 T N 0.388 115.103 114.554 0.268 0.000 2.848 290 T HA 0.554 4.904 4.350 -0.000 0.000 0.285 290 T C -0.781 174.022 174.700 0.171 0.000 0.995 290 T CA -0.350 61.946 62.100 0.326 0.000 0.970 290 T CB 1.411 70.574 68.868 0.490 0.000 0.976 290 T HN 0.171 nan 8.240 nan 0.000 0.441 291 V N 4.784 124.783 119.914 0.140 0.000 2.459 291 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 291 V C -0.367 175.769 176.094 0.070 0.000 1.029 291 V CA -0.855 61.499 62.300 0.091 0.000 0.874 291 V CB 1.551 33.433 31.823 0.099 0.000 0.985 291 V HN 0.710 nan 8.190 nan 0.000 0.438 292 L N 5.640 126.869 121.223 0.011 0.000 2.262 292 L HA 0.402 4.742 4.340 -0.000 0.000 0.288 292 L C 1.112 177.928 176.870 -0.089 0.000 1.035 292 L CA -0.377 54.423 54.840 -0.067 0.000 0.820 292 L CB 1.239 43.230 42.059 -0.113 0.000 1.204 292 L HN 0.598 nan 8.230 nan 0.000 0.424 293 L N 2.206 123.361 121.223 -0.114 0.000 2.131 293 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 293 L C 0.650 177.418 176.870 -0.170 0.000 1.092 293 L CA 1.422 56.176 54.840 -0.144 0.000 0.759 293 L CB -0.157 41.790 42.059 -0.188 0.000 0.903 293 L HN 0.724 nan 8.230 nan 0.000 0.435 294 Q N -0.417 119.234 119.800 -0.248 0.000 3.244 294 Q HA 0.177 4.517 4.340 -0.000 0.000 0.249 294 Q C -1.780 174.019 176.000 -0.336 0.000 0.951 294 Q CA -1.456 54.199 55.803 -0.247 0.000 0.740 294 Q CB 1.415 29.974 28.738 -0.298 0.000 1.334 294 Q HN 0.016 nan 8.270 nan 0.000 0.448 295 P HA -0.193 nan 4.420 nan 0.000 0.217 295 P C 0.398 177.496 177.300 -0.336 0.000 1.148 295 P CA 1.271 64.183 63.100 -0.313 0.000 0.828 295 P CB 0.116 31.595 31.700 -0.369 0.000 0.783 296 W N 0.433 121.702 121.300 -0.053 0.000 2.848 296 W HA -0.066 4.594 4.660 -0.000 0.000 0.241 296 W C 2.081 178.628 176.519 0.046 0.000 1.289 296 W CA 0.851 58.218 57.345 0.036 0.000 1.396 296 W CB -0.713 28.829 29.460 0.136 0.000 1.138 296 W HN 0.343 nan 8.180 nan 0.000 0.677 297 H N -2.874 116.255 119.070 0.098 0.000 3.007 297 H HA 0.301 4.857 4.556 -0.000 0.000 0.251 297 H C 0.464 175.815 175.328 0.040 0.000 1.188 297 H CA -0.143 55.936 56.048 0.050 0.000 1.017 297 H CB -0.401 29.361 29.762 0.000 0.000 1.805 297 H HN 0.184 nan 8.280 nan 0.000 0.659 298 L N 1.049 122.220 121.223 -0.087 0.000 3.202 298 L HA 0.222 4.562 4.340 -0.000 0.000 0.278 298 L C 1.553 178.406 176.870 -0.029 0.000 1.268 298 L CA -0.023 54.785 54.840 -0.053 0.000 1.034 298 L CB 0.955 42.897 42.059 -0.194 0.000 1.407 298 L HN 0.107 nan 8.230 nan 0.000 0.581 299 E N 1.315 121.510 120.200 -0.009 0.000 2.038 299 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 299 E C 2.144 178.752 176.600 0.014 0.000 1.000 299 E CA 1.665 58.052 56.400 -0.022 0.000 0.803 299 E CB 0.232 29.935 29.700 0.005 0.000 0.750 299 E HN 0.315 nan 8.360 nan 0.000 0.448 300 K N -0.647 119.785 120.400 0.052 0.000 2.057 300 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 300 K C 2.084 178.732 176.600 0.080 0.000 1.049 300 K CA 1.798 58.122 56.287 0.061 0.000 0.931 300 K CB -0.204 32.334 32.500 0.063 0.000 0.714 300 K HN 0.085 nan 8.250 nan 0.000 0.440 301 T N 1.285 115.905 114.554 0.110 0.000 2.684 301 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 301 T C 1.704 176.450 174.700 0.077 0.000 1.036 301 T CA 1.704 63.896 62.100 0.153 0.000 1.148 301 T CB -0.157 68.831 68.868 0.201 0.000 0.863 301 T HN 0.337 nan 8.240 nan 0.000 0.436 302 K N 1.028 121.437 120.400 0.016 0.000 2.032 302 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 302 K C 2.399 178.981 176.600 -0.031 0.000 1.048 302 K CA 1.596 57.866 56.287 -0.028 0.000 0.927 302 K CB -0.170 32.294 32.500 -0.060 0.000 0.712 302 K HN 0.201 nan 8.250 nan 0.000 0.441 303 K N -0.238 120.160 120.400 -0.003 0.000 2.063 303 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 303 K C 2.094 178.689 176.600 -0.009 0.000 1.048 303 K CA 1.629 57.915 56.287 -0.002 0.000 0.928 303 K CB -0.257 32.257 32.500 0.023 0.000 0.713 303 K HN 0.168 nan 8.250 nan 0.000 0.442 304 F N 0.978 120.845 119.950 -0.138 0.000 2.146 304 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 304 F C 1.834 177.422 175.800 -0.353 0.000 1.096 304 F CA 1.009 58.882 58.000 -0.212 0.000 1.275 304 F CB -0.280 38.581 39.000 -0.232 0.000 1.008 304 F HN -0.219 nan 8.300 nan 0.000 0.480 305 V N 0.519 120.167 119.914 -0.443 0.000 2.490 305 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 305 V C 2.180 178.070 176.094 -0.339 0.000 1.061 305 V CA 2.263 64.168 62.300 -0.659 0.000 1.064 305 V CB -0.580 31.018 31.823 -0.375 0.000 0.670 305 V HN 0.379 nan 8.190 nan 0.000 0.461 306 E N 0.015 120.099 120.200 -0.193 0.000 2.076 306 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 306 E C 2.336 178.869 176.600 -0.112 0.000 0.979 306 E CA 1.032 57.380 56.400 -0.087 0.000 0.807 306 E CB -0.404 29.267 29.700 -0.047 0.000 0.761 306 E HN 0.615 nan 8.360 nan 0.000 0.454 307 G N 0.608 109.308 108.800 -0.166 0.000 2.402 307 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 307 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 307 G C 1.600 176.385 174.900 -0.191 0.000 1.162 307 G CA 1.233 46.246 45.100 -0.145 0.000 0.777 307 G HN 0.160 nan 8.290 nan 0.000 0.539 308 T N -0.616 113.699 114.554 -0.398 0.000 2.953 308 T HA 0.001 4.351 4.350 -0.000 0.000 0.247 308 T C 1.916 176.559 174.700 -0.094 0.000 1.029 308 T CA 0.514 62.399 62.100 -0.358 0.000 1.144 308 T CB -0.092 68.290 68.868 -0.810 0.000 0.870 308 T HN 0.368 nan 8.240 nan 0.000 0.446 309 W N 1.805 122.846 121.300 -0.432 0.000 2.584 309 W HA 0.294 4.954 4.660 -0.000 0.000 0.264 309 W C 0.595 177.001 176.519 -0.188 0.000 1.264 309 W CA -0.205 56.918 57.345 -0.371 0.000 1.306 309 W CB -0.272 28.796 29.460 -0.653 0.000 1.110 309 W HN 0.134 nan 8.180 nan 0.000 0.606 310 K N -0.360 120.091 120.400 0.085 0.000 3.192 310 K HA -0.245 4.075 4.320 -0.000 0.000 0.278 310 K C -0.474 176.283 176.600 0.260 0.000 1.164 310 K CA 0.795 57.156 56.287 0.123 0.000 0.816 310 K CB -2.696 29.867 32.500 0.104 0.000 1.256 310 K HN 0.434 nan 8.250 nan 0.000 0.497 311 H N 0.801 119.936 119.070 0.109 0.000 2.502 311 H HA 0.202 4.758 4.556 -0.000 0.000 0.327 311 H C 0.219 175.578 175.328 0.051 0.000 1.099 311 H CA -0.657 55.451 56.048 0.100 0.000 1.323 311 H CB 0.870 30.738 29.762 0.178 0.000 1.450 311 H HN 0.073 nan 8.280 nan 0.000 0.502 312 E N 2.988 123.268 120.200 0.133 0.000 1.892 312 E HA 0.089 4.439 4.350 -0.000 0.000 0.271 312 E C -0.373 176.257 176.600 0.050 0.000 1.146 312 E CA -0.397 56.041 56.400 0.062 0.000 1.096 312 E CB 0.396 30.111 29.700 0.025 0.000 1.155 312 E HN 0.272 nan 8.360 nan 0.000 0.458 313 V N 4.207 124.159 119.914 0.064 0.000 2.506 313 V HA -0.051 4.069 4.120 -0.000 0.000 0.296 313 V C -1.778 174.313 176.094 -0.006 0.000 1.004 313 V CA -0.825 61.498 62.300 0.040 0.000 1.150 313 V CB -0.609 31.229 31.823 0.024 0.000 0.911 313 V HN 0.445 nan 8.190 nan 0.000 0.476 314 P HA 0.091 nan 4.420 nan 0.000 0.267 314 P C -0.297 176.967 177.300 -0.060 0.000 1.200 314 P CA -0.318 62.758 63.100 -0.039 0.000 0.772 314 P CB 0.421 32.092 31.700 -0.048 0.000 0.855 315 K N 3.525 123.884 120.400 -0.068 0.000 2.184 315 K HA 0.282 4.602 4.320 -0.000 0.000 0.259 315 K C -1.017 175.519 176.600 -0.108 0.000 1.119 315 K CA -0.139 56.090 56.287 -0.096 0.000 0.991 315 K CB -0.678 31.773 32.500 -0.083 0.000 1.522 315 K HN 0.435 nan 8.250 nan 0.000 0.405 316 L N 3.141 124.291 121.223 -0.122 0.000 2.362 316 L HA 0.388 4.728 4.340 -0.000 0.000 0.271 316 L C -0.249 176.488 176.870 -0.222 0.000 1.002 316 L CA -1.133 53.626 54.840 -0.134 0.000 0.818 316 L CB 2.156 44.196 42.059 -0.033 0.000 1.298 316 L HN 0.591 nan 8.230 nan 0.000 0.420 317 N N 1.097 119.558 118.700 -0.398 0.000 2.434 317 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 317 N C -0.254 175.057 175.510 -0.332 0.000 1.223 317 N CA -0.679 52.013 53.050 -0.596 0.000 0.972 317 N CB 1.364 38.855 38.487 -1.659 0.000 1.207 317 N HN 0.472 nan 8.380 nan 0.000 0.525 318 I N 2.236 122.687 120.570 -0.197 0.000 2.775 318 I HA 0.027 4.197 4.170 -0.000 0.000 0.290 318 I C -1.836 174.288 176.117 0.011 0.000 1.203 318 I CA -1.304 59.962 61.300 -0.057 0.000 1.433 318 I CB 0.748 38.780 38.000 0.054 0.000 1.354 318 I HN 0.450 nan 8.210 nan 0.000 0.579 319 P HA 0.133 nan 4.420 nan 0.000 0.237 319 P C -0.935 176.274 177.300 -0.152 0.000 1.788 319 P CA 0.268 63.261 63.100 -0.178 0.000 1.061 319 