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 2csg_1_A DATA FIRST_RESID 3 DATA SEQUENCE TPFTHETLPA DPKAAIRQMK QALRAQIGDV QAVFDRLSAT IAARVAEIND DATA SEQUENCE LKAQGQPVWP IIPFSELAMG NISDATRAEV KRRGCAVIKG HFPREQALAW DATA SEQUENCE DQSMLDYLDK NHFDEVYKGP GDNFFGTLSA SRPEIYPVYW SQAQMQARQS DATA SEQUENCE EEMALAQSFL NRLWQVEHDG KRWFNPDISI IYPDRIRRRP PGTTSKGLGA DATA SEQUENCE HTDSGALERW LLPAYQQVFA SVFNGNVEQY DPWNAAHRTD VEEYTVDNTT DATA SEQUENCE KCSVFRTFQG WTALSDMLPG QGLLHVVPIP EAMAYILLRP LLDDVPEDEL DATA SEQUENCE CGVAPGRVLP ISEQWHPLLM AALTSIPPLE AGDSVWWHCD VIHSVAPVEN DATA SEQUENCE QQGWGNVMYI PAAPMCEKNL AYARKVKAAL ETGASPGDFP REDYETTWEG DATA SEQUENCE RFTLRDLNIH GKRALGI 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.667 174.700 -0.055 0.000 1.109 3 T CA 0.000 62.085 62.100 -0.024 0.000 1.349 3 T CB 0.000 68.943 68.868 0.125 0.000 0.612 4 P HA -0.024 nan 4.420 nan 0.000 0.226 4 P C 1.098 178.408 177.300 0.018 0.000 1.146 4 P CA 0.885 63.987 63.100 0.004 0.000 0.773 4 P CB -0.207 31.518 31.700 0.041 0.000 0.772 5 F N 0.629 120.547 119.950 -0.054 0.000 2.698 5 F HA 0.158 4.685 4.527 -0.000 0.000 0.295 5 F C 0.812 176.611 175.800 -0.002 0.000 1.124 5 F CA -0.063 57.922 58.000 -0.025 0.000 1.426 5 F CB -1.156 37.841 39.000 -0.006 0.000 1.120 5 F HN -0.219 nan 8.300 nan 0.000 0.583 6 T N -0.460 113.794 114.554 -0.500 0.000 2.874 6 T HA 0.360 4.710 4.350 -0.000 0.000 0.281 6 T C -0.701 173.851 174.700 -0.247 0.000 0.994 6 T CA -0.442 61.433 62.100 -0.375 0.000 1.015 6 T CB 0.970 69.578 68.868 -0.433 0.000 1.028 6 T HN 0.394 nan 8.240 nan 0.000 0.523 7 H N 0.336 119.402 119.070 -0.006 0.000 2.771 7 H HA 0.291 4.847 4.556 -0.000 0.000 0.361 7 H C 0.245 175.653 175.328 0.133 0.000 1.108 7 H CA -0.639 55.439 56.048 0.050 0.000 1.201 7 H CB 2.262 32.053 29.762 0.049 0.000 1.681 7 H HN 0.827 nan 8.280 nan 0.000 0.534 8 E N 1.151 121.471 120.200 0.200 0.000 2.364 8 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 8 E C 0.783 177.554 176.600 0.285 0.000 0.990 8 E CA 0.366 56.883 56.400 0.195 0.000 0.886 8 E CB 0.897 30.647 29.700 0.084 0.000 0.866 8 E HN 0.562 nan 8.360 nan 0.000 0.493 9 T N -1.105 113.578 114.554 0.214 0.000 2.940 9 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 9 T C -0.320 174.240 174.700 -0.232 0.000 1.045 9 T CA -0.955 61.206 62.100 0.100 0.000 1.018 9 T CB 1.694 70.593 68.868 0.050 0.000 1.151 9 T HN -0.021 nan 8.240 nan 0.000 0.529 10 L N 3.504 124.415 121.223 -0.520 0.000 2.500 10 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 10 L C -2.004 174.610 176.870 -0.427 0.000 1.149 10 L CA -1.210 53.125 54.840 -0.841 0.000 0.897 10 L CB -0.188 41.535 42.059 -0.559 0.000 1.178 10 L HN 0.514 nan 8.230 nan 0.000 0.473 11 P HA -0.012 nan 4.420 nan 0.000 0.265 11 P C 0.073 177.239 177.300 -0.224 0.000 1.187 11 P CA 0.170 63.033 63.100 -0.395 0.000 0.766 11 P CB 0.853 32.116 31.700 -0.728 0.000 0.820 12 A N 2.206 124.955 122.820 -0.118 0.000 2.067 12 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 12 A C 0.946 178.484 177.584 -0.077 0.000 1.158 12 A CA 1.318 53.309 52.037 -0.077 0.000 0.661 12 A CB -0.417 18.563 19.000 -0.035 0.000 0.801 12 A HN 0.547 nan 8.150 nan 0.000 0.452 13 D N -1.873 118.473 120.400 -0.090 0.000 2.375 13 D HA 0.364 5.004 4.640 -0.000 0.000 0.259 13 D C -2.233 173.996 176.300 -0.118 0.000 1.235 13 D CA -1.966 51.986 54.000 -0.080 0.000 0.924 13 D CB 1.366 42.139 40.800 -0.045 0.000 1.143 13 D HN -0.061 nan 8.370 nan 0.000 0.529 14 P HA -0.121 nan 4.420 nan 0.000 0.214 14 P C 1.151 178.384 177.300 -0.112 0.000 1.163 14 P CA 1.269 64.285 63.100 -0.139 0.000 0.883 14 P CB 0.473 32.105 31.700 -0.113 0.000 0.788 15 K N -0.385 119.960 120.400 -0.091 0.000 2.063 15 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 15 K C 2.196 178.753 176.600 -0.072 0.000 1.048 15 K CA 1.617 57.853 56.287 -0.085 0.000 0.928 15 K CB -0.786 31.671 32.500 -0.072 0.000 0.713 15 K HN 0.038 nan 8.250 nan 0.000 0.442 16 A N 1.548 124.334 122.820 -0.055 0.000 1.883 16 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 16 A C 2.394 179.971 177.584 -0.011 0.000 1.186 16 A CA 2.006 54.025 52.037 -0.030 0.000 0.624 16 A CB -0.775 18.217 19.000 -0.014 0.000 0.822 16 A HN 0.354 nan 8.150 nan 0.000 0.444 17 A N -0.346 122.459 122.820 -0.025 0.000 1.930 17 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 17 A C 2.126 179.727 177.584 0.028 0.000 1.175 17 A CA 1.417 53.472 52.037 0.029 0.000 0.627 17 A CB -0.564 18.339 19.000 -0.162 0.000 0.815 17 A HN 0.490 nan 8.150 nan 0.000 0.443 18 I N -0.761 119.777 120.570 -0.053 0.000 2.142 18 I HA -0.290 3.879 4.170 -0.000 0.000 0.240 18 I C 2.767 178.817 176.117 -0.111 0.000 1.078 18 I CA 1.421 62.658 61.300 -0.104 0.000 1.343 18 I CB -0.362 37.533 38.000 -0.174 0.000 1.046 18 I HN 0.290 nan 8.210 nan 0.000 0.405 19 R N 0.460 120.903 120.500 -0.095 0.000 2.112 19 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 19 R C 2.311 178.559 176.300 -0.086 0.000 1.137 19 R CA 1.921 57.965 56.100 -0.093 0.000 0.944 19 R CB -0.522 29.737 30.300 -0.069 0.000 0.857 19 R HN 0.533 nan 8.270 nan 0.000 0.435 20 Q N -0.159 119.616 119.800 -0.041 0.000 2.119 20 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 20 Q C 2.223 178.150 176.000 -0.122 0.000 0.972 20 Q CA 1.052 56.836 55.803 -0.033 0.000 0.847 20 Q CB -0.154 28.615 28.738 0.052 0.000 0.903 20 Q HN 0.342 nan 8.270 nan 0.000 0.433 21 M N 1.470 121.009 119.600 -0.102 0.000 2.086 21 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 21 M C 1.596 177.608 176.300 -0.480 0.000 1.067 21 M CA 1.781 56.857 55.300 -0.374 0.000 1.116 21 M CB -0.262 32.367 32.600 0.048 0.000 1.348 21 M HN 0.023 nan 8.290 nan 0.000 0.407 22 K N 0.093 120.332 120.400 -0.269 0.000 1.991 22 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 22 K C 2.058 178.525 176.600 -0.221 0.000 1.049 22 K CA 2.256 58.407 56.287 -0.228 0.000 0.932 22 K CB -0.381 32.006 32.500 -0.189 0.000 0.717 22 K HN 0.535 nan 8.250 nan 0.000 0.441 23 Q N 0.051 119.737 119.800 -0.188 0.000 2.029 23 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 23 Q C 2.179 178.068 176.000 -0.184 0.000 0.999 23 Q CA 2.035 57.748 55.803 -0.151 0.000 0.857 23 Q CB -0.362 28.309 28.738 -0.111 0.000 0.926 23 Q HN 0.402 nan 8.270 nan 0.000 0.415 24 A N 0.141 122.792 122.820 -0.283 0.000 1.948 24 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 24 A C 1.948 179.346 177.584 -0.309 0.000 1.177 24 A CA 1.361 53.203 52.037 -0.324 0.000 0.636 24 A CB -0.390 18.281 19.000 -0.548 0.000 0.815 24 A HN 0.260 nan 8.150 nan 0.000 0.449 25 L N -0.909 120.092 121.223 -0.370 0.000 2.168 25 L HA 0.081 4.421 4.340 -0.000 0.000 0.203 25 L C 2.482 179.304 176.870 -0.080 0.000 1.078 25 L CA 1.351 56.060 54.840 -0.219 0.000 0.780 25 L CB -0.742 41.178 42.059 -0.231 0.000 0.939 25 L HN 0.309 nan 8.230 nan 0.000 0.451 26 R N -0.694 119.752 120.500 -0.090 0.000 2.117 26 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 26 R C 2.134 178.413 176.300 -0.034 0.000 1.143 26 R CA 1.381 57.451 56.100 -0.050 0.000 0.968 26 R CB -0.519 29.741 30.300 -0.065 0.000 0.863 26 R HN 0.391 nan 8.270 nan 0.000 0.444 