P CB -0.007 31.308 31.700 -0.643 0.000 1.967 320 M N 1.051 120.665 119.600 0.023 0.000 2.602 320 M HA 0.587 5.067 4.480 -0.000 0.000 0.312 320 M C 0.678 176.862 176.300 -0.193 0.000 1.181 320 M CA 0.095 55.321 55.300 -0.123 0.000 0.910 320 M CB 2.549 35.114 32.600 -0.059 0.000 1.723 320 M HN 0.378 nan 8.290 nan 0.000 0.459 321 G N 0.939 109.445 108.800 -0.489 0.000 2.741 321 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.222 321 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.222 321 G C -0.328 174.446 174.900 -0.209 0.000 1.364 321 G CA -0.156 44.644 45.100 -0.500 0.000 0.866 321 G HN 0.693 nan 8.290 nan 0.000 0.555 322 L N -0.163 121.057 121.223 -0.005 0.000 2.034 322 L HA 0.209 4.549 4.340 -0.000 0.000 0.203 322 L C 2.564 179.508 176.870 0.124 0.000 1.074 322 L CA 2.853 57.767 54.840 0.124 0.000 0.748 322 L CB -0.903 41.241 42.059 0.141 0.000 0.905 322 L HN 0.638 nan 8.230 nan 0.000 0.439 323 D N -1.008 119.423 120.400 0.051 0.000 2.117 323 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 323 D C 2.015 178.478 176.300 0.272 0.000 0.987 323 D CA 1.279 55.346 54.000 0.113 0.000 0.829 323 D CB -0.403 40.425 40.800 0.048 0.000 0.961 323 D HN 0.409 nan 8.370 nan 0.000 0.460 324 W N 1.185 122.499 121.300 0.024 0.000 2.467 324 W HA 0.031 4.691 4.660 0.000 0.000 0.275 324 W C 2.223 178.737 176.519 -0.009 0.000 1.239 324 W CA 0.576 57.927 57.345 0.010 0.000 1.266 324 W CB -1.256 28.197 29.460 -0.012 0.000 1.112 324 W HN -0.030 nan 8.180 nan 0.000 0.576 325 T N -0.174 114.456 114.554 0.126 0.000 2.851 325 T HA -0.128 4.222 4.350 -0.000 0.000 0.262 325 T C 1.206 175.943 174.700 0.061 0.000 1.043 325 T CA 1.549 63.605 62.100 -0.073 0.000 1.140 325 T CB -0.242 68.341 68.868 -0.475 0.000 0.872 325 T HN -0.087 nan 8.240 nan 0.000 0.446 326 D N 1.493 121.986 120.400 0.155 0.000 2.092 326 D HA -0.085 4.555 4.640 -0.000 0.000 0.193 326 D C 2.206 178.602 176.300 0.160 0.000 0.994 326 D CA 1.124 55.244 54.000 0.201 0.000 0.828 326 D CB -0.299 40.620 40.800 0.198 0.000 0.963 326 D HN 0.479 nan 8.370 nan 0.000 0.450 327 E N -0.424 119.881 120.200 0.175 0.000 2.085 327 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 327 E C 1.951 178.614 176.600 0.105 0.000 0.994 327 E CA 0.590 57.070 56.400 0.133 0.000 0.801 327 E CB -0.237 29.554 29.700 0.153 0.000 0.743 327 E HN 0.250 nan 8.360 nan 0.000 0.453 328 F N 1.357 121.305 119.950 -0.002 0.000 2.095 328 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 328 F C 1.893 177.674 175.800 -0.032 0.000 1.104 328 F CA 1.396 59.373 58.000 -0.038 0.000 1.232 328 F CB -0.164 38.796 39.000 -0.066 0.000 0.987 328 F HN -0.079 nan 8.300 nan 0.000 0.475 329 L N -0.331 120.925 121.223 0.054 0.000 2.017 329 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 329 L C 2.582 179.399 176.870 -0.088 0.000 1.073 329 L CA 1.759 56.579 54.840 -0.034 0.000 0.745 329 L CB -0.700 41.422 42.059 0.105 0.000 0.894 329 L HN 0.247 nan 8.230 nan 0.000 0.432 330 M N -0.580 119.003 119.600 -0.027 0.000 2.213 330 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 330 M C 2.272 178.527 176.300 -0.077 0.000 1.062 330 M CA 1.522 56.804 55.300 -0.029 0.000 1.105 330 M CB -0.249 32.356 32.600 0.008 0.000 1.385 330 M HN 0.024 nan 8.290 nan 0.000 0.417 331 K N 0.480 120.805 120.400 -0.125 0.000 2.062 331 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 331 K C 1.591 178.075 176.600 -0.194 0.000 1.051 331 K CA 1.126 57.325 56.287 -0.147 0.000 0.941 331 K CB -0.430 31.972 32.500 -0.164 0.000 0.719 331 K HN 0.100 nan 8.250 nan 0.000 0.440 332 V N 0.540 120.264 119.914 -0.317 0.000 2.407 332 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 332 V C 2.350 178.350 176.094 -0.156 0.000 1.055 332 V CA 2.065 64.186 62.300 -0.298 0.000 1.049 332 V CB -0.539 31.017 31.823 -0.446 0.000 0.662 332 V HN 0.489 nan 8.190 nan 0.000 0.455 333 S N -0.690 114.936 115.700 -0.122 0.000 2.383 333 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 333 S C 2.074 176.640 174.600 -0.055 0.000 1.026 333 S CA 1.828 59.988 58.200 -0.066 0.000 0.981 333 S CB -0.216 62.959 63.200 -0.042 0.000 0.818 333 S HN 0.740 nan 8.310 nan 0.000 0.472 334 E N 0.022 120.184 120.200 -0.063 0.000 2.152 334 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 334 E C 1.882 178.450 176.600 -0.053 0.000 0.983 334 E CA 1.045 57.415 56.400 -0.050 0.000 0.818 334 E CB -0.118 29.553 29.700 -0.048 0.000 0.758 334 E HN 0.648 nan 8.360 nan 0.000 0.467 335 I N 0.673 121.201 120.570 -0.069 0.000 2.500 335 I HA -0.156 4.014 4.170 -0.000 0.000 0.252 335 I C 2.372 178.455 176.117 -0.056 0.000 1.142 335 I CA 1.070 62.330 61.300 -0.067 0.000 1.451 335 I CB 0.017 37.968 38.000 -0.082 0.000 1.093 335 I HN 0.127 nan 8.210 nan 0.000 0.430 336 S N -0.403 115.265 115.700 -0.052 0.000 2.517 336 S HA 0.255 4.725 4.470 -0.000 0.000 0.214 336 S C 1.736 176.320 174.600 -0.028 0.000 0.991 336 S CA 0.427 58.606 58.200 -0.036 0.000 0.906 336 S CB 0.737 63.921 63.200 -0.027 0.000 0.789 336 S HN 0.536 nan 8.310 nan 0.000 0.513 337 G N 0.891 109.673 108.800 -0.030 0.000 2.267 337 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 337 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 337 G C 0.027 174.918 174.900 -0.016 0.000 0.998 337 G CA 0.208 45.295 45.100 -0.022 0.000 0.620 337 G HN 0.534 nan 8.290 nan 0.000 0.529 338 Q N 1.731 121.523 119.800 -0.014 0.000 2.337 338 Q HA 0.343 4.683 4.340 -0.000 0.000 0.270 338 Q C -1.945 174.052 176.000 -0.005 0.000 1.002 338 Q CA -1.092 54.708 55.803 -0.005 0.000 0.888 338 Q CB 1.287 30.026 28.738 0.002 0.000 1.222 338 Q HN 0.443 nan 8.270 nan 0.000 0.400 339 P HA 0.232 nan 4.420 nan 0.000 0.276 339 P C -0.222 177.085 177.300 0.012 0.000 1.244 339 P CA -0.386 62.717 63.100 0.004 0.000 0.801 339 P CB 0.913 32.616 31.700 0.005 0.000 1.006 340 I N 3.448 124.028 120.570 0.018 0.000 2.436 340 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 340 I C -1.258 174.878 176.117 0.032 0.000 1.083 340 I CA -1.809 59.511 61.300 0.033 0.000 1.372 340 I CB 0.286 38.314 38.000 0.047 0.000 1.408 340 I HN 0.244 nan 8.210 nan 0.000 0.516 341 P HA 0.045 nan 4.420 nan 0.000 0.270 341 P C 0.428 177.744 177.300 0.027 0.000 1.223 341 P CA -0.282 62.835 63.100 0.029 0.000 0.785 341 P CB 1.034 32.753 31.700 0.032 0.000 0.923 342 A N 1.577 124.408 122.820 0.018 0.000 1.978 342 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 342 A C 2.548 180.138 177.584 0.010 0.000 1.170 342 A CA 2.141 54.185 52.037 0.010 0.000 0.636 342 A CB -1.470 17.533 19.000 0.006 0.000 0.810 342 A HN 0.649 nan 8.150 nan 0.000 0.448 343 S N -0.223 115.488 115.700 0.019 0.000 2.365 343 S HA -0.173 4.297 4.470 -0.000 0.000 0.221 343 S C 1.919 176.537 174.600 0.029 0.000 1.037 343 S CA 1.744 59.958 58.200 0.022 0.000 1.060 343 S CB -0.523 62.695 63.200 0.030 0.000 0.974 343 S HN 0.514 nan 8.310 nan 0.000 0.427 344 L N 0.689 121.946 121.223 0.056 0.000 2.131 344 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 344 L C 2.699 179.591 176.870 0.038 0.000 1.092 344 L CA 1.534 56.434 54.840 0.100 0.000 0.759 344 L CB -1.025 41.128 42.059 0.158 0.000 0.903 344 L HN 0.409 nan 8.230 nan 0.000 0.435 345 T N -0.797 113.764 114.554 0.011 0.000 2.821 345 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 345 T C 1.930 176.579 174.700 -0.085 0.000 1.046 345 T CA 1.264 63.343 62.100 -0.035 0.000 1.139 345 T CB -0.044 68.816 68.868 -0.014 0.000 0.871 345 T HN 0.271 nan 8.240 nan 0.000 0.454 346 K N 0.995 121.361 120.400 -0.057 0.000 2.057 346 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 346 K C 2.352 178.892 176.600 -0.100 0.000 1.050 346 K CA 1.240 57.489 56.287 -0.063 0.000 0.935 346 K CB -0.059 32.422 32.500 -0.032 0.000 0.715 346 K HN 0.346 nan 8.250 nan 0.000 0.439 347 E N 0.666 120.809 120.200 -0.094 0.000 2.085 347 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 347 E C 2.178 178.581 176.600 -0.328 0.000 0.994 347 E CA 1.078 57.412 56.400 -0.110 0.000 0.801 347 E CB 0.009 29.721 29.700 0.020 0.000 0.743 347 E HN 0.229 nan 8.360 nan 0.000 0.453 348 R N -0.253 119.873 120.500 -0.623 0.000 2.096 348 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 348 R C 2.273 178.314 176.300 -0.432 0.000 1.127 348 R CA 1.593 57.090 56.100 -1.005 0.000 0.968 348 R CB -0.469 29.289 30.300 -0.904 0.000 0.861 348 R HN 0.214 nan 8.270 nan 0.000 0.440 349 G N 0.141 