27 A N 0.703 123.493 122.820 -0.050 0.000 1.897 27 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 27 A C 2.026 179.607 177.584 -0.005 0.000 1.181 27 A CA 1.069 53.088 52.037 -0.029 0.000 0.620 27 A CB -0.392 18.585 19.000 -0.039 0.000 0.821 27 A HN 0.338 nan 8.150 nan 0.000 0.443 28 Q N -0.715 119.084 119.800 -0.002 0.000 2.369 28 Q HA 0.016 4.356 4.340 -0.000 0.000 0.206 28 Q C 1.489 177.523 176.000 0.056 0.000 0.963 28 Q CA 0.956 56.782 55.803 0.037 0.000 0.894 28 Q CB -0.102 28.670 28.738 0.057 0.000 0.965 28 Q HN 0.752 nan 8.270 nan 0.000 0.475 29 I N -1.403 119.197 120.570 0.049 0.000 3.339 29 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 29 I C 1.363 177.505 176.117 0.043 0.000 1.201 29 I CA 0.546 61.883 61.300 0.061 0.000 1.434 29 I CB 0.458 38.503 38.000 0.075 0.000 1.152 29 I HN 0.391 nan 8.210 nan 0.000 0.443 30 G N 1.433 110.250 108.800 0.027 0.000 2.669 30 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.250 30 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.250 30 G C -0.264 174.647 174.900 0.018 0.000 1.247 30 G CA 0.088 45.201 45.100 0.022 0.000 0.958 30 G HN 0.282 nan 8.290 nan 0.000 0.559 31 D N 1.606 122.020 120.400 0.024 0.000 2.453 31 D HA 0.486 5.126 4.640 -0.000 0.000 0.223 31 D C 1.891 178.210 176.300 0.033 0.000 1.183 31 D CA 0.519 54.533 54.000 0.023 0.000 0.933 31 D CB 0.764 41.578 40.800 0.024 0.000 1.038 31 D HN 0.435 nan 8.370 nan 0.000 0.513 32 V N 3.334 123.263 119.914 0.024 0.000 2.282 32 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 32 V C 2.412 178.541 176.094 0.058 0.000 1.057 32 V CA 1.733 64.052 62.300 0.033 0.000 1.032 32 V CB -0.817 31.004 31.823 -0.004 0.000 0.645 32 V HN 0.489 nan 8.190 nan 0.000 0.447 33 Q N 0.639 120.460 119.800 0.034 0.000 2.096 33 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 33 Q C 2.154 178.225 176.000 0.120 0.000 0.982 33 Q CA 2.270 58.113 55.803 0.066 0.000 0.850 33 Q CB -0.717 28.037 28.738 0.027 0.000 0.901 33 Q HN 0.630 nan 8.270 nan 0.000 0.422 34 A N -0.811 122.057 122.820 0.079 0.000 1.902 34 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 34 A C 2.253 179.883 177.584 0.077 0.000 1.181 34 A CA 1.657 53.737 52.037 0.070 0.000 0.623 34 A CB -0.766 18.263 19.000 0.047 0.000 0.818 34 A HN 0.274 nan 8.150 nan 0.000 0.443 35 V N -1.356 118.610 119.914 0.085 0.000 2.307 35 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 35 V C 2.251 178.404 176.094 0.099 0.000 1.045 35 V CA 1.999 64.346 62.300 0.079 0.000 1.024 35 V CB -1.017 30.851 31.823 0.075 0.000 0.651 35 V HN 0.623 nan 8.190 nan 0.000 0.449 36 F N 1.504 121.443 119.950 -0.020 0.000 2.091 36 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 36 F C 2.359 178.158 175.800 -0.002 0.000 1.103 36 F CA 2.232 60.209 58.000 -0.040 0.000 1.228 36 F CB -0.262 38.687 39.000 -0.085 0.000 0.984 36 F HN 0.231 nan 8.300 nan 0.000 0.477 37 D N -0.077 120.383 120.400 0.099 0.000 2.104 37 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 37 D C 2.239 178.517 176.300 -0.036 0.000 0.994 37 D CA 1.270 55.280 54.000 0.017 0.000 0.830 37 D CB -0.516 40.331 40.800 0.079 0.000 0.959 37 D HN 0.153 nan 8.370 nan 0.000 0.452 38 R N 1.250 121.746 120.500 -0.007 0.000 2.094 38 R HA -0.077 4.262 4.340 -0.000 0.000 0.239 38 R C 2.420 178.697 176.300 -0.038 0.000 1.137 38 R CA 0.948 57.042 56.100 -0.010 0.000 0.943 38 R CB -1.137 29.169 30.300 0.011 0.000 0.850 38 R HN 0.204 nan 8.270 nan 0.000 0.433 39 L N -0.055 121.130 121.223 -0.063 0.000 2.013 39 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 39 L C 1.976 178.783 176.870 -0.105 0.000 1.073 39 L CA 2.165 56.957 54.840 -0.079 0.000 0.753 39 L CB -0.409 41.587 42.059 -0.104 0.000 0.890 39 L HN 0.303 nan 8.230 nan 0.000 0.432 40 S N -0.280 115.304 115.700 -0.194 0.000 2.399 40 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 40 S C 2.007 176.564 174.600 -0.071 0.000 1.022 40 S CA 1.032 59.141 58.200 -0.152 0.000 0.983 40 S CB -0.225 62.831 63.200 -0.241 0.000 0.803 40 S HN 0.615 nan 8.310 nan 0.000 0.480 41 A N 1.374 124.161 122.820 -0.054 0.000 1.898 41 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 41 A C 2.327 179.897 177.584 -0.024 0.000 1.181 41 A CA 1.903 53.924 52.037 -0.027 0.000 0.620 41 A CB -1.280 17.711 19.000 -0.014 0.000 0.819 41 A HN 0.446 nan 8.150 nan 0.000 0.442 42 T N 0.394 114.932 114.554 -0.026 0.000 2.684 42 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 42 T C 1.801 176.484 174.700 -0.029 0.000 1.036 42 T CA 1.616 63.704 62.100 -0.021 0.000 1.148 42 T CB -0.395 68.465 68.868 -0.014 0.000 0.863 42 T HN 0.418 nan 8.240 nan 0.000 0.436 43 I N 1.143 121.687 120.570 -0.044 0.000 2.252 43 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 43 I C 2.917 179.000 176.117 -0.057 0.000 1.102 43 I CA 0.981 62.244 61.300 -0.061 0.000 1.385 43 I CB -0.500 37.443 38.000 -0.094 0.000 1.064 43 I HN 0.193 nan 8.210 nan 0.000 0.414 44 A N 0.914 123.707 122.820 -0.045 0.000 1.908 44 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 44 A C 2.541 180.112 177.584 -0.022 0.000 1.181 44 A CA 2.030 54.049 52.037 -0.030 0.000 0.627 44 A CB -0.828 18.162 19.000 -0.016 0.000 0.818 44 A HN 0.450 nan 8.150 nan 0.000 0.445 45 A N -0.757 122.052 122.820 -0.019 0.000 1.933 45 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 45 A C 2.178 179.753 177.584 -0.014 0.000 1.175 45 A CA 1.493 53.522 52.037 -0.013 0.000 0.628 45 A CB -0.402 18.592 19.000 -0.010 0.000 0.814 45 A HN 0.384 nan 8.150 nan 0.000 0.444 46 R N -0.447 120.040 120.500 -0.022 0.000 2.092 46 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 46 R C 2.059 178.346 176.300 -0.022 0.000 1.119 46 R CA 1.287 57.373 56.100 -0.023 0.000 0.970 46 R CB -1.307 28.972 30.300 -0.034 0.000 0.864 46 R HN 0.430 nan 8.270 nan 0.000 0.440 47 V N 1.309 121.207 119.914 -0.026 0.000 2.407 47 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 47 V C 2.504 178.594 176.094 -0.006 0.000 1.055 47 V CA 1.736 64.024 62.300 -0.020 0.000 1.049 47 V CB -0.812 30.996 31.823 -0.025 0.000 0.662 47 V HN 0.288 nan 8.190 nan 0.000 0.455 48 A N -0.451 122.366 122.820 -0.005 0.000 1.877 48 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 48 A C 2.163 179.749 177.584 0.004 0.000 1.186 48 A CA 1.987 54.025 52.037 0.001 0.000 0.620 48 A CB -0.524 18.477 19.000 0.001 0.000 0.822 48 A HN 0.589 nan 8.150 nan 0.000 0.443 49 E N -0.405 119.796 120.200 0.001 0.000 2.035 49 E HA -0.234 4.115 4.350 -0.000 0.000 0.204 49 E C 1.909 178.514 176.600 0.009 0.000 1.025 49 E CA 1.712 58.114 56.400 0.004 0.000 0.835 49 E CB -0.356 29.343 29.700 -0.000 0.000 0.764 49 E HN 0.668 nan 8.360 nan 0.000 0.457 50 I N 1.361 121.934 120.570 0.006 0.000 2.194 50 I HA -0.326 3.843 4.170 -0.000 0.000 0.246 50 I C 2.142 178.273 176.117 0.023 0.000 1.093 50 I CA 0.895 62.203 61.300 0.013 0.000 1.355 50 I CB -0.334 37.668 38.000 0.004 0.000 1.046 50 I HN 0.152 nan 8.210 nan 0.000 0.413 51 N N 0.503 119.214 118.700 0.019 0.000 2.084 51 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 51 N C 1.598 177.122 175.510 0.024 0.000 1.030 51 N CA 1.313 54.377 53.050 0.024 0.000 0.849 51 N CB -0.531 37.967 38.487 0.019 0.000 1.012 51 N HN 0.364 nan 8.380 nan 0.000 0.423 52 D N 0.745 121.157 120.400 0.020 0.000 2.106 52 D HA -0.149 4.491 4.640 -0.000 0.000 0.191 52 D C 2.045 178.359 176.300 0.024 0.000 0.997 52 D CA 0.907 54.918 54.000 0.019 0.000 0.834 52 D CB 0.031 40.840 40.800 0.015 0.000 0.956 52 D HN 0.069 nan 8.370 nan 0.000 0.448 53 L N 1.107 122.346 121.223 0.027 0.000 2.013 53 L HA -0.196 4.143 4.340 -0.000 0.000 0.212 53 L C 2.595 179.489 176.870 0.040 0.000 1.073 53 L CA 1.546 56.406 54.840 0.034 0.000 0.753 53 L CB -0.315 41.768 42.059 0.039 0.000 0.890 53 L HN -0.031 nan 8.230 nan 0.000 0.432 54 K N -0.748 119.678 120.400 0.043 0.000 2.032 54 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 54 K C 2.192 178.815 176.600 0.038 0.000 1.048 54 K CA 1.503 57.818 56.287 0.047 0.000 0.927 54 K CB -0.458 32.072 32.500 0.049 0.000 0.712 54 K HN 0.354 nan 8.250 nan 0.000 0.441 55 A N 1.353 124.192 122.820 0.032 0.000 1.908 55 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 55 A C 1.519 179.118 177.584 0.025 0.000 1.181 55 A CA 1.361 53.414 52.037 0.027 0.000 0.627 55 A CB -0.185 18.828 19.000 0.023 0.000 0.818 55 A HN 0.230 nan 8.150 nan 0.000 0.445 56 Q N -0.788 119.027 119.800 0.026 0.000 2.297 56 Q HA 0.292 4.632 4.340 -0.000 0.000 0.265 56 Q C 0.985 177.002 176.000 0.028 0.000 0.904 56 Q CA 0.469 56.287 55.803 0.024 0.000 0.969 56 Q CB -0.574 28.177 28.738 0.022 0.000 1.115 56 Q HN 0.899 nan 8.270 nan 0.000 0.433 57 G N 0.668 109.486 108.800 0.030 0.000 2.175 57 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 57 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 57 G C 0.280 175.203 174.900 0.037 0.000 0.979 57 G CA 0.231 45.350 45.100 0.031 0.000 0.663 57 G HN 0.337 nan 8.290 nan 0.000 0.533 58 Q N 0.604 120.430 119.800 0.043 0.000 2.417 58 Q HA 0.446 4.785 4.340 -0.000 0.000 0.241 58 Q C -1.865 174.177 176.000 0.071 0.000 1.008 58 Q CA -1.319 54.516 55.803 0.053 0.000 0.901 58 Q CB 0.564 29.333 28.738 0.053 0.000 1.259 58 Q HN 0.414 nan 8.270 nan 0.000 0.489 59 P HA 0.168 nan 4.420 nan 0.000 0.279 59 P C 0.166 177.566 177.300 0.165 0.000 1.252 59 P CA -0.338 62.841 63.100 0.131 0.000 0.811 59 P CB 1.046 32.824 31.700 0.130 0.000 1.035 60 V N -0.815 119.242 119.914 0.237 0.000 2.685 60 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 60 V C 0.535 176.741 176.094 0.186 0.000 1.054 60 V CA 0.384 62.785 62.300 0.169 0.000 1.076 60 V CB -0.870 31.027 31.823 0.123 0.000 0.725 60 V HN 0.506 nan 8.190 nan 0.000 0.467 61 W N 2.660 123.994 121.300 0.055 0.000 2.347 61 W HA 0.197 4.856 4.660 -0.000 0.000 0.333 61 W C -1.963 174.603 176.519 0.077 0.000 1.383 61 W CA -2.128 55.265 57.345 0.081 0.000 1.283 61 W CB -0.932 28.575 29.460 0.077 0.000 1.253 61 W HN 0.078 nan 8.180 nan 0.000 0.563 62 P HA -0.016 nan 4.420 nan 0.000 0.262 62 P C -0.188 177.248 177.300 0.226 0.000 1.199 62 P CA 0.478 63.696 63.100 0.197 0.000 0.763 62 P CB 0.528 32.325 31.700 0.161 0.000 0.790 63 I N 5.831 126.496 120.570 0.158 0.000 2.304 63 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 63 I C 0.963 177.122 176.117 0.071 0.000 1.018 63 I CA -0.567 60.807 61.300 0.124 0.000 1.260 63 I CB 0.797 38.852 38.000 0.092 0.000 1.390 63 I HN 0.341 nan 8.210 nan 0.000 0.475 64 I N 6.431 127.033 120.570 0.053 0.000 2.382 64 I HA 0.545 4.715 4.170 -0.000 0.000 0.285 64 I C -2.789 173.303 176.117 -0.041 0.000 1.007 64 I CA -2.266 59.017 61.300 -0.029 0.000 1.142 64 I CB 2.064 39.999 38.000 -0.108 0.000 1.289 64 I HN 0.165 nan 8.210 nan 0.000 0.453 65 P HA 0.117 nan 4.420 nan 0.000 0.271 65 P C 0.136 177.409 177.300 -0.046 0.000 1.216 65 P CA -0.065 63.026 63.100 -0.015 0.000 0.771 65 P CB 0.542 32.225 31.700 -0.028 0.000 0.864 66 F N 2.898 122.775 119.950 -0.123 0.000 2.216 66 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 66 F C 2.052 177.755 175.800 -0.160 0.000 1.085 66 F CA 1.897 59.790 58.000 -0.178 0.000 1.326 66 F CB -0.211 38.701 39.000 -0.147 0.000 1.027 66 F HN 0.281 nan 8.300 nan 0.000 0.497 67 S N 0.822 116.388 115.700 -0.224 0.000 2.369 67 S HA -0.318 4.151 4.470 -0.000 0.000 0.225 67 S C 1.803 176.200 174.600 -0.338 0.000 1.043 67 S CA 1.625 59.659 58.200 -0.278 0.000 1.074 67 S CB -1.107 62.023 63.200 -0.117 0.000 0.962 67 S HN 0.586 nan 8.310 nan 0.000 0.433 68 E N 1.798 121.844 120.200 -0.258 0.000 2.070 68 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 68 E C 2.171 178.561 176.600 -0.350 0.000 1.004 68 E CA 1.038 57.288 56.400 -0.250 0.000 0.805 68 E CB -0.730 28.851 29.700 -0.198 0.000 0.744 68 E HN 0.370 nan 8.360 nan 0.000 0.451 69 L N 1.318 122.255 121.223 -0.476 0.000 2.013 69 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 69 L C 2.425 178.961 176.870 -0.557 0.000 1.073 69 L CA 2.271 56.765 54.840 -0.577 0.000 0.753 69 L CB -1.342 40.333 42.059 -0.639 0.000 0.890 69 L HN 0.111 nan 8.230 nan 0.000 0.432 70 A N -0.886 121.450 122.820 -0.806 0.000 1.972 70 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 70 A C 2.058 179.430 177.584 -0.354 0.000 1.169 70 A CA 1.757 53.380 52.037 -0.689 0.000 0.635 70 A CB -0.358 18.105 19.000 -0.895 0.000 0.810 70 A HN 0.553 nan 8.150 nan 0.000 0.446 71 M N -1.095 118.321 119.600 -0.307 0.000 2.419 71 M HA 0.201 4.680 4.480 -0.000 0.000 0.252 71 M C 1.137 177.346 176.300 -0.152 0.000 1.143 71 M CA 0.507 55.693 55.300 -0.191 0.000 0.985 71 M CB 0.308 32.810 32.600 -0.163 0.000 1.489 71 M HN 0.568 nan 8.290 nan 0.000 0.484 72 G N 1.865 110.562 108.800 -0.171 0.000 2.258 72 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.274 72 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.274 72 G C -0.084 174.758 174.900 -0.098 0.000 1.021 72 G CA 0.220 45.251 45.100 -0.115 0.000 0.798 72 G HN 0.564 nan 8.290 nan 0.000 0.507 73 N N 0.335 118.958 118.700 -0.128 0.000 2.538 73 N HA 0.229 4.969 4.740 -0.000 0.000 0.291 73 N C 0.464 175.914 175.510 -0.100 0.000 1.323 73 N CA -0.159 52.833 53.050 -0.098 0.000 0.934 73 N CB 0.387 38.817 38.487 -0.094 0.000 1.255 73 N HN 0.371 nan 8.380 nan 0.000 0.509 74 I N 1.143 121.652 120.570 -0.102 0.000 2.395 74 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 74 I C 1.462 177.567 176.117 -0.019 0.000 1.023 74 I CA -0.244 61.008 61.300 -0.080 0.000 1.350 74 I CB 0.767 38.710 38.000 -0.096 0.000 1.409 74 I HN 0.065 nan 8.210 nan 0.000 0.507 75 S N 4.314 120.004 115.700 -0.016 0.000 2.641 75 S HA 0.130 4.600 4.470 -0.000 0.000 0.261 75 S C 0.738 175.339 174.600 0.003 0.000 1.257 75 S CA -0.352 57.843 58.200 -0.009 0.000 0.983 75 S CB 1.251 64.443 63.200 -0.014 0.000 0.990 75 S HN 0.563 nan 8.310 nan 0.000 0.572 76 D N 0.851 121.246 120.400 -0.008 0.000 2.149 76 D HA 0.070 4.710 4.640 -0.000 0.000 0.201 76 D C 2.228 178.515 176.300 -0.021 0.000 0.972 76 D CA 1.627 55.617 54.000 -0.018 0.000 0.835 76 D CB -0.927 39.859 40.800 -0.023 0.000 0.966 76 D HN 0.664 nan 8.370 nan 0.000 0.476 77 A N 0.317 123.128 122.820 -0.015 0.000 1.902 77 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 77 A C 2.330 179.910 177.584 -0.007 0.000 1.181 77 A CA 2.100 54.129 52.037 -0.013 0.000 0.623 77 A CB -0.891 18.104 19.000 -0.008 0.000 0.818 77 A HN 0.215 nan 8.150 nan 0.000 0.443 78 T N -0.602 113.956 114.554 0.006 0.000 2.639 78 T HA -0.131 4.219 4.350 -0.000 0.000 0.261 78 T C 2.054 176.774 174.700 0.032 0.000 1.053 78 T CA 1.364 63.480 62.100 0.028 0.000 1.158 78 T CB -0.281 68.607 68.868 0.033 0.000 0.863 78 T HN 0.474 nan 8.240 nan 0.000 0.413 79 R N 0.783 121.306 120.500 0.038 0.000 2.134 79 R HA -0.205 4.134 4.340 -0.000 0.000 0.248 79 R C 2.704 178.928 176.300 -0.127 0.000 1.143 79 R CA 1.639 57.721 56.100 -0.031 0.000 0.957 79 R CB -0.609 29.658 30.300 -0.054 0.000 0.867 79 R HN 0.416 nan 8.270 nan 0.000 0.441 80 A N 0.464 123.225 122.820 -0.098 0.000 1.902 80 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 80 A C 1.970 179.496 177.584 -0.096 0.000 1.181 80 A CA 1.679 53.646 52.037 -0.117 0.000 0.623 80 A CB -0.339 18.617 19.000 -0.074 0.000 0.818 80 A HN 0.274 nan 8.150 nan 0.000 0.443 81 E N -0.602 119.572 120.200 -0.042 0.000 2.285 81 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 81 E C 1.698 178.305 176.600 0.013 0.000 0.997 81 E CA 0.752 57.147 56.400 -0.009 0.000 0.845 81 E CB -0.117 29.592 29.700 0.015 0.000 0.782 81 E HN 0.271 nan 8.360 nan 0.000 0.491 82 V N 0.939 120.857 119.914 0.007 0.000 2.548 82 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 82 V C 1.972 178.083 176.094 0.029 0.000 1.055 82 V CA 1.615 63.952 62.300 0.062 0.000 1.065 82 V CB -0.290 31.578 31.823 0.074 0.000 0.681 82 V HN 0.238 nan 8.190 nan 0.000 0.462 83 K N 0.013 120.290 120.400 -0.205 0.000 2.155 83 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 83 K C 2.296 178.962 176.600 0.111 0.000 1.052 83 K CA 0.949 57.016 56.287 -0.366 0.000 0.948 83 K CB -0.145 31.867 32.500 -0.814 0.000 0.728 83 K HN 0.324 nan 8.250 nan 0.000 0.448 84 R N 1.095 121.611 120.500 0.027 0.000 2.090 84 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 84 R C 1.922 178.256 176.300 0.057 0.000 1.110 84 R CA 1.255 57.383 56.100 0.046 0.000 0.973 84 R CB 0.154 30.456 30.300 0.005 0.000 0.869 84 R HN -0.090 nan 8.270 nan 0.000 0.440 85 R N -1.337 119.200 120.500 0.062 0.000 2.237 85 R HA 0.203 4.543 4.340 -0.000 0.000 0.195 85 R C 0.961 177.276 176.300 0.025 0.000 0.956 85 R CA 0.916 57.022 56.100 0.009 0.000 1.029 85 R CB 0.631 30.918 30.300 -0.023 0.000 0.972 85 R HN 0.484 nan 8.270 nan 0.000 0.493 86 G N -0.184 108.733 108.800 0.195 0.000 2.162 86 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 86 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 86 G C 0.213 175.297 174.900 0.306 0.000 0.976 86 G CA 0.460 45.713 45.100 0.255 0.000 0.655 86 G HN 0.509 nan 8.290 nan 0.000 0.533 87 C N -2.406 117.030 119.300 0.227 0.000 3.318 87 C HA 1.083 5.543 4.460 -0.000 0.000 0.322 87 C C 0.020 175.201 174.990 0.318 0.000 1.398 87 C CA -0.477 58.689 59.018 0.247 0.000 1.339 87 C CB 1.612 29.098 27.740 -0.422 0.000 1.668 87 C HN 2.187 nan 8.230 nan 0.000 0.462 88 A N 0.511 123.648 122.820 0.529 0.000 2.540 88 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 88 A C -1.325 176.641 177.584 0.637 0.000 1.056 88 A CA -0.355 51.990 52.037 0.514 0.000 0.700 88 A CB 0.970 20.175 19.000 0.343 0.000 1.280 88 A HN 1.664 nan 8.150 nan 0.000 0.398 89 V N 2.901 123.112 119.914 0.495 0.000 2.432 89 V HA 0.355 4.475 4.120 -0.000 0.000 0.275 89 V C 0.032 176.273 176.094 0.246 0.000 1.043 89 V CA -0.072 62.414 62.300 0.311 0.000 0.925 89 V CB 1.229 33.141 31.823 0.148 0.000 0.985 89 V HN 0.675 nan 8.190 nan 0.000 0.466 90 I N 5.669 126.400 120.570 0.268 0.000 2.313 90 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 90 I C 0.585 176.802 176.117 0.166 0.000 1.091 90 I CA -0.436 60.960 61.300 0.159 0.000 1.216 90 I CB 0.340 38.383 38.000 0.071 0.000 1.434 90 I HN 0.491 nan 8.210 nan 0.000 0.487 91 K N 3.998 124.473 120.400 0.125 0.000 2.448 91 K HA 0.078 4.398 4.320 -0.000 0.000 0.278 91 K C 1.139 177.822 176.600 0.140 0.000 1.009 91 K CA 0.638 56.996 56.287 0.118 0.000 0.995 91 K CB 0.694 33.243 32.500 0.083 0.000 0.917 91 K HN 0.885 nan 8.250 nan 0.000 0.481 92 G N 2.371 111.252 108.800 0.135 0.000 2.203 92 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 92 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 92 G C 0.925 175.866 174.900 0.069 0.000 1.012 92 G CA 0.924 46.098 45.100 0.124 0.000 0.749 92 G HN 0.840 nan 8.290 nan 0.000 0.512 93 H N -0.508 118.484 119.070 -0.131 0.000 2.353 93 H HA 0.032 4.588 4.556 -0.000 0.000 0.298 93 H C 0.716 175.407 175.328 -1.063 0.000 1.103 93 H CA 1.500 57.154 56.048 -0.657 0.000 1.293 93 H CB -0.118 29.494 29.762 -0.250 0.000 1.372 93 H HN 0.491 nan 8.280 nan 0.000 0.501 94 F N -0.514 119.366 119.950 -0.117 0.000 2.563 94 F HA 0.408 4.935 4.527 -0.000 0.000 0.316 94 F C -1.974 173.765 175.800 -0.102 0.000 1.076 94 F CA -2.796 55.111 58.000 -0.154 0.000 0.921 94 F CB 1.395 40.318 39.000 -0.129 0.000 1.209 94 F HN -0.119 nan 8.300 nan 0.000 0.462 95 P HA 0.160 nan 4.420 nan 0.000 0.268 95 P C 0.681 177.963 177.300 -0.030 0.000 1.204 95 P CA -0.077 63.026 63.100 0.005 0.000 0.768 95 P CB 0.753 32.433 31.700 -0.032 0.000 0.842 96 R N 2.102 122.592 120.500 -0.017 0.000 2.119 96 R HA -0.204 4.136 4.340 -0.000 0.000 0.246 96 R C 1.437 177.683 176.300 -0.090 0.000 1.146 96 R CA 1.479 57.558 56.100 -0.034 0.000 0.962 96 R CB -0.113 30.177 30.300 -0.016 0.000 0.863 96 R HN 0.539 nan 8.270 nan 0.000 0.442 97 E N -0.111 120.026 120.200 -0.105 0.000 2.427 97 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 97 E C 1.605 178.065 176.600 -0.232 0.000 1.028 97 E CA 0.623 56.941 56.400 -0.136 0.000 0.864 97 E CB 0.135 29.775 29.700 -0.101 0.000 0.813 97 E HN 0.478 nan 8.360 nan 0.000 0.514 98 Q N 0.026 119.630 119.800 -0.328 0.000 2.123 98 Q HA 0.025 4.365 4.340 -0.000 0.000 0.196 98 Q C 2.007 177.490 176.000 -0.862 0.000 0.958 98 Q CA 0.872 56.282 55.803 -0.655 0.000 0.841 98 Q CB 0.122 28.429 28.738 -0.719 0.000 0.915 98 Q HN 0.193 nan 8.270 nan 0.000 0.455 99 A N 0.990 123.526 122.820 -0.473 0.000 1.855 99 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 99 A C 2.030 179.572 177.584 -0.069 0.000 1.191 99 A CA 1.110 53.059 52.037 -0.148 0.000 0.613 99 A CB -0.877 18.118 19.000 -0.008 0.000 0.829 99 A HN 0.413 nan 8.150 nan 0.000 0.442 100 L N -0.648 120.506 121.223 -0.116 0.000 2.042 100 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 100 L C 3.070 179.872 176.870 -0.113 0.000 1.076 100 L CA 1.227 56.001 54.840 -0.111 0.000 0.749 100 L CB -0.595 41.400 42.059 -0.107 0.000 0.893 100 L HN 0.464 nan 8.230 nan 0.000 0.432 101 A N -0.898 121.831 122.820 -0.152 0.000 1.930 101 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 101 A C 1.980 179.547 177.584 -0.028 0.000 1.175 101 A CA 1.072 53.033 52.037 -0.126 0.000 0.627 101 A CB -0.683 18.207 19.000 -0.184 0.000 0.815 101 A HN 0.469 nan 8.150 nan 0.000 0.443 102 W N 0.434 121.645 121.300 -0.148 0.000 2.354 102 W HA -0.130 4.530 4.660 -0.000 0.000 0.315 102 W C 2.020 178.429 176.519 -0.183 0.000 1.206 102 W CA 1.374 58.616 57.345 -0.171 0.000 1.290 102 W CB -1.204 28.125 29.460 -0.218 0.000 1.152 102 W HN 0.455 nan 8.180 nan 0.000 0.489 103 D N -0.207 120.227 120.400 0.056 0.000 2.149 103 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 103 D C 2.024 178.234 176.300 -0.150 0.000 1.001 103 D CA 1.784 55.718 54.000 -0.110 0.000 0.849 103 D CB -0.259 40.424 40.800 -0.194 0.000 0.939 103 D HN 0.281 nan 8.370 nan 0.000 0.449 104 Q N -0.320 119.406 119.800 -0.123 0.000 2.079 104 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 104 Q C 2.361 178.321 176.000 -0.067 0.000 0.974 104 Q CA 1.719 57.449 55.803 -0.121 0.000 0.840 104 Q CB -0.122 28.556 28.738 -0.100 0.000 0.898 104 Q HN 0.349 nan 8.270 nan 0.000 0.430 105 S N 0.328 116.014 115.700 -0.022 0.000 2.382 105 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 105 S C 1.909 176.516 174.600 0.011 0.000 1.027 105 S CA 1.154 59.357 58.200 0.005 0.000 0.991 105 S CB -0.233 62.989 63.200 0.036 0.000 0.823 105 S HN 0.177 nan 8.310 nan 0.000 0.469 106 M N 1.529 121.115 119.600 -0.024 0.000 2.059 106 M HA 0.083 4.563 4.480 -0.000 0.000 0.259 106 M C 2.131 178.431 176.300 -0.000 0.000 1.072 106 M CA 1.380 56.676 55.300 -0.007 0.000 1.117 106 M CB -0.680 31.866 32.600 -0.089 0.000 1.320 106 M HN 0.394 nan 8.290 nan 0.000 0.408 107 L N -0.215 120.965 121.223 -0.073 0.000 2.010 107 L HA -0.343 3.997 4.340 -0.000 0.000 0.219 107 L C 1.881 178.723 176.870 -0.046 0.000 1.077 107 L CA 2.354 57.150 54.840 -0.073 0.000 0.773 107 L CB -0.488 41.497 42.059 -0.122 0.000 0.892 107 L HN 0.384 nan 8.230 nan 0.000 0.436 108 D N -2.207 118.176 120.400 -0.030 0.000 2.183 108 D HA -0.244 4.396 4.640 -0.000 0.000 0.203 108 D C 1.940 178.223 176.300 -0.027 0.000 0.969 108 D CA 0.962 54.942 54.000 -0.033 0.000 0.842 108 D CB -0.122 40.667 40.800 -0.018 0.000 0.957 108 D HN 0.515 nan 8.370 nan 0.000 0.484 109 Y N 0.540 120.770 120.300 -0.116 0.000 2.145 109 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 109 Y C 1.940 177.681 175.900 -0.264 0.000 1.145 109 Y CA 1.329 59.354 58.100 -0.125 0.000 1.148 109 Y CB -0.048 38.395 38.460 -0.029 0.000 0.981 109 Y HN -0.041 nan 8.280 nan 0.000 0.507 110 L N -0.005 121.064 121.223 -0.256 0.000 1.989 110 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 110 L C 2.175 178.814 176.870 -0.385 0.000 1.071 110 L CA 1.877 56.484 54.840 -0.388 0.000 0.749 110 L CB -0.786 41.193 42.059 -0.133 0.000 0.890 110 L HN 0.244 nan 8.230 nan 0.000 0.431 111 D N 0.119 120.377 120.400 -0.236 0.000 2.116 111 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 111 D C 2.141 178.194 176.300 -0.412 0.000 0.998 111 D CA 1.276 55.140 54.000 -0.226 0.000 0.836 111 D CB 0.146 40.869 40.800 -0.129 0.000 0.951 111 D HN 0.029 nan 8.370 nan 0.000 0.449 112 K N -0.132 120.009 120.400 -0.430 0.000 2.365 112 K HA 0.005 4.325 4.320 -0.000 0.000 0.199 112 K C 0.709 176.834 176.600 -0.792 0.000 1.045 112 K CA 0.533 56.522 56.287 -0.497 0.000 0.962 112 K CB 0.032 32.366 32.500 -0.275 0.000 0.759 112 K HN 0.309 nan 8.250 nan 0.000 0.469 113 N N 0.178 118.301 118.700 -0.962 0.000 2.204 113 N HA 0.009 4.749 4.740 -0.000 0.000 0.219 113 N C -0.795 174.236 175.510 -0.797 0.000 1.151 113 N CA 0.032 52.395 53.050 -1.145 0.000 0.867 113 N CB 0.382 37.537 38.487 -2.221 0.000 1.043 113 N HN 0.256 nan 8.380 nan 0.000 0.516 114 H N -1.338 117.496 119.070 -0.393 0.000 2.839 114 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 114 H C 0.964 176.241 175.328 -0.084 0.000 1.224 114 H CA 0.360 56.301 56.048 -0.179 0.000 1.144 114 H CB -2.059 27.634 29.762 -0.115 0.000 1.372 114 H HN 0.173 nan 8.280 nan 0.000 0.408 115 F N 1.949 121.758 119.950 -0.236 0.000 2.015 115 F HA -0.239 4.288 4.527 -0.000 0.000 0.297 115 F C 2.024 177.806 175.800 -0.029 0.000 1.141 115 F CA 2.561 60.489 58.000 -0.121 0.000 1.192 115 F CB -0.451 38.459 39.000 -0.149 0.000 0.957 115 F HN 0.232 nan 8.300 nan 0.000 0.491 116 D N -0.149 120.115 120.400 -0.226 0.000 2.228 116 D HA -0.179 4.461 4.640 -0.000 0.000 0.203 116 D C 2.038 178.248 176.300 -0.151 0.000 0.988 116 D CA 1.592 55.423 54.000 -0.283 0.000 0.864 116 D CB -0.240 40.496 40.800 -0.106 0.000 0.928 116 D HN 0.499 nan 8.370 nan 0.000 0.469 117 E N -0.229 119.932 120.200 -0.065 0.000 2.006 117 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 117 E C 2.184 178.774 176.600 -0.017 0.000 0.993 117 E CA 0.828 57.213 56.400 -0.025 0.000 0.808 117 E CB -0.009 29.694 29.700 0.004 0.000 0.764 117 E HN 0.051 nan 8.360 nan 0.000 0.449 118 V N 0.366 120.292 119.914 0.019 0.000 2.515 118 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 118 V C 0.959 177.111 176.094 0.096 0.000 1.058 118 V CA 0.898 63.258 62.300 0.100 0.000 1.064 118 V CB -0.626 31.330 31.823 0.222 0.000 0.675 118 V HN 0.319 nan 8.190 nan 0.000 0.461 119 Y N 2.130 122.265 120.300 -0.274 0.000 2.770 119 Y HA -0.090 4.460 4.550 -0.000 0.000 0.342 119 Y C 1.541 177.423 175.900 -0.030 0.000 1.221 119 Y CA 0.210 58.131 58.100 -0.298 0.000 1.560 119 Y CB 0.212 38.239 38.460 -0.722 0.000 1.213 119 Y HN 0.205 nan 8.280 nan 0.000 0.525 120 K N 4.174 124.489 120.400 -0.141 0.000 2.141 120 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 120 K C 1.398 177.730 176.600 -0.447 0.000 1.045 120 K CA 0.492 56.656 56.287 -0.205 0.000 0.971 120 K CB -0.125 32.382 32.500 0.011 0.000 0.795 120 K HN 0.751 nan 8.250 nan 0.000 0.459 121 G N 2.568 111.042 108.800 -0.543 0.000 2.590 121 G HA2 0.085 4.045 3.960 -0.000 0.000 0.276 121 G HA3 0.085 4.045 3.960 -0.000 0.000 0.276 121 G C -2.260 172.413 174.900 -0.379 0.000 1.337 121 G CA -0.828 44.078 45.100 -0.324 0.000 1.030 121 G HN 0.001 nan 8.290 nan 0.000 0.534 122 P HA 0.087 nan 4.420 nan 0.000 0.260 122 P C 0.880 178.234 177.300 0.088 0.000 1.172 122 P CA 0.715 63.876 63.100 0.101 0.000 0.760 122 P CB 0.599 32.354 31.700 0.092 0.000 0.773 123 G N 1.516 110.408 108.800 0.154 0.000 2.848 123 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.208 123 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.208 123 G C 0.112 175.077 174.900 0.109 0.000 1.152 123 G CA 0.314 45.489 45.100 0.125 0.000 0.789 123 G HN 0.539 nan 8.290 nan 0.000 0.531 124 D N -1.895 118.577 120.400 0.120 0.000 2.596 124 D HA 0.322 4.962 4.640 -0.000 0.000 0.234 124 D C -0.993 175.385 176.300 0.130 0.000 1.181 124 D CA -0.835 53.237 54.000 0.121 0.000 0.856 124 D CB 1.322 42.202 40.800 0.133 0.000 1.498 124 D HN -0.130 nan 8.370 nan 0.000 0.446 125 N N 2.065 120.838 118.700 0.122 0.000 2.644 125 N HA 0.182 4.922 4.740 -0.000 0.000 0.313 125 N C -0.371 175.193 175.510 0.090 0.000 1.863 125 N CA -0.372 52.752 53.050 0.124 0.000 0.918 125 N CB -0.291 38.249 38.487 0.089 0.000 1.320 125 N HN 0.375 nan 8.380 nan 0.000 0.490 126 F N -0.029 119.809 119.950 -0.185 0.000 2.333 126 F HA 0.022 4.549 4.527 -0.000 0.000 0.300 126 F C 0.279 175.760 175.800 -0.532 0.000 1.083 126 F CA 1.223 58.961 58.000 -0.437 0.000 1.395 126 F CB 0.184 38.766 39.000 -0.696 0.000 1.056 126 F HN 0.231 nan 8.300 nan 0.000 0.529 127 F N -1.000 118.948 119.950 -0.002 0.000 2.639 127 F HA 0.311 4.837 4.527 -0.000 0.000 0.302 127 F C 2.060 177.823 175.800 -0.061 0.000 1.097 127 F CA 0.212 58.156 58.000 -0.094 0.000 1.294 127 F CB -0.553 38.420 39.000 -0.045 0.000 1.027 127 F HN -0.120 nan 8.300 nan 0.000 0.550 128 G N 0.509 109.353 108.800 0.074 0.000 2.499 128 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 128 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 128 G C 1.608 176.534 174.900 0.043 0.000 1.109 128 G CA 1.698 46.833 45.100 0.058 0.000 0.749 128 G HN 0.406 nan 8.290 nan 0.000 0.568 129 T N -1.245 113.322 114.554 0.022 0.000 3.148 129 T HA 0.425 4.775 4.350 -0.000 0.000 0.253 129 T C 0.659 175.398 174.700 0.064 0.000 1.134 129 T CA -0.003 62.115 62.100 0.030 0.000 1.051 129 T CB 0.004 68.871 68.868 -0.003 0.000 0.959 129 T HN 0.112 nan 8.240 nan 0.000 0.525 130 L N 0.355 121.626 121.223 0.080 0.000 2.346 130 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 130 L C 1.156 178.061 176.870 0.058 0.000 1.007 130 L CA -0.894 53.995 54.840 0.081 0.000 0.818 130 L CB 1.976 44.090 42.059 0.091 0.000 1.284 130 L HN -0.078 nan 8.230 nan 0.000 0.424 131 S N 1.462 117.190 115.700 0.047 0.000 2.348 131 S HA -0.050 4.420 4.470 -0.000 0.000 0.221 131 S C 0.868 175.478 174.600 0.016 0.000 1.033 131 S CA 1.275 59.492 58.200 0.030 0.000 1.010 131 S CB -0.026 63.189 63.200 0.025 0.000 0.891 131 S HN 0.703 nan 8.310 nan 0.000 0.442 132 A N 1.593 124.415 122.820 0.004 0.000 2.506 132 A HA 0.470 4.790 4.320 -0.000 0.000 0.320 132 A C 0.828 178.374 177.584 -0.062 0.000 1.424 132 A CA -0.486 51.538 52.037 -0.022 0.000 1.044 132 A CB 0.099 19.084 19.000 -0.025 0.000 1.140 132 A HN 0.353 nan 8.150 nan 0.000 0.538 133 S N 1.669 117.341 115.700 -0.047 0.000 2.523 133 S HA 0.217 4.687 4.470 -0.000 0.000 0.217 133 S C 0.622 175.146 174.600 -0.125 0.000 0.996 133 S CA -0.173 57.995 58.200 -0.053 0.000 0.921 133 S CB 0.243 63.500 63.200 0.094 0.000 0.829 133 S HN 0.610 nan 8.310 nan 0.000 0.495 134 R N 2.854 123.293 120.500 -0.101 0.000 2.335 134 R HA 0.447 4.787 4.340 -0.000 0.000 0.302 134 R C -3.027 173.232 176.300 -0.068 0.000 1.147 134 R CA -1.621 54.437 56.100 -0.071 0.000 1.111 134 R CB 1.171 31.465 30.300 -0.010 0.000 1.122 134 R HN 0.249 nan 8.270 nan 0.000 0.557 135 P HA 0.166 nan 4.420 nan 0.000 0.287 135 P C -0.757 176.678 177.300 0.224 0.000 1.270 135 P CA -0.611 62.527 63.100 0.062 0.000 0.844 135 P CB 1.063 32.831 31.700 0.114 0.000 1.068 136 E N 1.449 121.815 120.200 0.276 0.000 2.354 136 E HA 0.171 4.521 4.350 -0.000 0.000 0.269 136 E C 0.414 177.248 176.600 0.390 0.000 1.036 136 E CA -0.626 55.919 56.400 0.242 0.000 0.876 136 E CB 0.690 30.457 29.700 0.112 0.000 1.009 136 E HN 0.412 nan 8.360 nan 0.000 0.416 137 I N 3.712 124.464 120.570 0.304 0.000 3.252 137 I HA -0.306 3.864 4.170 -0.000 0.000 0.331 137 I C 0.532 176.890 176.117 0.401 0.000 1.237 137 I CA 0.775 62.280 61.300 0.342 0.000 1.436 137 I CB -0.470 37.646 38.000 0.194 0.000 1.338 137 I HN 0.450 nan 8.210 nan 0.000 0.512 138 Y N 8.277 128.581 120.300 0.008 0.000 3.133 138 Y HA 0.322 4.872 4.550 -0.000 0.000 0.467 138 Y C -1.642 174.138 175.900 -0.200 0.000 1.219 138 Y CA -0.939 57.124 58.100 -0.062 0.000 1.802 138 Y CB -0.983 37.485 38.460 0.013 0.000 1.541 138 Y HN 0.395 nan 8.280 nan 0.000 0.778 139 P HA 0.312 nan 4.420 nan 0.000 0.185 139 P C -1.622 175.274 177.300 -0.674 0.000 1.858 139 P CA -0.197 62.758 63.100 -0.243 0.000 1.348 139 P CB 1.006 32.737 31.700 0.052 0.000 1.556 140 V N 0.447 119.851 119.914 -0.849 0.000 2.864 140 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 140 V C -0.062 175.442 176.094 -0.984 0.000 1.073 140 V CA -0.690 61.099 62.300 -0.852 0.000 0.956 140 V CB 1.906 33.458 31.823 -0.451 0.000 1.023 140 V HN 0.142 nan 8.190 nan 0.000 0.435 141 Y N 0.064 120.101 120.300 -0.438 0.000 2.585 141 Y HA 0.373 4.923 4.550 -0.000 0.000 0.272 141 Y C 0.938 176.363 175.900 -0.791 0.000 1.119 141 Y CA -0.246 57.359 58.100 -0.824 0.000 1.255 141 Y CB 0.488 38.125 38.460 -1.371 0.000 1.284 141 Y HN 0.693 nan 8.280 nan 0.000 0.499 142 W N 1.281 122.620 121.300 0.064 0.000 2.570 142 W HA 0.413 5.073 4.660 -0.000 0.000 0.410 142 W C 0.345 176.805 176.519 -0.099 0.000 0.889 142 W CA -0.636 56.719 57.345 0.016 0.000 2.386 142 W CB 0.150 29.670 29.460 0.100 0.000 1.228 142 W HN -0.211 nan 8.180 nan 0.000 0.692 143 S N -0.354 115.266 115.700 -0.134 0.000 2.572 143 S HA 0.036 4.505 4.470 -0.000 0.000 0.279 143 S C 1.113 175.556 174.600 -0.262 0.000 1.341 143 S CA -0.191 57.696 58.200 -0.522 0.000 1.043 143 S CB 1.437 64.350 63.200 -0.478 0.000 0.887 143 S HN 0.437 nan 8.310 nan 0.000 0.516 144 Q N 1.957 121.636 119.800 -0.202 0.000 2.135 144 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 144 Q C 2.546 178.470 176.000 -0.127 0.000 0.981 144 Q CA 1.728 57.551 55.803 0.032 0.000 0.856 144 Q CB -0.659 28.119 28.738 0.066 0.000 0.902 144 Q HN 0.973 nan 8.270 nan 0.000 0.425 145 A N 0.837 123.493 122.820 -0.273 0.000 1.892 145 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 145 A C 1.970 179.044 177.584 -0.850 0.000 1.188 145 A CA 1.880 53.544 52.037 -0.621 0.000 0.631 145 A CB -0.580 18.124 19.000 -0.492 0.000 0.822 145 A HN 0.381 nan 8.150 nan 0.000 0.447 146 Q N -1.669 117.788 119.800 -0.573 0.000 1.990 146 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 146 Q C 2.321 178.025 176.000 -0.493 0.000 0.980 146 Q CA 1.547 57.032 55.803 -0.530 0.000 0.832 146 Q CB -0.235 28.269 28.738 -0.390 0.000 0.897 146 Q HN 0.528 nan 8.270 nan 0.000 0.427 147 M N 0.433 119.736 119.600 -0.495 0.000 2.149 147 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 147 M C 2.005 177.996 176.300 -0.515 0.000 1.064 147 M CA 1.673 56.567 55.300 -0.678 0.000 1.102 147 M CB -0.842 30.847 32.600 -1.519 0.000 1.369 147 M HN 0.286 nan 8.290 nan 0.000 0.408 148 Q N -0.620 118.972 119.800 -0.346 0.000 2.061 148 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 148 Q C 2.124 178.072 176.000 -0.088 0.000 0.984 148 Q CA 1.972 57.734 55.803 -0.068 0.000 0.846 148 Q CB -0.215 28.593 28.738 0.117 0.000 0.902 148 Q HN 0.587 nan 8.270 nan 0.000 0.421 149 A N 0.883 123.456 122.820 -0.412 0.000 1.930 149 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 149 A C 1.970 179.497 177.584 -0.095 0.000 1.175 149 A CA 1.175 52.960 52.037 -0.419 0.000 0.627 149 A CB -0.343 18.050 19.000 -1.013 0.000 0.815 149 A HN 0.210 nan 8.150 nan 0.000 0.443 150 R N -0.194 120.216 120.500 -0.151 0.000 2.075 150 R HA -0.182 4.158 4.340 -0.000 0.000 0.230 150 R C 2.553 178.891 176.300 0.064 0.000 1.140 150 R CA 1.817 57.899 56.100 -0.031 0.000 0.928 150 R CB -0.457 29.786 30.300 -0.094 0.000 0.834 150 R HN 0.877 nan 8.270 nan 0.000 0.429 151 Q N 1.289 121.114 119.800 0.041 0.000 2.436 151 Q HA -0.019 4.321 4.340 -0.000 0.000 0.209 151 Q C 0.279 176.374 176.000 0.157 0.000 0.965 151 Q CA 0.642 56.526 55.803 0.135 0.000 0.910 151 Q CB -0.052 28.767 28.738 0.135 0.000 0.980 151 Q HN 0.133 nan 8.270 nan 0.000 0.491 152 S N 0.313 116.114 115.700 0.168 0.000 2.561 152 S HA -0.126 4.344 4.470 -0.000 0.000 0.294 152 S C 0.840 175.527 174.600 0.144 0.000 1.294 152 S CA 0.052 58.387 58.200 0.225 0.000 1.055 152 S CB 1.068 64.515 63.200 0.411 0.000 0.819 152 S HN 0.480 nan 8.310 nan 0.000 0.503 153 E N 1.602 121.872 120.200 0.117 0.000 2.153 153 