108.788 108.800 -0.255 0.000 2.443 349 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 349 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 349 G C 1.377 176.214 174.900 -0.105 0.000 1.131 349 G CA 0.223 45.237 45.100 -0.142 0.000 0.775 349 G HN 0.313 nan 8.290 nan 0.000 0.547 350 R N -0.792 119.642 120.500 -0.110 0.000 2.119 350 R HA 0.110 4.450 4.340 -0.000 0.000 0.222 350 R C 2.362 178.634 176.300 -0.047 0.000 1.088 350 R CA 0.694 56.756 56.100 -0.063 0.000 0.984 350 R CB -0.331 29.939 30.300 -0.050 0.000 0.884 350 R HN 0.371 nan 8.270 nan 0.000 0.447 351 L N 0.635 121.814 121.223 -0.073 0.000 2.027 351 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 351 L C 1.956 178.827 176.870 0.003 0.000 1.074 351 L CA 1.590 56.420 54.840 -0.016 0.000 0.745 351 L CB -0.381 41.672 42.059 -0.010 0.000 0.898 351 L HN -0.128 nan 8.230 nan 0.000 0.433 352 V N 0.263 120.156 119.914 -0.035 0.000 2.392 352 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 352 V C 2.355 178.444 176.094 -0.008 0.000 1.059 352 V CA 2.060 64.349 62.300 -0.019 0.000 1.051 352 V CB -0.915 30.882 31.823 -0.043 0.000 0.658 352 V HN 0.615 nan 8.190 nan 0.000 0.455 353 D N -0.392 119.999 120.400 -0.014 0.000 2.097 353 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 353 D C 2.197 178.509 176.300 0.020 0.000 0.989 353 D CA 1.724 55.723 54.000 -0.001 0.000 0.827 353 D CB -0.143 40.652 40.800 -0.008 0.000 0.966 353 D HN 0.367 nan 8.370 nan 0.000 0.456 354 M N -0.654 118.960 119.600 0.023 0.000 2.159 354 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 354 M C 2.308 178.640 176.300 0.053 0.000 1.063 354 M CA 1.223 56.547 55.300 0.039 0.000 1.110 354 M CB -0.229 32.395 32.600 0.041 0.000 1.374 354 M HN 0.179 nan 8.290 nan 0.000 0.411 355 M N -0.342 119.288 119.600 0.050 0.000 2.117 355 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 355 M C 2.412 178.756 176.300 0.073 0.000 1.065 355 M CA 2.202 57.528 55.300 0.044 0.000 1.114 355 M CB -0.813 31.801 32.600 0.023 0.000 1.361 355 M HN 0.454 nan 8.290 nan 0.000 0.408 356 T N -2.322 112.267 114.554 0.057 0.000 2.821 356 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 356 T C 1.299 176.124 174.700 0.209 0.000 1.046 356 T CA 1.465 63.620 62.100 0.092 0.000 1.139 356 T CB -0.465 68.415 68.868 0.020 0.000 0.871 356 T HN 0.223 nan 8.240 nan 0.000 0.454 357 D N 1.316 121.787 120.400 0.118 0.000 2.269 357 D HA 0.064 4.704 4.640 -0.000 0.000 0.208 357 D C 1.684 178.043 176.300 0.098 0.000 0.963 357 D CA 0.830 54.888 54.000 0.097 0.000 0.864 357 D CB -0.096 40.743 40.800 0.064 0.000 0.936 357 D HN 0.453 nan 8.370 nan 0.000 0.505 358 S N -0.623 115.143 115.700 0.110 0.000 2.629 358 S HA -0.022 4.448 4.470 -0.000 0.000 0.236 358 S C 1.510 176.159 174.600 0.081 0.000 1.010 358 S CA -0.547 57.721 58.200 0.113 0.000 0.981 358 S CB 0.124 63.387 63.200 0.104 0.000 0.919 358 S HN 0.456 nan 8.310 nan 0.000 0.514 359 H N 1.879 120.955 119.070 0.011 0.000 2.422 359 H HA -0.098 4.458 4.556 -0.000 0.000 0.298 359 H C 1.930 177.249 175.328 -0.016 0.000 1.098 359 H CA 1.909 57.950 56.048 -0.012 0.000 1.315 359 H CB -0.978 28.765 29.762 -0.032 0.000 1.382 359 H HN 0.458 nan 8.280 nan 0.000 0.523 360 T N -2.626 111.479 114.554 -0.748 0.000 2.915 360 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 360 T C 1.811 176.263 174.700 -0.413 0.000 1.071 360 T CA 0.972 62.692 62.100 -0.634 0.000 1.132 360 T CB -0.748 67.630 68.868 -0.817 0.000 0.878 360 T HN 0.542 nan 8.240 nan 0.000 0.479 361 W N 0.558 121.799 121.300 -0.097 0.000 2.576 361 W HA 0.442 5.102 4.660 -0.000 0.000 0.270 361 W C 2.008 178.531 176.519 0.006 0.000 1.255 361 W CA -0.502 56.822 57.345 -0.035 0.000 1.314 361 W CB 0.029 29.463 29.460 -0.043 0.000 1.101 361 W HN 0.181 nan 8.180 nan 0.000 0.595 362 L N -0.688 120.655 121.223 0.200 0.000 2.375 362 L HA 0.005 4.345 4.340 -0.000 0.000 0.215 362 L C 1.339 178.272 176.870 0.105 0.000 1.108 362 L CA 0.204 55.128 54.840 0.139 0.000 0.830 362 L CB -0.684 41.405 42.059 0.050 0.000 0.959 362 L HN -0.035 nan 8.230 nan 0.000 0.457 363 H N 0.880 119.961 119.070 0.018 0.000 3.004 363 H HA 0.034 4.590 4.556 -0.000 0.000 0.316 363 H C 1.083 176.441 175.328 0.050 0.000 1.014 363 H CA 1.183 57.237 56.048 0.010 0.000 1.454 363 H CB 0.868 30.644 29.762 0.024 0.000 1.472 363 H HN 0.334 nan 8.280 nan 0.000 0.571 364 G N 5.014 113.548 108.800 -0.444 0.000 2.184 364 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 364 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 364 G C 0.197 175.072 174.900 -0.041 0.000 0.975 364 G CA 0.162 45.143 45.100 -0.197 0.000 0.642 364 G HN 0.549 nan 8.290 nan 0.000 0.536 365 K N 1.481 121.882 120.400 0.001 0.000 2.412 365 K HA 0.243 4.563 4.320 -0.000 0.000 0.284 365 K C 0.935 177.468 176.600 -0.112 0.000 1.046 365 K CA 0.022 56.278 56.287 -0.052 0.000 0.999 365 K CB 0.438 32.924 32.500 -0.023 0.000 0.941 365 K HN 0.525 nan 8.250 nan 0.000 0.474 366 R N 2.846 123.232 120.500 -0.189 0.000 2.340 366 R HA 0.351 4.691 4.340 -0.000 0.000 0.300 366 R C -0.300 175.855 176.300 -0.242 0.000 1.069 366 R CA -0.196 55.839 56.100 -0.107 0.000 0.984 366 R CB 0.386 30.640 30.300 -0.076 0.000 1.003 366 R HN 0.288 nan 8.270 nan 0.000 0.459 367 F N 0.462 120.450 119.950 0.063 0.000 2.563 367 F HA 0.576 5.103 4.527 -0.000 0.000 0.316 367 F C 0.052 175.935 175.800 0.137 0.000 1.076 367 F CA -0.994 57.075 58.000 0.115 0.000 0.921 367 F CB 2.018 41.067 39.000 0.082 0.000 1.209 367 F HN 0.495 nan 8.300 nan 0.000 0.462 368 A N 3.020 126.090 122.820 0.417 0.000 2.330 368 A HA 0.947 5.267 4.320 -0.000 0.000 0.327 368 A C -1.410 176.440 177.584 0.444 0.000 1.155 368 A CA -0.563 51.736 52.037 0.437 0.000 0.803 368 A CB 0.971 20.242 19.000 0.452 0.000 1.208 368 A HN 0.817 nan 8.150 nan 0.000 0.477 369 L N -1.125 120.366 121.223 0.447 0.000 2.540 369 L HA 1.034 5.374 4.340 -0.000 0.000 0.256 369 L C -0.988 176.203 176.870 0.534 0.000 1.001 369 L CA -0.687 54.371 54.840 0.363 0.000 0.843 369 L CB 1.062 43.222 42.059 0.170 0.000 1.436 369 L HN 0.998 nan 8.230 nan 0.000 0.410 370 W N 0.202 121.660 121.300 0.263 0.000 3.042 370 W HA 0.997 5.657 4.660 -0.000 0.000 0.342 370 W C -0.273 176.436 176.519 0.318 0.000 1.240 370 W CA -0.295 57.209 57.345 0.265 0.000 1.166 370 W CB 0.943 30.532 29.460 0.215 0.000 1.469 370 W HN 1.103 nan 8.180 nan 0.000 0.579 371 G N 0.102 109.205 108.800 0.504 0.000 2.368 371 G HA2 0.186 4.146 3.960 -0.000 0.000 0.269 371 G HA3 0.186 4.146 3.960 -0.000 0.000 0.269 371 G C -1.675 173.404 174.900 0.299 0.000 1.291 371 G CA -0.848 44.479 45.100 0.378 0.000 0.903 371 G HN 0.618 nan 8.290 nan 0.000 0.483 372 D N 0.902 121.452 120.400 0.250 0.000 2.344 372 D HA 0.367 5.007 4.640 -0.000 0.000 0.244 372 D C -1.245 175.097 176.300 0.069 0.000 1.134 372 D CA -1.019 53.042 54.000 0.102 0.000 0.930 372 D CB 1.506 42.346 40.800 0.068 0.000 1.175 372 D HN -0.053 nan 8.370 nan 0.000 0.437 373 P HA -0.194 nan 4.420 nan 0.000 0.212 373 P C 0.458 177.857 177.300 0.166 0.000 1.174 373 P CA 1.601 64.425 63.100 -0.459 0.000 0.934 373 P CB 0.202 31.520 31.700 -0.636 0.000 0.791 374 D N -1.855 118.719 120.400 0.290 0.000 2.104 374 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 374 D C 1.687 178.197 176.300 0.349 0.000 0.994 374 D CA 0.894 55.120 54.000 0.375 0.000 0.830 374 D CB -0.847 40.133 40.800 0.301 0.000 0.959 374 D HN 0.099 nan 8.370 nan 0.000 0.452 375 F N 1.438 121.507 119.950 0.197 0.000 2.046 375 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 375 F C 2.139 178.056 175.800 0.195 0.000 1.123 375 F CA 1.203 59.304 58.000 0.170 0.000 1.199 375 F CB -0.645 38.443 39.000 0.147 0.000 0.972 375 F HN -0.176 nan 8.300 nan 0.000 0.474 376 V N 1.110 121.129 119.914 0.175 0.000 2.324 376 V HA -0.402 3.718 4.120 -0.000 0.000 0.250 376 V C 2.560 178.733 176.094 0.131 0.000 1.060 376 V CA 2.421 64.791 62.300 0.115 0.000 1.042 376 V CB -0.728 31.320 31.823 0.375 0.000 0.650 376 V HN 0.615 nan 8.190 nan 0.000 0.450 377 M N 0.069 119.856 119.600 0.312 0.000 2.175 377 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 377 M C 2.026 178.471 176.300 0.242 0.000 1.063 377 M CA 2.175 57.652 55.300 0.295 0.000 1.119 377 M CB -0.525 32.325 32.600 0.418 0.000 1.377 377 M HN 0.384 nan 8.290 nan 0.000 0.415 378 G N 0.604 109.547 108.800 0.239 0.000 2.421 378 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 378 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 378 G C 1.452 176.276 174.900 -0.128 0.000 1.171 378 G CA 0.698 45.881 45.100 0.138 0.000 0.775 378 G HN 0.440 nan 8.290 nan 0.000 0.543 379 L N 0.183 121.252 121.223 -0.257 0.000 2.046 379 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 379 L C 3.066 179.826 176.870 -0.182 0.000 1.077 379 L CA 0.668 55.345 54.840 -0.271 0.000 0.747 379 L CB -0.326 41.462 42.059 -0.452 0.000 0.896 379 L HN 0.119 nan 8.230 nan 0.000 0.432 380 V N 0.006 119.836 119.914 -0.139 0.000 2.287 380 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 380 V C 2.522 178.509 176.094 -0.178 0.000 1.053 380 V CA 2.064 64.293 62.300 -0.119 0.000 1.027 380 V CB -0.535 31.255 31.823 -0.054 0.000 0.646 380 V HN 0.389 nan 8.190 nan 0.000 0.447 381 K N 0.029 120.271 120.400 -0.264 0.000 2.063 381 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 381 K C 1.928 178.347 176.600 -0.302 0.000 1.048 381 K CA 1.767 57.786 56.287 -0.446 0.000 0.928 381 K CB -0.646 31.177 32.500 -1.128 0.000 0.713 381 K HN 0.338 nan 8.250 nan 0.000 0.442 382 F N 0.393 120.100 119.950 -0.405 0.000 2.146 382 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 382 F C 1.644 177.277 175.800 -0.278 0.000 1.096 382 F CA 0.835 58.645 58.000 -0.317 0.000 1.275 382 F CB -0.652 38.181 39.000 -0.278 0.000 1.008 382 F HN 0.003 nan 8.300 nan 0.000 0.480 383 L N 0.323 121.327 121.223 -0.366 0.000 2.013 383 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 383 L C 2.453 179.093 176.870 -0.385 0.000 1.073 383 L CA 1.734 56.299 54.840 -0.459 0.000 0.753 383 L CB -1.354 40.489 42.059 -0.361 0.000 0.890 383 L HN 0.185 nan 8.230 nan 0.000 0.432 384 L N -1.132 119.927 121.223 -0.272 0.000 2.046 384 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 384 L C 2.384 179.091 176.870 -0.272 0.000 1.077 384 L CA 1.265 55.977 54.840 -0.213 0.000 0.747 384 L CB -0.568 41.427 42.059 -0.107 0.000 0.896 384 L HN 0.351 nan 8.230 nan 0.000 0.432 385 E N 0.137 120.183 120.200 -0.257 0.000 2.204 385 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 385 E C 2.140 178.564 176.600 -0.293 0.000 0.990 385 E CA 0.851 57.126 56.400 -0.208 0.000 0.821 385 E CB -0.073 29.560 29.700 -0.111 0.000 0.750 385 E HN 0.512 nan 8.360 nan 0.000 0.477 386 L N -0.339 120.619 121.223 -0.441 0.000 2.554 386 L HA 0.085 4.425 4.340 -0.000 0.000 0.226 386 L C 1.327 177.962 176.870 -0.393 0.000 1.137 386 L CA 0.422 55.009 54.840 -0.422 0.000 0.863 386 L CB -0.097 41.624 42.059 -0.563 0.000 0.985 386 L HN 0.299 nan 8.230 nan 0.000 0.451 387 G N -0.648 107.779 108.800 -0.623 0.000 2.137 387 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.237 387 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.237 387 G C 0.172 174.587 174.900 -0.808 0.000 1.002 387 G CA -0.026 44.416 45.100 -1.096 0.000 0.702 387 G HN 0.327 nan 8.290 nan 0.000 0.515 388 C N -0.147 118.875 119.300 -0.464 0.000 2.362 388 C HA 0.661 5.121 4.460 -0.000 0.000 0.363 388 C C 0.788 175.748 174.990 -0.050 0.000 1.220 388 C CA -0.498 58.433 59.018 -0.145 0.000 2.379 388 C CB 1.412 29.149 27.740 -0.006 0.000 2.351 388 C HN 0.520 nan 8.230 nan 0.000 0.582 389 E N 2.393 122.652 120.200 0.099 0.000 2.173 389 E HA 0.220 4.570 4.350 -0.000 0.000 0.249 389 E C -2.372 174.312 176.600 0.139 0.000 0.923 389 E CA -1.351 55.111 56.400 0.104 0.000 0.754 389 E CB 0.883 30.623 29.700 0.066 0.000 1.177 389 E HN 0.464 nan 8.360 nan 0.000 0.430 390 P HA -0.043 nan 4.420 nan 0.000 0.276 390 P C 0.660 177.993 177.300 0.055 0.000 1.253 390 P CA 0.100 63.270 63.100 0.116 0.000 0.766 390 P CB 1.402 33.134 31.700 0.053 0.000 0.845 391 V N 1.248 121.166 119.914 0.008 0.000 2.908 391 V HA 0.222 4.342 4.120 -0.000 0.000 0.240 391 V C 0.536 176.493 176.094 -0.227 0.000 1.117 391 V CA 0.835 63.021 62.300 -0.190 0.000 1.133 391 V CB -0.847 30.744 31.823 -0.386 0.000 0.857 391 V HN 0.446 nan 8.190 nan 0.000 0.478 392 H N 1.176 120.385 119.070 0.231 0.000 2.708 392 H HA 0.628 5.184 4.556 -0.000 0.000 0.320 392 H C -1.023 174.510 175.328 0.341 0.000 0.991 392 H CA -0.764 55.476 56.048 0.320 0.000 1.243 392 H CB 1.606 31.519 29.762 0.252 0.000 1.446 392 H HN 0.326 nan 8.280 nan 0.000 0.502 393 I N 4.639 125.493 120.570 0.474 0.000 2.354 393 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 393 I C -0.312 176.112 176.117 0.512 0.000 1.007 393 I CA -0.319 61.225 61.300 0.408 0.000 1.167 393 I CB 1.687 39.846 38.000 0.266 0.000 1.320 393 I HN 0.248 nan 8.210 nan 0.000 0.458 394 L N 7.142 128.666 121.223 0.501 0.000 2.356 394 L HA 0.598 4.938 4.340 -0.000 0.000 0.277 394 L C -1.160 175.964 176.870 0.424 0.000 0.996 394 L CA -0.301 54.812 54.840 0.456 0.000 0.822 394 L CB 1.697 43.951 42.059 0.326 0.000 1.256 394 L HN 0.733 nan 8.230 nan 0.000 0.413 395 C N 3.982 123.483 119.300 0.335 0.000 2.534 395 C HA 0.286 4.746 4.460 -0.000 0.000 0.309 395 C C 1.260 176.334 174.990 0.141 0.000 1.072 395 C CA -0.494 58.613 59.018 0.148 0.000 1.441 395 C CB -0.151 27.430 27.740 -0.266 0.000 1.906 395 C HN 1.089 nan 8.230 nan 0.000 0.429 396 H N 3.371 122.480 119.070 0.064 0.000 2.387 396 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 396 H C 1.528 176.854 175.328 -0.003 0.000 1.099 396 H CA 1.984 58.056 56.048 0.039 0.000 1.315 396 H CB 0.358 30.146 29.762 0.044 0.000 1.380 396 H HN 0.880 nan 8.280 nan 0.000 0.513 397 N N -0.073 118.632 118.700 0.009 0.000 2.320 397 N HA 0.121 4.861 4.740 -0.000 0.000 0.237 397 N C 0.392 175.804 175.510 -0.164 0.000 1.129 397 N CA -0.173 52.811 53.050 -0.111 0.000 0.854 397 N CB 0.964 39.352 38.487 -0.165 0.000 1.083 397 N HN 0.072 nan 8.380 nan 0.000 0.504 398 G N 0.769 109.455 108.800 -0.191 0.000 2.528 398 G HA2 0.338 4.298 3.960 -0.000 0.000 0.289 398 G HA3 0.338 4.298 3.960 -0.000 0.000 0.289 398 G C -0.408 174.483 174.900 -0.015 0.000 1.192 398 G CA -0.554 44.354 45.100 -0.319 0.000 0.921 398 G HN 0.504 nan 8.290 nan 0.000 0.512 399 N N -1.817 116.938 118.700 0.092 0.000 2.701 399 N HA 0.297 5.037 4.740 -0.000 0.000 0.290 399 N C 0.715 176.352 175.510 0.212 0.000 1.338 399 N CA -0.978 52.167 53.050 0.159 0.000 0.799 399 N CB 1.576 40.163 38.487 0.166 0.000 1.491 399 N HN 0.333 nan 8.380 nan 0.000 0.540 400 K N -0.096 120.402 120.400 0.164 0.000 2.063 400 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 400 K C 1.698 178.372 176.600 0.124 0.000 1.048 400 K CA 1.485 57.851 56.287 0.132 0.000 0.928 400 K CB -0.173 32.391 32.500 0.105 0.000 0.713 400 K HN 0.418 nan 8.250 nan 0.000 0.442 401 R N -0.257 120.353 120.500 0.184 0.000 2.073 401 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 401 R C 2.077 178.415 176.300 0.062 0.000 1.134 401 R CA 1.802 58.040 56.100 0.230 0.000 0.952 401 R CB -0.481 30.078 30.300 0.431 0.000 0.850 401 R HN 0.378 nan 8.270 nan 0.000 0.433 402 W N 2.331 123.393 121.300 -0.397 0.000 2.338 402 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 402 W C 2.051 178.265 176.519 -0.509 0.000 1.212 402 W CA 1.471 58.152 57.345 -1.106 0.000 1.264 402 W CB -0.098 28.791 29.460 -0.953 0.000 1.142 402 W HN -0.070 nan 8.180 nan 0.000 0.512 403 K N 0.822 121.110 120.400 -0.187 0.000 2.097 403 K HA -0.263 4.057 4.320 -0.000 0.000 0.206 403 K C 2.260 178.668 176.600 -0.320 0.000 1.049 403 K CA 1.810 57.907 56.287 -0.317 0.000 0.933 403 K CB -0.440 32.059 32.500 -0.001 0.000 0.717 403 K HN 0.162 nan 8.250 nan 0.000 0.442 404 K N -0.005 120.287 120.400 -0.181 0.000 2.097 404 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 404 K C 1.886 178.401 176.600 -0.142 0.000 1.050 404 K CA 1.131 57.353 56.287 -0.109 0.000 0.938 404 K CB -0.094 32.399 32.500 -0.012 0.000 0.718 404 K HN 0.205 nan 8.250 nan 0.000 0.442 405 A N 0.586 123.281 122.820 -0.209 0.000 1.929 405 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 405 A C 2.162 179.591 177.584 -0.258 0.000 1.176 405 A CA 1.208 53.153 52.037 -0.154 0.000 0.628 405 A CB -0.392 18.574 19.000 -0.057 0.000 0.816 405 A HN 0.156 nan 8.150 nan 0.000 0.444 406 V N 0.690 120.281 119.914 -0.540 0.000 2.427 406 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 406 V C 2.049 177.980 176.094 -0.271 0.000 1.051 406 V CA 2.131 64.135 62.300 -0.494 0.000 1.048 406 V CB -0.748 30.555 31.823 -0.867 0.000 0.666 406 V HN 0.490 nan 8.190 nan 0.000 0.456 407 D N 0.577 120.828 120.400 -0.248 0.000 2.144 407 