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 153 E C 1.707 178.342 176.600 0.059 0.000 0.988 153 E CA 1.439 57.864 56.400 0.042 0.000 0.811 153 E CB -0.075 29.666 29.700 0.068 0.000 0.746 153 E HN 0.947 nan 8.360 nan 0.000 0.466 154 E N 0.157 120.414 120.200 0.095 0.000 2.481 154 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 154 E C 1.808 178.475 176.600 0.113 0.000 1.047 154 E CA 0.270 56.715 56.400 0.076 0.000 0.867 154 E CB -0.224 29.373 29.700 -0.172 0.000 0.858 154 E HN 0.219 nan 8.360 nan 0.000 0.513 155 M N 2.206 121.902 119.600 0.161 0.000 2.160 155 M HA 0.147 4.627 4.480 -0.000 0.000 0.264 155 M C 2.304 178.687 176.300 0.138 0.000 1.073 155 M CA 1.806 57.265 55.300 0.264 0.000 1.142 155 M CB -0.700 32.072 32.600 0.286 0.000 1.358 155 M HN 0.090 nan 8.290 nan 0.000 0.422 156 A N 0.587 123.413 122.820 0.010 0.000 1.940 156 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 156 A C 2.283 179.843 177.584 -0.040 0.000 1.190 156 A CA 2.217 54.172 52.037 -0.136 0.000 0.647 156 A CB -1.402 17.282 19.000 -0.526 0.000 0.821 156 A HN 0.609 nan 8.150 nan 0.000 0.457 157 L N -1.305 119.928 121.223 0.018 0.000 2.012 157 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 157 L C 3.151 180.032 176.870 0.019 0.000 1.073 157 L CA 1.358 56.221 54.840 0.037 0.000 0.748 157 L CB -0.600 41.518 42.059 0.099 0.000 0.891 157 L HN 0.501 nan 8.230 nan 0.000 0.431 158 A N -0.839 121.982 122.820 0.001 0.000 1.898 158 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 158 A C 2.149 179.596 177.584 -0.228 0.000 1.181 158 A CA 1.345 53.284 52.037 -0.164 0.000 0.620 158 A CB -0.451 18.368 19.000 -0.302 0.000 0.819 158 A HN 0.430 nan 8.150 nan 0.000 0.442 159 Q N -0.600 119.103 119.800 -0.162 0.000 2.030 159 Q HA -0.183 4.156 4.340 -0.000 0.000 0.204 159 Q C 2.509 178.453 176.000 -0.093 0.000 0.986 159 Q CA 2.014 57.718 55.803 -0.164 0.000 0.843 159 Q CB -0.306 28.418 28.738 -0.024 0.000 0.904 159 Q HN 0.687 nan 8.270 nan 0.000 0.420 160 S N 0.046 115.742 115.700 -0.008 0.000 2.365 160 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 160 S C 1.692 176.313 174.600 0.034 0.000 1.039 160 S CA 1.494 59.717 58.200 0.038 0.000 1.033 160 S CB -0.428 62.810 63.200 0.062 0.000 0.887 160 S HN 0.496 nan 8.310 nan 0.000 0.447 161 F N 1.411 121.288 119.950 -0.121 0.000 2.216 161 F HA 0.057 4.584 4.527 -0.000 0.000 0.300 161 F C 1.678 177.390 175.800 -0.148 0.000 1.085 161 F CA 1.317 59.236 58.000 -0.136 0.000 1.326 161 F CB -0.244 38.640 39.000 -0.194 0.000 1.027 161 F HN 0.229 nan 8.300 nan 0.000 0.497 162 L N 0.138 121.153 121.223 -0.346 0.000 2.084 162 L HA -0.129 4.211 4.340 -0.000 0.000 0.202 162 L C 2.156 178.986 176.870 -0.067 0.000 1.074 162 L CA 1.531 56.067 54.840 -0.507 0.000 0.757 162 L CB -0.926 40.685 42.059 -0.747 0.000 0.918 162 L HN 0.103 nan 8.230 nan 0.000 0.444 163 N N -0.144 118.574 118.700 0.030 0.000 2.094 163 N HA -0.247 4.493 4.740 -0.000 0.000 0.191 163 N C 1.759 177.486 175.510 0.362 0.000 1.023 163 N CA 0.943 54.120 53.050 0.211 0.000 0.857 163 N CB -0.087 38.457 38.487 0.096 0.000 1.013 163 N HN 0.089 nan 8.380 nan 0.000 0.426 164 R N 0.868 121.445 120.500 0.128 0.000 2.261 164 R HA -0.011 4.329 4.340 -0.000 0.000 0.236 164 R C 1.508 177.820 176.300 0.020 0.000 1.141 164 R CA 0.629 56.766 56.100 0.061 0.000 1.001 164 R CB -0.327 29.932 30.300 -0.068 0.000 0.866 164 R HN 0.333 nan 8.270 nan 0.000 0.468 165 L N -1.783 119.445 121.223 0.008 0.000 2.478 165 L HA 0.032 4.372 4.340 -0.000 0.000 0.223 165 L C 0.052 176.920 176.870 -0.003 0.000 1.140 165 L CA 0.010 54.752 54.840 -0.162 0.000 0.842 165 L CB 0.008 41.838 42.059 -0.382 0.000 0.953 165 L HN 0.125 nan 8.230 nan 0.000 0.452 166 W N 0.067 121.492 121.300 0.208 0.000 2.417 166 W HA 0.361 5.021 4.660 -0.000 0.000 0.317 166 W C 0.241 176.862 176.519 0.170 0.000 1.121 166 W CA -0.619 56.936 57.345 0.350 0.000 1.208 166 W CB 0.599 30.393 29.460 0.557 0.000 1.253 166 W HN -0.151 nan 8.180 nan 0.000 0.533 167 Q N 1.467 121.469 119.800 0.336 0.000 2.262 167 Q HA 0.075 4.415 4.340 -0.000 0.000 0.272 167 Q C 0.640 176.738 176.000 0.163 0.000 1.076 167 Q CA 0.162 56.078 55.803 0.188 0.000 0.905 167 Q CB 0.564 29.385 28.738 0.138 0.000 1.182 167 Q HN 0.471 nan 8.270 nan 0.000 0.390 168 V N 2.215 122.153 119.914 0.039 0.000 3.263 168 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 168 V C 1.732 177.827 176.094 0.002 0.000 1.145 168 V CA 1.244 63.461 62.300 -0.139 0.000 1.107 168 V CB -0.250 31.366 31.823 -0.347 0.000 0.797 168 V HN 0.845 nan 8.190 nan 0.000 0.467 169 E N 0.843 121.065 120.200 0.038 0.000 2.008 169 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 169 E C 1.643 178.291 176.600 0.079 0.000 0.986 169 E CA 1.666 58.075 56.400 0.016 0.000 0.807 169 E CB -0.428 29.270 29.700 -0.002 0.000 0.766 169 E HN 0.597 nan 8.360 nan 0.000 0.450 170 H N 0.651 119.744 119.070 0.040 0.000 1.452 170 H HA -0.232 4.324 4.556 -0.000 0.000 0.090 170 H C -0.630 174.695 175.328 -0.004 0.000 1.042 170 H CA 2.220 58.312 56.048 0.074 0.000 1.901 170 H CB -1.055 28.844 29.762 0.229 0.000 2.257 170 H HN 0.432 nan 8.280 nan 0.000 0.961 171 D N -0.090 120.316 120.400 0.010 0.000 2.217 171 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 171 D C 0.703 176.792 176.300 -0.352 0.000 1.008 171 D CA 0.687 54.593 54.000 -0.158 0.000 0.914 171 D CB 1.183 41.974 40.800 -0.015 0.000 1.182 171 D HN 0.970 nan 8.370 nan 0.000 0.451 172 G N 2.166 110.797 108.800 -0.281 0.000 2.393 172 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.299 172 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.299 172 G C 1.121 175.832 174.900 -0.314 0.000 0.990 172 G CA 1.267 46.186 45.100 -0.302 0.000 1.118 172 G HN 0.563 nan 8.290 nan 0.000 0.513 173 K N -1.938 118.327 120.400 -0.225 0.000 6.293 173 K HA -0.324 3.996 4.320 -0.000 0.000 0.415 173 K C 1.238 177.730 176.600 -0.181 0.000 0.536 173 K CA 3.033 59.218 56.287 -0.170 0.000 1.684 173 K CB -0.768 31.658 32.500 -0.124 0.000 1.202 173 K HN 1.461 nan 8.250 nan 0.000 0.733 174 R N -2.418 117.926 120.500 -0.260 0.000 2.837 174 R HA 0.512 4.852 4.340 -0.000 0.000 0.271 174 R C 0.273 176.344 176.300 -0.381 0.000 0.993 174 R CA -0.462 55.496 56.100 -0.237 0.000 0.931 174 R CB 0.382 30.593 30.300 -0.148 0.000 1.206 174 R HN 0.100 nan 8.270 nan 0.000 0.474 175 W N 0.764 121.924 121.300 -0.232 0.000 2.893 175 W HA 0.323 4.983 4.660 -0.000 0.000 0.253 175 W C -0.060 176.410 176.519 -0.081 0.000 1.171 175 W CA -0.008 57.215 57.345 -0.203 0.000 1.480 175 W CB 0.667 29.969 29.460 -0.263 0.000 0.963 175 W HN 0.479 nan 8.180 nan 0.000 0.637 176 F N -1.808 118.265 119.950 0.205 0.000 2.685 176 F HA 0.387 4.914 4.527 -0.000 0.000 0.315 176 F C -0.809 175.046 175.800 0.091 0.000 1.126 176 F CA -1.716 56.362 58.000 0.129 0.000 0.950 176 F CB 0.679 39.765 39.000 0.143 0.000 1.360 176 F HN -0.302 nan 8.300 nan 0.000 0.469 177 N N 2.746 121.692 118.700 0.409 0.000 2.437 177 N HA 0.292 5.032 4.740 -0.000 0.000 0.243 177 N C -2.030 173.717 175.510 0.395 0.000 1.041 177 N CA -2.051 51.171 53.050 0.287 0.000 0.940 177 N CB 1.250 39.834 38.487 0.162 0.000 1.133 177 