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 407 D C 2.225 178.471 176.300 -0.090 0.000 0.984 407 D CA 1.610 55.521 54.000 -0.148 0.000 0.834 407 D CB -0.139 40.584 40.800 -0.128 0.000 0.955 407 D HN 0.461 nan 8.370 nan 0.000 0.465 408 A N 0.711 123.486 122.820 -0.075 0.000 1.930 408 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 408 A C 2.343 179.926 177.584 -0.003 0.000 1.175 408 A CA 0.717 52.739 52.037 -0.025 0.000 0.627 408 A CB -0.572 18.426 19.000 -0.002 0.000 0.815 408 A HN 0.175 nan 8.150 nan 0.000 0.443 409 I N -0.548 120.021 120.570 -0.002 0.000 2.315 409 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 409 I C 2.276 178.387 176.117 -0.010 0.000 1.117 409 I CA 0.862 62.180 61.300 0.031 0.000 1.404 409 I CB -0.206 37.835 38.000 0.068 0.000 1.071 409 I HN 0.275 nan 8.210 nan 0.000 0.419 410 L N 0.330 121.529 121.223 -0.040 0.000 2.109 410 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 410 L C 2.734 179.588 176.870 -0.027 0.000 1.086 410 L CA 1.120 55.937 54.840 -0.038 0.000 0.760 410 L CB -0.534 41.490 42.059 -0.057 0.000 0.910 410 L HN 0.215 nan 8.230 nan 0.000 0.437 411 A N -0.208 122.595 122.820 -0.028 0.000 2.014 411 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 411 A C 2.320 179.895 177.584 -0.014 0.000 1.163 411 A CA 1.210 53.232 52.037 -0.024 0.000 0.652 411 A CB -0.449 18.536 19.000 -0.025 0.000 0.808 411 A HN 0.359 nan 8.150 nan 0.000 0.449 412 A N -0.981 121.837 122.820 -0.003 0.000 2.239 412 A HA 0.337 4.657 4.320 -0.000 0.000 0.209 412 A C 1.124 178.712 177.584 0.007 0.000 1.171 412 A CA 0.985 53.027 52.037 0.008 0.000 0.768 412 A CB -0.340 18.675 19.000 0.026 0.000 0.790 412 A HN 0.513 nan 8.150 nan 0.000 0.478 413 S N -1.343 114.359 115.700 0.003 0.000 2.538 413 S HA 0.556 5.026 4.470 -0.000 0.000 0.288 413 S C -2.435 172.148 174.600 -0.029 0.000 1.108 413 S CA -1.286 56.925 58.200 0.018 0.000 0.971 413 S CB 1.649 64.890 63.200 0.068 0.000 1.041 413 S HN -0.018 nan 8.310 nan 0.000 0.483 414 P HA 0.012 nan 4.420 nan 0.000 0.222 414 P C 0.203 177.326 177.300 -0.295 0.000 1.147 414 P CA 0.920 63.874 63.100 -0.243 0.000 0.790 414 P CB -0.056 31.417 31.700 -0.377 0.000 0.780 415 Y N -1.138 119.135 120.300 -0.045 0.000 2.578 415 Y HA 0.179 4.729 4.550 -0.000 0.000 0.297 415 Y C 2.286 178.152 175.900 -0.056 0.000 1.176 415 Y CA 0.801 58.865 58.100 -0.060 0.000 1.315 415 Y CB -0.853 37.560 38.460 -0.078 0.000 1.031 415 Y HN -0.046 nan 8.280 nan 0.000 0.524 416 G N -0.547 108.282 108.800 0.048 0.000 3.337 416 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.246 416 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.246 416 G C 1.554 176.445 174.900 -0.016 0.000 1.131 416 G CA -0.215 44.893 45.100 0.013 0.000 0.773 416 G HN 0.269 nan 8.290 nan 0.000 0.544 417 K N 1.067 121.450 120.400 -0.029 0.000 2.063 417 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 417 K C 1.135 177.716 176.600 -0.031 0.000 1.048 417 K CA 1.227 57.491 56.287 -0.039 0.000 0.928 417 K CB -0.017 32.451 32.500 -0.054 0.000 0.713 417 K HN 0.199 nan 8.250 nan 0.000 0.442 418 N N 0.253 118.939 118.700 -0.025 0.000 2.235 418 N HA 0.094 4.834 4.740 -0.000 0.000 0.209 418 N C -0.607 174.883 175.510 -0.033 0.000 1.122 418 N CA 0.137 53.170 53.050 -0.027 0.000 0.845 418 N CB 1.059 39.530 38.487 -0.028 0.000 1.004 418 N HN 0.150 nan 8.380 nan 0.000 0.499 419 A N 0.468 123.273 122.820 -0.026 0.000 2.327 419 A HA 0.621 4.941 4.320 -0.000 0.000 0.283 419 A C 0.152 177.720 177.584 -0.026 0.000 1.127 419 A CA 0.079 52.105 52.037 -0.018 0.000 0.810 419 A CB 0.680 19.676 19.000 -0.007 0.000 1.066 419 A HN 0.025 nan 8.150 nan 0.000 0.492 420 T N 1.223 115.777 114.554 0.000 0.000 2.886 420 T HA 0.512 4.862 4.350 -0.000 0.000 0.292 420 T C -0.791 173.815 174.700 -0.156 0.000 1.012 420 T CA -0.329 61.696 62.100 -0.125 0.000 0.982 420 T CB 1.487 70.249 68.868 -0.177 0.000 1.018 420 T HN 0.456 nan 8.240 nan 0.000 0.451 421 V N 3.756 123.509 119.914 -0.267 0.000 2.398 421 V HA 0.471 4.591 4.120 -0.000 0.000 0.286 421 V C -1.248 174.712 176.094 -0.223 0.000 1.026 421 V CA -0.793 61.438 62.300 -0.115 0.000 0.868 421 V CB 0.569 32.327 31.823 -0.109 0.000 0.982 421 V HN 0.804 nan 8.190 nan 0.000 0.443 422 Y N 5.245 125.668 120.300 0.204 0.000 2.341 422 Y HA 0.721 5.271 4.550 -0.000 0.000 0.338 422 Y C 0.315 176.332 175.900 0.196 0.000 0.965 422 Y CA -0.854 57.353 58.100 0.177 0.000 1.108 422 Y CB 1.624 40.184 38.460 0.167 0.000 1.180 422 Y HN 0.614 nan 8.280 nan 0.000 0.458 423 I N -1.232 119.507 120.570 0.282 0.000 2.693 423 I HA 0.872 5.042 4.170 -0.000 0.000 0.303 423 I C 0.848 177.064 176.117 0.164 0.000 1.025 423 I CA -1.107 60.332 61.300 0.231 0.000 1.086 423 I CB 2.134 40.269 38.000 0.225 0.000 1.268 423 I HN 0.734 nan 8.210 nan 0.000 0.440 424 G N 2.551 111.460 108.800 0.182 0.000 2.168 424 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 424 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 424 G C -0.007 174.891 174.900 -0.003 0.000 0.997 424 G CA 0.079 45.289 45.100 0.184 0.000 0.708 424 G HN 0.632 nan 8.290 nan 0.000 0.520 425 K N 0.713 121.040 120.400 -0.120 0.000 2.208 425 K HA 0.602 4.922 4.320 -0.000 0.000 0.247 425 K C 0.107 176.455 176.600 -0.419 0.000 0.953 425 K CA -0.240 55.858 56.287 -0.314 0.000 0.837 425 K CB 1.811 34.079 32.500 -0.386 0.000 1.131 425 K HN 0.449 nan 8.250 nan 0.000 0.431 426 D N -0.919 119.359 120.400 -0.204 0.000 2.592 426 D HA 0.239 4.879 4.640 -0.000 0.000 0.259 426 D C 1.066 177.240 176.300 -0.210 0.000 1.144 426 D CA -0.769 53.026 54.000 -0.340 0.000 1.080 426 D CB 0.522 41.138 40.800 -0.306 0.000 1.225 426 D HN 0.236 nan 8.370 nan 0.000 0.619 427 L N -0.738 120.347 121.223 -0.231 0.000 2.362 427 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 427 L C 1.593 178.390 176.870 -0.121 0.000 1.134 427 L CA 0.531 55.212 54.840 -0.265 0.000 0.807 427 L CB -0.267 41.624 42.059 -0.280 0.000 0.927 427 L HN 0.507 nan 8.230 nan 0.000 0.447 428 W N 0.280 121.409 121.300 -0.284 0.000 2.576 428 W HA -0.094 4.566 4.660 -0.000 0.000 0.270 428 W C 2.115 178.459 176.519 -0.291 0.000 1.255 428 W CA 0.902 58.092 57.345 -0.259 0.000 1.314 428 W CB 0.021 29.300 29.460 -0.302 0.000 1.101 428 W HN 0.293 nan 8.180 nan 0.000 0.595 429 H N -0.151 118.761 119.070 -0.264 0.000 2.333 429 H HA -0.177 4.379 4.556 -0.000 0.000 0.302 429 H C 2.098 177.228 175.328 -0.330 0.000 1.075 429 H CA 1.907 57.656 56.048 -0.497 0.000 1.348 429 H CB -0.412 28.876 29.762 -0.791 0.000 1.393 429 H HN 0.001 nan 8.280 nan 0.000 0.509 430 L N 1.146 122.254 121.223 -0.191 0.000 2.131 430 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 430 L C 2.410 179.133 176.870 -0.246 0.000 1.092 430 L CA 1.427 56.133 54.840 -0.223 0.000 0.759 430 L CB -0.438 41.466 42.059 -0.257 0.000 0.903 430 L HN 0.113 nan 8.230 nan 0.000 0.435 431 R N -1.157 119.167 120.500 -0.293 0.000 2.083 431 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 431 R C 2.234 178.398 176.300 -0.226 0.000 1.137 431 R CA 1.863 57.764 56.100 -0.332 0.000 0.951 431 R CB -0.311 29.666 30.300 -0.539 0.000 0.851 431 R HN 0.410 nan 8.270 nan 0.000 0.434 432 S N 0.852 116.430 115.700 -0.204 0.000 2.368 432 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 432 S C 1.866 176.439 174.600 -0.045 0.000 1.030 432 S CA 1.227 59.401 58.200 -0.043 0.000 0.999 432 S CB -0.163 63.062 63.200 0.043 0.000 0.844 432 S HN 0.300 nan 8.310 nan 0.000 0.459 433 L N 1.445 122.572 121.223 -0.159 0.000 2.083 433 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 433 L C 2.269 178.935 176.870 -0.340 0.000 1.083 433 L CA 1.004 55.619 54.840 -0.375 0.000 0.752 433 L CB -0.714 40.904 42.059 -0.736 0.000 0.899 433 L HN 0.341 nan 8.230 nan 0.000 0.433 434 V N -5.422 114.334 119.914 -0.264 0.000 3.573 434 V HA -0.034 4.087 4.120 -0.000 0.000 0.270 434 V C 1.800 177.753 176.094 -0.235 0.000 1.221 434 V CA 0.801 62.984 62.300 -0.194 0.000 1.163 434 V CB -0.580 31.112 31.823 -0.218 0.000 0.847 434 V HN 0.142 nan 8.190 nan 0.000 0.468 435 F N 2.156 122.042 119.950 -0.107 0.000 2.419 435 F HA 0.128 4.655 4.527 -0.000 0.000 0.283 435 F C 2.760 178.504 175.800 -0.094 0.000 1.044 435 F CA 1.620 59.545 58.000 -0.124 0.000 1.376 435 F CB -0.718 38.145 39.000 -0.228 0.000 1.131 435 F HN 0.288 nan 8.300 nan 0.000 0.585 436 T N -3.324 111.291 114.554 0.102 0.000 2.985 436 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 436 T C 0.542 175.284 174.700 0.070 0.000 1.076 436 T CA 1.210 63.338 62.100 0.046 0.000 1.135 436 T CB -0.067 68.799 68.868 -0.003 0.000 0.890 436 T HN 0.003 nan 8.240 nan 0.000 0.480 437 D N 0.768 121.230 120.400 0.104 0.000 2.735 437 D HA 0.229 4.869 4.640 -0.000 0.000 0.291 437 D C -0.756 175.692 176.300 0.247 0.000 1.205 437 D CA -0.499 53.614 54.000 0.188 0.000 0.777 437 D CB 0.326 41.304 40.800 0.297 0.000 1.234 437 D HN 0.221 nan 8.370 nan 0.000 0.520 438 K N 2.222 122.705 120.400 0.139 0.000 2.491 438 K HA 0.081 4.401 4.320 -0.000 0.000 0.279 438 K C -2.243 174.394 176.600 0.062 0.000 1.026 438 K CA -0.570 55.773 56.287 0.093 0.000 1.070 438 K CB 0.584 33.136 32.500 0.087 0.000 0.887 438 K HN 0.243 nan 8.250 nan 0.000 0.481 439 P HA 0.189 nan 4.420 nan 0.000 0.285 439 P C -0.559 176.665 177.300 -0.127 0.000 1.280 439 P CA -0.541 62.552 63.100 -0.012 0.000 0.862 439 P CB 1.160 32.913 31.700 0.088 0.000 1.153 440 D N -0.187 120.080 120.400 -0.222 0.000 2.123 440 D HA 0.035 4.675 4.640 -0.000 0.000 0.200 440 D C 0.346 176.234 176.300 -0.688 0.000 0.976 440 D CA 1.730 55.484 54.000 -0.409 0.000 0.831 440 D CB -0.022 40.601 40.800 -0.295 0.000 0.974 440 D HN 0.326 nan 8.370 nan 0.000 0.469 441 F N -0.745 119.051 119.950 -0.258 0.000 2.664 441 F HA 0.405 4.932 4.527 -0.000 0.000 0.317 441 F C -0.047 175.806 175.800 0.089 0.000 1.108 441 F CA -1.297 56.657 58.000 -0.077 0.000 0.957 441 F CB 1.522 40.496 39.000 -0.043 0.000 1.365 441 F HN -0.329 nan 8.300 nan 0.000 0.475 442 M N 1.664 121.497 119.600 0.389 0.000 2.530 442 M HA 0.770 5.250 4.480 -0.000 0.000 0.307 442 M C -1.996 174.468 176.300 0.273 0.000 1.161 442 M CA -0.521 55.005 55.300 0.375 0.000 0.903 442 M CB 2.704 35.546 32.600 0.403 0.000 1.711 442 M HN 0.524 nan 8.290 nan 0.000 0.451 443 I N 2.572 123.223 120.570 0.135 0.000 2.382 443 I HA 0.845 5.015 4.170 -0.000 0.000 0.286 443 I C 0.108 175.899 176.117 -0.543 0.000 1.002 443 I CA -0.329 60.924 61.300 -0.077 0.000 1.135 443 I CB 1.653 39.639 38.000 -0.023 0.000 1.288 443 I HN 1.045 nan 8.210 nan 0.000 0.448 444 G N 4.447 112.822 108.800 -0.708 0.000 2.427 444 G HA2 0.222 4.182 3.960 -0.000 0.000 0.306 444 G HA3 0.222 4.182 3.960 -0.000 0.000 0.306 444 G C -1.524 173.045 174.900 -0.552 0.000 1.280 444 G CA -0.782 43.513 45.100 -1.342 0.000 0.837 444 G HN 0.588 nan 8.290 nan 0.000 0.482 445 N N -0.713 117.805 118.700 -0.304 0.000 2.366 445 N HA 0.325 5.065 4.740 -0.000 0.000 0.277 445 N C 1.254 176.735 175.510 -0.047 0.000 1.275 445 N CA 0.346 53.318 53.050 -0.131 0.000 0.964 445 N CB 0.375 38.776 38.487 -0.145 0.000 1.167 445 N HN 0.258 nan 8.380 nan 0.000 0.568 446 S N -1.668 113.862 115.700 -0.283 0.000 2.440 446 S HA -0.108 4.362 4.470 -0.000 0.000 0.238 446 S C 1.125 175.607 174.600 -0.198 0.000 1.010 446 S CA 0.713 58.746 58.200 -0.278 0.000 0.972 446 S CB -0.726 62.242 63.200 -0.387 0.000 0.774 446 S HN 0.473 nan 8.310 nan 0.000 0.501 447 Y N 1.489 121.854 120.300 0.108 0.000 2.483 447 Y HA 0.010 4.560 4.550 -0.000 0.000 0.291 447 Y C 2.443 178.456 175.900 0.189 0.000 1.143 447 Y CA 0.216 58.427 58.100 0.185 0.000 1.289 447 Y CB -1.037 37.556 38.460 0.221 0.000 0.983 447 Y HN 0.326 nan 8.280 nan 0.000 0.556 448 G N 0.238 109.297 108.800 0.432 0.000 2.744 448 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.211 448 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.211 448 G C 1.699 176.705 174.900 0.176 0.000 1.143 448 G CA 0.514 45.870 45.100 0.426 0.000 0.788 448 G HN 0.517 nan 8.290 nan 0.000 0.534 449 K N -0.277 120.097 120.400 -0.043 0.000 2.148 449 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 449 K C 1.721 178.243 176.600 -0.129 0.000 1.050 449 K CA 0.901 57.087 56.287 -0.168 0.000 0.942 449 K CB -0.447 31.834 32.500 -0.365 0.000 0.724 449 K HN 0.188 nan 8.250 nan 0.000 0.446 450 F N 1.842 121.877 119.950 0.142 0.000 2.293 450 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 450 F C 2.042 177.910 175.800 0.113 0.000 1.086 450 F CA 0.381 58.458 58.000 0.129 0.000 1.375 450 F CB -0.304 38.788 39.000 0.153 0.000 1.045 450 F HN -0.057 nan 8.300 nan 0.000 0.516 451 I N -0.586 120.119 120.570 0.225 0.000 2.406 451 I HA -0.237 3.933 4.170 -0.000 0.000 0.249 451 I C 2.507 178.659 176.117 0.059 0.000 1.122 451 I CA 0.986 62.347 61.300 0.102 0.000 1.431 451 I CB -0.453 37.562 38.000 0.026 0.000 1.087 451 I HN 0.162 nan 8.210 nan 0.000 0.424 452 Q N 1.382 121.229 119.800 0.078 0.000 2.119 452 Q HA -0.239 4.101 4.340 -0.000 0.000 0.201 452 Q C 2.395 178.446 176.000 0.084 0.000 0.972 452 Q CA 1.375 57.211 55.803 0.055 0.000 0.847 452 Q CB -0.016 28.755 28.738 0.055 0.000 0.903 452 Q HN 0.328 nan 8.270 nan 0.000 0.433 453 R N 0.114 120.686 120.500 0.119 0.000 2.073 453 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 453 R C 1.339 177.752 176.300 0.188 0.000 1.134 453 R CA 1.971 58.156 56.100 0.143 0.000 0.952 453 R CB -0.135 30.277 30.300 0.187 0.000 0.850 453 R HN 0.339 nan 8.270 nan 0.000 0.433 454 D N -0.159 120.386 120.400 0.241 0.000 2.084 454 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 454 D C 1.985 178.602 176.300 0.528 0.000 0.990 454 D CA 2.269 56.513 54.000 0.406 0.000 0.826 454 D CB -0.666 40.398 40.800 0.441 0.000 0.971 454 D HN 0.459 nan 8.370 nan 0.000 0.453 455 T N -0.050 114.644 114.554 0.233 0.000 2.684 455 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 455 T C 2.058 176.941 174.700 0.306 0.000 1.036 455 T CA 1.212 63.403 62.100 0.151 0.000 1.148 455 T CB -0.692 68.073 68.868 -0.171 0.000 0.863 455 T HN 0.100 nan 8.240 nan 0.000 0.436 456 L N 1.069 122.422 121.223 0.217 0.000 2.083 456 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 456 L C 2.492 179.508 176.870 0.243 0.000 1.083 456 L CA 1.963 56.920 54.840 0.196 0.000 0.752 456 L CB -1.137 40.999 42.059 0.128 0.000 0.899 456 L HN 0.510 nan 8.230 nan 0.000 0.433 457 H N -0.382 118.773 119.070 0.143 0.000 2.422 457 H HA -0.215 4.341 4.556 -0.000 0.000 0.298 457 H C 2.103 177.499 175.328 0.113 0.000 1.098 457 H CA 1.712 57.768 56.048 0.014 0.000 1.315 457 H CB 0.338 29.951 29.762 -0.248 0.000 1.382 457 H HN 0.410 nan 8.280 nan 0.000 0.523 458 K N 0.061 120.652 120.400 0.320 0.000 2.217 458 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 458 K C 0.110 176.891 176.600 0.302 0.000 1.051 458 K CA 0.827 57.283 56.287 0.282 0.000 0.952 458 K CB 0.331 32.978 32.500 0.245 0.000 0.736 458 K HN 0.433 nan 8.250 nan 0.000 0.453 459 G N 0.094 109.120 108.800 0.378 0.000 2.343 459 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.298 459 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.298 459 G C -0.667 174.364 174.900 0.217 0.000 1.644 459 G CA -0.508 44.794 45.100 0.336 0.000 0.958 459 G HN -0.068 nan 8.290 nan 0.000 0.702 460 K N 0.642 121.087 120.400 0.076 0.000 2.113 460 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 460 K C 2.391 178.946 176.600 -0.076 0.000 1.047 460 K CA 2.535 58.827 56.287 0.008 0.000 0.928 460 K CB 0.053 32.544 32.500 -0.015 0.000 0.716 460 K HN 0.651 nan 8.250 nan 0.000 0.446 461 E N -0.666 119.408 120.200 -0.210 0.000 2.409 461 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 461 E C 0.993 177.301 176.600 -0.486 0.000 1.024 461 E CA 0.932 57.095 56.400 -0.395 0.000 0.861 461 E CB -0.263 29.097 29.700 -0.567 0.000 0.788 461 E HN 0.378 nan 8.360 nan 0.000 0.521 462 F N 1.428 121.384 119.950 0.011 0.000 2.721 462 F HA 0.241 4.768 4.527 -0.000 0.000 0.301 462 F C 1.084 176.869 175.800 -0.026 0.000 1.096 462 F CA -0.619 57.392 58.000 0.019 0.000 1.308 462 F CB 0.112 39.177 39.000 0.107 0.000 1.086 462 F HN -0.071 nan 8.300 nan 0.000 0.587 463 E N 1.598 121.855 120.200 0.094 0.000 2.452 463 E HA 0.147 4.497 4.350 -0.000 0.000 0.261 463 E C -0.862 175.696 176.600 -0.070 0.000 0.987 463 E CA 0.034 56.449 56.400 0.025 0.000 0.926 463 E CB 0.748 30.454 29.700 0.009 0.000 0.934 463 E HN -0.078 nan 8.360 nan 0.000 0.452 464 V N 7.628 127.495 119.914 -0.078 0.000 2.325 464 V HA 0.263 4.383 4.120 -0.000 0.000 0.280 464 V C -2.249 173.812 176.094 -0.055 0.000 1.016 464 V CA -1.852 60.374 62.300 -0.123 0.000 0.818 464 V CB 1.121 32.887 31.823 -0.096 0.000 1.019 464 V HN 0.741 nan 8.190 nan 0.000 0.434 465 P HA 0.146 nan 4.420 nan 0.000 0.268 465 P C -0.519 176.904 177.300 0.204 0.000 1.205 465 P CA -0.227 62.921 63.100 0.079 0.000 0.771 465 P CB 0.712 32.496 31.700 0.141 0.000 0.858 466 L N 4.445 125.770 121.223 0.170 0.000 2.312 466 L HA 0.442 4.782 4.340 -0.000 0.000 0.281 466 L C -0.738 176.221 176.870 0.148 0.000 1.070 466 L CA -0.044 54.901 54.840 0.173 0.000 0.805 466 L CB 0.322 42.459 42.059 0.131 0.000 1.174 466 L HN 0.249 nan 8.230 nan 0.000 0.434 467 I N 5.223 125.869 120.570 0.127 0.000 2.359 467 I HA 0.358 4.528 4.170 -0.000 0.000 0.284 467 I C 0.041 176.163 176.117 0.008 0.000 1.018 467 I CA -0.628 60.712 61.300 0.066 0.000 1.173 467 I CB 1.011 39.049 38.000 0.062 0.000 1.326 467 I HN 0.575 nan 8.210 nan 0.000 0.462 468 R N 6.921 127.421 120.500 0.000 0.000 2.435 468 R HA 0.369 4.709 4.340 -0.000 0.000 0.325 468 R C -0.895 175.416 176.300 0.018 0.000 1.149 468 R CA 0.611 56.699 56.100 -0.021 0.000 0.995 468 R CB -0.123 30.164 30.300 -0.021 0.000 1.008 468 R HN 0.529 nan 8.270 nan 0.000 0.470 469 I N 2.402 122.978 120.570 0.010 0.000 2.586 469 I HA 0.504 4.674 4.170 -0.000 0.000 0.288 469 I C 0.426 176.557 176.117 0.023 0.000 1.147 469 I CA -0.594 60.786 61.300 0.135 0.000 1.047 469 I CB 2.144 40.267 38.000 0.206 0.000 1.244 469 I HN 0.797 nan 8.210 nan 0.000 0.429 470 G N 5.128 113.908 108.800 -0.033 0.000 2.270 470 G HA2 0.122 4.082 3.960 -0.000 0.000 0.268 470 G HA3 0.122 4.082 3.960 -0.000 0.000 0.268 470 G C -2.105 172.639 174.900 -0.260 0.000 1.312 470 G CA -0.726 44.131 45.100 -0.405 0.000 1.050 470 G HN 0.517 nan 8.290 nan 0.000 0.474 471 F N 2.445 122.138 119.950 -0.427 0.000 2.569 471 F HA 0.788 5.315 4.527 -0.000 0.000 0.312 471 F C -2.339 173.227 175.800 -0.391 0.000 1.109 471 F CA -1.825 55.880 58.000 -0.491 0.000 0.919 471 F CB 2.728 41.459 39.000 -0.448 0.000 1.211 471 F HN 0.511 nan 8.300 nan 0.000 0.446 472 P HA 0.501 nan 4.420 nan 0.000 0.287 472 P C -1.170 175.469 177.300 -1.101 0.000 1.279 472 P CA -0.423 61.614 63.100 -1.771 0.000 0.867 472 P CB 2.598 32.763 31.700 -2.559 0.000 1.127 473 I N 1.990 122.187 120.570 -0.623 0.000 2.420 473 I HA 0.219 4.389 4.170 -0.000 0.000 0.282 473 I C 0.177 176.056 176.117 -0.397 0.000 1.019 473 I CA -0.436 60.589 61.300 -0.458 0.000 1.130 473 I CB 0.862 38.738 38.000 -0.207 0.000 1.262 473 I HN 0.164 nan 8.210 nan 0.000 0.454 474 F N 2.422 122.232 119.950 -0.233 0.000 2.717 474 F HA 0.048 4.575 4.527 -0.000 0.000 0.297 474 F C 1.784 177.516 175.800 -0.113 0.000 1.113 474 F CA -0.226 57.658 58.000 -0.194 0.000 1.319 474 F CB -0.083 38.790 39.000 -0.212 0.000 1.097 474 F HN 0.482 nan 8.300 nan 0.000 0.595 475 D N -0.960 119.473 120.400 0.055 0.000 2.363 475 D HA 0.096 4.736 4.640 -0.000 0.000 0.214 475 D C 0.568 176.897 176.300 0.047 0.000 1.093 475 D CA 0.227 54.253 54.000 0.044 0.000 0.837 475 D CB 0.272 41.062 40.800 -0.017 0.000 0.948 475 D HN -0.063 nan 8.370 nan 0.000 0.507 476 R N -0.125 120.413 120.500 0.063 0.000 2.837 476 R HA 0.411 4.751 4.340 -0.000 0.000 0.271 476 R C -0.696 175.700 176.300 0.159 0.000 0.993 476 R CA -0.599 55.546 56.100 0.075 0.000 0.931 476 R CB 1.190 31.501 30.300 0.019 0.000 1.206 476 R HN 0.231 nan 8.270 nan 0.000 0.474 477 H N 0.782 119.774 119.070 -0.130 0.000 2.459 477 H HA 0.224 4.780 4.556 -0.000 0.000 0.332 477 H C -0.258 174.919 175.328 -0.251 0.000 1.094 477 H CA -0.381 55.484 56.048 -0.304 0.000 1.224 477 H CB 0.980 30.479 29.762 -0.438 0.000 1.449 477 H HN 0.748 nan 8.280 nan 0.000 0.484 478 H N 1.091 120.265 119.070 0.172 0.000 2.899 478 H HA -0.166 4.390 4.556 -0.000 0.000 0.282 478 H C 0.823 176.153 175.328 0.003 0.000 1.198 478 H CA 0.267 56.381 56.048 0.110 0.000 1.140 478 H CB -1.255 28.542 29.762 0.059 0.000 1.317 478 H HN 0.596 nan 8.280 nan 0.000 0.375 479 L N 0.773 122.073 121.223 0.129 0.000 2.395 479 L HA -0.079 4.261 4.340 -0.000 0.000 0.218 479 L C 2.673 179.652 176.870 0.182 0.000 1.130 479 L CA 1.084 55.997 54.840 0.122 0.000 0.826 479 L CB -0.408 41.715 42.059 0.107 0.000 0.941 479 L HN 0.633 nan 8.230 nan 0.000 0.451 480 H N 0.031 119.104 119.070 0.005 0.000 2.561 480 H HA -0.043 4.513 4.556 -0.000 0.000 0.278 480 H C 1.532 177.016 175.328 0.260 0.000 1.014 480 H CA 0.366 56.423 56.048 0.016 0.000 1.211 480 H CB -0.246 29.378 29.762 -0.229 0.000 1.365 480 H HN 0.368 nan 8.280 nan 0.000 0.594 481 R N 0.820 121.175 120.500 -0.241 0.000 2.297 481 R HA 0.130 4.470 4.340 -0.000 0.000 0.197 481 R C 0.688 177.006 176.300 0.029 0.000 0.943 481 R CA 0.066 56.086 56.100 -0.132 0.000 1.038 481 R CB 0.412 30.594 30.300 -0.197 0.000 0.957 481 R HN 0.122 nan 8.270 nan 0.000 0.484 482 S N 0.383 116.143 115.700 0.099 0.000 2.650 482 S HA 0.117 4.587 4.470 -0.000 0.000 0.251 482 S C 0.410 174.945 174.600 -0.108 0.000 1.325 482 S CA 0.087 58.273 58.200 -0.024 0.000 0.967 482 S CB 0.801 63.936 63.200 -0.107 0.000 1.000 482 S HN 0.063 nan 8.310 nan 0.000 0.584 483 T N 0.514 114.921 114.554 -0.245 0.000 2.952 483 T HA 0.525 4.875 4.350 -0.000 0.000 0.305 483 T C 0.462 174.965 174.700 -0.328 0.000 1.064 483 T CA -0.654 61.301 62.100 -0.241 0.000 1.008 483 T CB 1.736 70.520 68.868 -0.139 0.000 1.078 483 T HN 0.715 nan 8.240 nan 0.000 0.459 484 T N -0.394 113.972 114.554 -0.314 0.000 3.016 484 T HA 0.405 4.755 4.350 -0.000 0.000 0.271 484 T C 0.425 174.996 174.700 -0.216 0.000 0.968 484 T CA -0.202 61.747 62.100 -0.252 0.000 0.891 484 T CB 0.034 68.805 68.868 -0.161 0.000 1.149 484 T HN 0.359 nan 8.240 nan 0.000 0.524 485 L N 1.806 122.899 121.223 -0.217 0.000 2.360 485 L HA 0.662 5.002 4.340 -0.000 0.000 0.271 485 L C 1.230 177.928 176.870 -0.287 0.000 1.057 485 L CA -0.010 54.679 54.840 -0.252 0.000 0.803 485 L CB 0.838 42.735 42.059 -0.269 0.000 1.207 485 L HN 0.586 nan 8.230 nan 0.000 0.445 486 G N 0.492 109.077 108.800 -0.358 0.000 2.796 486 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.226 486 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.226 486 G C -0.067 174.617 174.900 -0.359 0.000 1.381 486 G CA 0.215 45.058 45.100 -0.428 0.000 0.867 486 G HN 0.562 nan 8.290 nan 0.000 0.552 487 Y N 0.154 120.371 120.300 -0.138 0.000 2.224 487 Y HA -0.015 4.535 4.550 -0.000 0.000 0.289 487 Y C 2.819 178.640 175.900 -0.133 0.000 1.146 487 Y CA 1.980 60.002 58.100 -0.130 0.000 1.182 487 Y CB -0.485 37.933 38.460 -0.070 0.000 0.983 487 Y HN 0.806 nan 8.280 nan 0.000 0.524 488 E N -0.042 120.169 120.200 0.019 0.000 2.038 488 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 488 E C 2.597 179.144 176.600 -0.088 0.000 1.000 488 E CA 1.322 57.707 56.400 -0.026 0.000 0.803 488 E CB -0.591 29.085 29.700 -0.039 0.000 0.750 488 E HN 0.467 nan 8.360 nan 0.000 0.448 489 G N 0.569 109.278 108.800 -0.152 0.000 2.440 489 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 489 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 489 G C 1.663 176.421 174.900 -0.236 0.000 1.154 489 G CA 1.045 46.023 45.100 -0.202 0.000 0.767 489 G HN 0.438 nan 8.290 nan 0.000 0.552 490 A N 0.588 123.217 122.820 -0.317 0.000 1.933 490 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 490 A C 2.459 179.976 177.584 -0.111 0.000 1.175 490 A CA 1.754 53.488 52.037 -0.505 0.000 0.628 490 A CB -0.330 18.298 19.000 -0.620 0.000 0.814 490 A HN 0.401 nan 8.150 nan 0.000 0.444 491 M N -1.179 118.393 119.600 -0.046 0.000 2.175 491 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 491 M C 2.404 178.708 176.300 0.006 0.000 1.063 491 M CA 1.439 56.750 55.300 0.017 0.000 1.119 491 M CB -0.445 32.160 32.600 0.009 0.000 1.377 491 M HN 0.500 nan 8.290 nan 0.000 0.415 492 Q N 0.433 120.211 119.800 -0.036 0.000 2.083 492 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 492 Q C 2.061 178.045 176.000 -0.027 0.000 0.969 492 Q CA 1.189 56.966 55.803 -0.044 0.000 0.838 492 Q CB -0.044 28.643 28.738 -0.085 0.000 0.900 492 Q HN 0.536 nan 8.270 nan 0.000 0.436 493 I N 0.735 121.295 120.570 -0.016 0.000 2.226 493 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 493 I C 2.392 178.552 176.117 0.072 0.000 1.100 493 I CA 0.933 62.253 61.300 0.033 0.000 1.374 493 I CB -0.233 37.822 38.000 0.092 0.000 1.057 493 I HN 0.251 nan 8.210 nan 0.000 0.413 494 L N 0.275 121.593 121.223 0.158 0.000 2.046 494 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 494 L C 2.587 179.465 176.870 0.013 0.000 1.077 494 L CA 1.752 56.645 54.840 0.089 0.000 0.747 494 L CB -0.357 41.795 42.059 0.155 0.000 0.896 494 L HN 0.237 nan 8.230 nan 0.000 0.432 495 T N -1.045 113.516 114.554 0.012 0.000 2.746 495 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 495 T C 1.716 176.394 174.700 -0.037 0.000 1.039 495 T CA 1.870 63.962 62.100 -0.013 0.000 1.142 495 T CB -0.339 68.522 68.868 -0.012 0.000 0.866 495 T HN 0.449 nan 8.240 nan 0.000 0.444 496 T N 2.528 117.059 114.554 -0.038 0.000 2.737 496 T HA 0.064 4.414 4.350 -0.000 0.000 0.265 496 T C 2.006 176.652 174.700 -0.089 0.000 1.038 496 T CA 0.828 62.895 62.100 -0.055 0.000 1.144 496 T CB -0.430 68.412 68.868 -0.044 0.000 0.866 496 T HN 0.245 nan 8.240 nan 0.000 0.434 497 L N 0.813 121.979 121.223 -0.095 0.000 1.994 497 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 497 L C 2.732 179.518 176.870 -0.140 0.000 1.071 497 L CA 1.131 55.892 54.840 -0.131 0.000 0.745 497 L CB -0.929 41.044 42.059 -0.143 0.000 0.892 497 L HN 0.151 nan 8.230 nan 0.000 0.431 498 V N 0.177 120.039 119.914 -0.087 0.000 2.287 498 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 498 V C 1.934 177.945 176.094 -0.139 0.000 1.053 498 V CA 2.344 64.600 62.300 -0.075 0.000 1.027 498 V CB -0.938 30.870 31.823 -0.025 0.000 0.646 498 V HN 0.511 nan 8.190 nan 0.000 0.447 499 N N -0.180 118.446 118.700 -0.124 0.000 2.309 499 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 499 N C 1.975 177.403 175.510 -0.137 0.000 1.018 499 N CA 1.088 54.058 53.050 -0.132 0.000 0.876 499 N CB -0.105 38.326 38.487 -0.093 0.000 0.972 499 N HN 0.352 nan 8.380 nan 0.000 0.434 500 S N 0.895 116.495 115.700 -0.167 0.000 2.355 500 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 500 S C 1.926 176.412 174.600 -0.190 0.000 1.031 500 S CA 0.647 58.737 58.200 -0.184 0.000 0.993 500 S CB -0.085 62.930 63.200 -0.309 0.000 0.859 500 S HN 0.244 nan 8.310 nan 0.000 0.453 501 I N 1.468 121.856 120.570 -0.304 0.000 2.163 501 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 501 I C 2.043 178.110 176.117 -0.083 0.000 1.085 501 I CA 1.218 62.454 61.300 -0.107 0.000 1.347 501 I CB -0.358 37.593 38.000 -0.082 0.000 1.044 501 I HN 0.241 nan 8.210 nan 0.000 0.408 502 L N 0.096 121.180 121.223 -0.232 0.000 2.093 502 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 502 L C 2.467 179.226 176.870 -0.184 0.000 1.085 502 L CA 1.305 55.945 54.840 -0.333 0.000 0.755 502 L CB -0.573 41.238 42.059 -0.414 0.000 0.904 502 L HN 0.274 nan 8.230 nan 0.000 0.435 503 E N -0.166 119.972 120.200 -0.103 0.000 2.038 503 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 503 E C 2.262 178.863 176.600 0.002 0.000 1.000 503 E CA 1.130 57.505 56.400 -0.043 0.000 0.803 503 E CB -0.058 29.634 29.700 -0.013 0.000 0.750 503 E HN 0.146 nan 8.360 nan 0.000 0.448 504 R N 1.122 121.663 120.500 0.068 0.000 2.105 504 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 504 R C 2.133 178.447 176.300 0.023 0.000 1.135 504 R CA 1.040 57.190 56.100 0.083 0.000 0.967 504 R CB -0.735 29.681 30.300 0.192 0.000 0.861 504 R HN 0.226 nan 8.270 nan 0.000 0.442 505 L N 0.005 121.224 121.223 -0.008 0.000 2.046 505 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 505 L C 1.312 178.164 176.870 -0.030 0.000 1.077 505 L CA 1.871 56.686 54.840 -0.042 0.000 0.747 505 L CB -0.427 41.551 42.059 -0.136 0.000 0.896 505 L HN 0.226 nan 8.230 nan 0.000 0.432 506 D N -0.341 120.033 120.400 -0.042 0.000 2.144 506 D HA -0.239 4.401 4.640 -0.000 0.000 0.199 506 D C 1.983 178.349 176.300 0.111 0.000 0.984 506 D CA 1.106 55.131 54.000 0.042 0.000 0.834 506 D CB 0.115 40.907 40.800 -0.014 0.000 0.955 506 D HN 0.418 nan 8.370 nan 0.000 0.465 507 E N 0.675 120.898 120.200 0.038 0.000 2.072 507 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 507 E C 1.548 178.141 176.600 -0.013 0.000 0.985 507 E CA 0.823 57.232 56.400 0.015 0.000 0.801 507 E CB 0.132 29.837 29.700 0.007 0.000 0.750 507 E HN 0.310 nan 8.360 nan 0.000 0.452 508 E N -0.468 119.722 120.200 -0.017 0.000 2.274 508 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 508 E C 1.394 177.957 176.600 -0.062 0.000 0.996 508 E CA 1.396 57.772 56.400 -0.041 0.000 0.840 508 E CB 0.170 29.844 29.700 -0.042 0.000 0.772 508 E HN 0.314 nan 8.360 nan 0.000 0.491 509 T N -2.167 112.363 114.554 -0.040 0.000 3.176 509 T HA 0.226 4.576 4.350 -0.000 0.000 0.263 509 T C 1.254 175.844 174.700 -0.183 0.000 1.021 509 T CA -0.467 61.581 62.100 -0.087 0.000 0.905 509 T CB 0.326 69.172 68.868 -0.036 0.000 1.057 509 T HN -0.068 nan 8.240 nan 0.000 0.558 510 R N 1.088 121.447 120.500 -0.235 0.000 2.275 510 R HA 0.235 4.575 4.340 -0.000 0.000 0.199 510 R C 1.238 177.359 176.300 -0.298 0.000 0.989 510 R CA 0.105 55.928 56.100 -0.462 0.000 1.016 510 R CB -0.420 29.726 30.300 -0.256 0.000 0.918 510 R HN 0.473 nan 8.270 nan 0.000 0.473 511 G N 1.300 109.990 108.800 -0.183 0.000 2.299 511 G HA2 0.050 4.010 3.960 -0.000 0.000 0.256 511 G HA3 0.050 4.010 3.960 -0.000 0.000 0.256 511 G C -0.417 174.422 174.900 -0.103 0.000 1.259 511 G CA -0.368 44.663 45.100 -0.115 0.000 0.943 511 G HN 0.209 nan 8.290 nan 0.000 0.479 512 M N 2.199 121.752 119.600 -0.078 0.000 2.219 512 M HA 0.125 4.605 4.480 -0.000 0.000 0.353 512 M C 1.060 177.353 176.300 -0.011 0.000 1.304 512 M CA 0.415 55.686 55.300 -0.049 0.000 1.115 512 M CB 0.436 33.013 32.600 -0.039 0.000 1.664 512 M HN 0.830 nan 8.290 nan 0.000 0.459 513 Q N 2.111 121.920 119.800 0.015 0.000 2.475 513 Q HA -0.301 4.039 4.340 -0.000 0.000 0.280 513 Q C -0.762 175.272 176.000 0.056 0.000 1.234 513 Q CA 0.859 56.688 55.803 0.043 0.000 0.873 513 Q CB -0.882 27.872 28.738 0.027 0.000 1.256 513 Q HN 0.920 nan 8.270 nan 0.000 0.475 514 A N -1.817 121.041 122.820 0.062 0.000 1.748 514 A HA 0.204 4.524 4.320 -0.000 0.000 0.171 514 A C 1.212 178.863 177.584 0.111 0.000 1.736 514 A CA 0.750 52.831 52.037 0.072 0.000 1.179 514 A CB 0.013 19.024 19.000 0.020 0.000 0.961 514 A HN 0.706 nan 8.150 nan 0.000 0.653 515 T N -1.447 113.088 114.554 -0.032 0.000 3.003 515 T HA 0.079 4.429 4.350 -0.000 0.000 0.261 515 T C 0.888 175.334 174.700 -0.423 0.000 1.003 515 T CA 0.933 62.888 62.100 -0.241 0.000 0.917 515 T CB 0.005 68.763 68.868 -0.182 0.000 1.084 515 T HN 0.443 nan 8.240 nan 0.000 0.522 516 D N 1.942 122.222 120.400 -0.200 0.000 2.403 516 D HA -0.183 4.457 4.640 -0.000 0.000 0.227 516 D C 1.642 177.904 176.300 -0.063 0.000 0.995 516 D CA 0.493 54.405 54.000 -0.146 0.000 0.928 516 D CB -0.651 40.078 40.800 -0.118 0.000 0.887 516 D HN 0.689 nan 8.370 nan 0.000 0.529 517 Y N 0.839 121.165 120.300 0.044 0.000 2.333 517 Y HA -0.049 4.501 4.550 -0.000 0.000 0.290 517 Y C 1.447 177.387 175.900 0.066 0.000 1.144 517 Y CA 1.111 59.239 58.100 0.047 0.000 1.228 517 Y CB -1.196 37.283 38.460 0.031 0.000 0.985 517 Y HN -0.037 nan 8.280 nan 0.000 0.542 518 N N -0.330 118.178 118.700 -0.320 0.000 2.279 518 N HA -0.045 4.695 4.740 -0.000 0.000 0.226 518 N C -0.446 175.050 175.510 -0.023 0.000 1.126 518 N CA -0.203 52.783 53.050 -0.107 0.000 0.846 518 N CB -0.601 37.756 38.487 -0.216 0.000 1.050 518 N HN 0.400 nan 8.380 nan 0.000 0.502 519 H N 0.250 119.257 119.070 -0.104 0.000 2.638 519 H HA 0.222 4.778 4.556 -0.000 0.000 0.232 519 H C -0.749 174.561 175.328 -0.030 0.000 1.756 519 H CA -0.638 55.366 56.048 -0.074 0.000 1.234 519 H CB -0.742 28.975 29.762 -0.074 0.000 1.616 519 H HN 0.157 nan 8.280 nan 0.000 0.510 520 D N 1.330 121.683 120.400 -0.078 0.000 2.443 520 D HA -0.100 4.540 4.640 -0.000 0.000 0.239 520 D C 1.484 177.707 176.300 -0.129 0.000 1.136 520 D CA -0.121 53.846 54.000 -0.056 0.000 0.879 520 D CB 1.192 41.996 40.800 0.008 0.000 1.195 520 D HN 0.394 nan 8.370 nan 0.000 0.443 521 L N 2.699 123.878 121.223 -0.073 0.000 2.109 521 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 521 L C 0.219 177.052 176.870 -0.062 0.000 1.086 521 L CA 1.225 56.019 54.840 -0.077 0.000 0.760 521 L CB 0.381 42.419 42.059 -0.034 0.000 0.910 521 L HN 0.189 nan 8.230 nan 0.000 0.437 522 V N 2.850 122.749 119.914 -0.025 0.000 2.350 522 V HA 0.482 4.602 4.120 -0.000 0.000 0.276 522 V C 0.094 176.208 176.094 0.034 0.000 1.028 522 V CA -0.746 61.554 62.300 0.001 0.000 0.860 522 V CB 0.901 32.736 31.823 0.021 0.000 0.990 522 V HN 0.208 nan 8.190 nan 0.000 0.453 523 R N 0.000 120.516 120.500 0.026 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.165 56.100 0.109 0.000 0.921 523 R CB 0.000 30.191 30.300 -0.182 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535