N HN 0.394 nan 8.380 nan 0.000 0.506 178 P HA 0.032 nan 4.420 nan 0.000 0.247 178 P C -0.489 176.930 177.300 0.197 0.000 1.225 178 P CA 0.698 64.034 63.100 0.394 0.000 0.768 178 P CB 0.384 32.310 31.700 0.376 0.000 1.020 179 D N -0.919 119.581 120.400 0.167 0.000 2.500 179 D HA 0.171 4.811 4.640 -0.000 0.000 0.217 179 D C 0.470 176.870 176.300 0.166 0.000 1.159 179 D CA 0.207 54.291 54.000 0.140 0.000 0.828 179 D CB 1.227 42.099 40.800 0.119 0.000 1.039 179 D HN 0.155 nan 8.370 nan 0.000 0.512 180 I N 0.656 121.313 120.570 0.144 0.000 2.608 180 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 180 I C -0.039 176.142 176.117 0.106 0.000 1.049 180 I CA -0.499 60.876 61.300 0.126 0.000 1.063 180 I CB 1.974 39.998 38.000 0.039 0.000 1.248 180 I HN -0.359 nan 8.210 nan 0.000 0.424 181 S N 4.844 120.622 115.700 0.129 0.000 2.548 181 S HA 0.697 5.167 4.470 -0.000 0.000 0.286 181 S C -0.191 174.461 174.600 0.088 0.000 1.098 181 S CA -0.654 57.592 58.200 0.077 0.000 0.930 181 S CB 2.562 65.802 63.200 0.068 0.000 1.070 181 S HN 0.547 nan 8.310 nan 0.000 0.480 182 I N -0.131 120.485 120.570 0.076 0.000 2.823 182 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 182 I C -0.362 175.846 176.117 0.151 0.000 1.091 182 I CA -0.637 60.728 61.300 0.109 0.000 1.365 182 I CB 0.252 38.334 38.000 0.135 0.000 1.427 182 I HN 0.331 nan 8.210 nan 0.000 0.583 183 I N 4.923 125.579 120.570 0.144 0.000 2.505 183 I HA 0.012 4.182 4.170 -0.000 0.000 0.287 183 I C -0.498 175.755 176.117 0.227 0.000 1.104 183 I CA 0.299 61.691 61.300 0.152 0.000 1.387 183 I CB -0.683 37.381 38.000 0.107 0.000 1.404 183 I HN 0.603 nan 8.210 nan 0.000 0.528 184 Y N 9.219 129.587 120.300 0.112 0.000 2.721 184 Y HA 0.435 4.985 4.550 -0.000 0.000 0.328 184 Y C -2.157 173.819 175.900 0.126 0.000 1.003 184 Y CA -2.417 55.783 58.100 0.166 0.000 1.275 184 Y CB 0.902 39.447 38.460 0.141 0.000 1.097 184 Y HN 0.454 nan 8.280 nan 0.000 0.514 185 P HA 0.131 nan 4.420 nan 0.000 0.276 185 P C -0.813 176.330 177.300 -0.261 0.000 1.243 185 P CA 0.283 63.197 63.100 -0.310 0.000 0.768 185 P CB 1.079 32.414 31.700 -0.609 0.000 0.856 186 D N 1.679 122.021 120.400 -0.097 0.000 2.714 186 D HA 0.381 5.021 4.640 -0.000 0.000 0.278 186 D C 0.058 176.311 176.300 -0.080 0.000 1.102 186 D CA -0.714 53.278 54.000 -0.013 0.000 1.108 186 D CB 1.903 42.810 40.800 0.178 0.000 1.444 186 D HN 0.102 nan 8.370 nan 0.000 0.568 187 R N -0.495 119.933 120.500 -0.119 0.000 2.517 187 R HA 0.635 4.975 4.340 -0.000 0.000 0.250 187 R C 0.172 176.425 176.300 -0.079 0.000 1.213 187 R CA -0.650 55.315 56.100 -0.225 0.000 1.146 187 R CB 0.634 30.871 30.300 -0.104 0.000 1.279 187 R HN 0.471 nan 8.270 nan 0.000 0.597 188 I N -2.633 117.749 120.570 -0.313 0.000 3.002 188 I HA 0.585 4.755 4.170 -0.000 0.000 0.310 188 I C -0.861 174.836 176.117 -0.700 0.000 1.087 188 I CA -1.189 59.798 61.300 -0.522 0.000 1.017 188 I CB 2.387 40.133 38.000 -0.423 0.000 1.226 188 I HN 0.380 nan 8.210 nan 0.000 0.443 189 R N 2.870 122.927 120.500 -0.739 0.000 2.451 189 R HA 0.520 4.860 4.340 -0.000 0.000 0.307 189 R C -1.245 174.837 176.300 -0.362 0.000 0.965 189 R CA -0.698 55.007 56.100 -0.658 0.000 0.865 189 R CB 1.421 31.313 30.300 -0.680 0.000 1.174 189 R HN 0.805 nan 8.270 nan 0.000 0.455 190 R N 4.257 124.648 120.500 -0.181 0.000 2.358 190 R HA 0.332 4.672 4.340 -0.000 0.000 0.309 190 R C -0.903 175.430 176.300 0.055 0.000 1.026 190 R CA -0.601 55.486 56.100 -0.022 0.000 0.909 190 R CB 0.878 31.194 30.300 0.027 0.000 1.153 190 R HN 0.552 nan 8.270 nan 0.000 0.515 191 R N 4.615 125.143 120.500 0.047 0.000 2.360 191 R HA 0.365 4.705 4.340 -0.000 0.000 0.318 191 R C -2.511 173.694 176.300 -0.157 0.000 0.950 191 R CA -2.004 54.078 56.100 -0.030 0.000 0.837 191 R CB 1.906 32.175 30.300 -0.052 0.000 1.165 191 R HN 0.332 nan 8.270 nan 0.000 0.458 192 P HA 0.214 nan 4.420 nan 0.000 0.276 192 P C -2.588 174.234 177.300 -0.798 0.000 1.244 192 P CA -2.079 60.290 63.100 -1.219 0.000 0.801 192 P CB 0.235 31.347 31.700 -0.979 0.000 1.006 193 P HA -0.013 nan 4.420 nan 0.000 0.264 193 P C 1.143 178.261 177.300 -0.304 0.000 1.179 193 P CA 1.637 64.460 63.100 -0.462 0.000 0.763 193 P CB -0.276 31.189 31.700 -0.391 0.000 0.806 194 G N 1.256 109.940 108.800 -0.193 0.000 2.258 194 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.233 194 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.233 194 G C 0.414 175.245 174.900 -0.115 0.000 1.006 194 G CA 0.122 45.142 45.100 -0.134 0.000 0.620 194 G HN 0.645 nan 8.290 nan 0.000 0.511 195 T N 2.168 116.638 114.554 -0.141 0.000 2.903 195 T HA 0.401 4.751 4.350 -0.000 0.000 0.299 195 T C 0.334 174.996 174.700 -0.064 0.000 1.041 195 T CA 1.537 63.577 62.100 -0.101 0.000 1.138 195 T CB 0.647 69.449 68.868 -0.110 0.000 1.040 195 T HN 0.362 nan 8.240 nan 0.000 0.524 196 T N 3.099 117.627 114.554 -0.044 0.000 2.824 196 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 196 T C -0.572 174.117 174.700 -0.017 0.000 0.993 196 T CA -0.589 61.494 62.100 -0.028 0.000 0.967 196 T CB 1.519 70.373 68.868 -0.025 0.000 0.960 196 T HN 0.541 nan 8.240 nan 0.000 0.441 197 S N 1.492 117.186 115.700 -0.011 0.000 2.533 197 S HA 0.356 4.826 4.470 -0.000 0.000 0.271 197 S C 0.544 175.142 174.600 -0.003 0.000 1.143 197 S CA -0.800 57.399 58.200 -0.003 0.000 0.891 197 S CB 1.161 64.364 63.200 0.004 0.000 1.105 197 S HN 0.528 nan 8.310 nan 0.000 0.468 198 K N 2.054 122.451 120.400 -0.005 0.000 2.217 198 K HA 0.205 4.524 4.320 -0.000 0.000 0.202 198 K C 1.381 177.975 176.600 -0.009 0.000 1.051 198 K CA 1.156 57.438 56.287 -0.008 0.000 0.952 198 K CB -0.659 31.835 32.500 -0.010 0.000 0.736 198 K HN 1.062 nan 8.250 nan 0.000 0.453 199 G N 0.866 109.662 108.800 -0.006 0.000 2.445 199 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.212 199 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.212 199 G C -1.630 173.255 174.900 -0.025 0.000 1.217 199 G CA -0.451 44.651 45.100 0.002 0.000 1.002 199 G HN 0.127 nan 8.290 nan 0.000 0.574 200 L N 1.204 122.421 121.223 -0.008 0.000 2.410 200 L HA 0.757 5.097 4.340 -0.000 0.000 0.270 200 L C 0.874 177.756 176.870 0.021 0.000 0.983 200 L CA 0.518 55.325 54.840 -0.056 0.000 0.822 200 L CB 1.505 43.559 42.059 -0.008 0.000 1.285 200 L HN 1.601 nan 8.230 nan 0.000 0.409 201 G N 2.925 111.732 108.800 0.012 0.000 2.503 201 G HA2 0.516 4.476 3.960 -0.000 0.000 0.257 201 G HA3 0.516 4.476 3.960 -0.000 0.000 0.257 201 G C -0.306 174.705 174.900 0.187 0.000 1.214 201 G CA -0.118 45.024 45.100 0.071 0.000 0.839 201 G HN 1.017 nan 8.290 nan 0.000 0.559 202 A N 2.237 125.134 122.820 0.127 0.000 2.567 202 A HA 0.500 4.820 4.320 -0.000 0.000 0.240 202 A C 0.571 178.248 177.584 0.155 0.000 1.053 202 A CA 0.438 52.527 52.037 0.087 0.000 0.755 202 A CB -0.309 18.705 19.000 0.022 0.000 0.978 202 A HN 1.242 nan 8.150 nan 0.000 0.507 203 H N -0.128 118.863 119.070 -0.131 0.000 2.918 203 H HA 0.768 5.324 4.556 -0.000 0.000 0.303 203 H C -0.813 174.412 175.328 -0.173 0.000 1.380 203 H CA -0.176 55.815 56.048 -0.095 0.000 1.134 203 H CB 0.662 30.413 29.762 -0.019 0.000 1.842 203 H HN 0.772 nan 8.280 nan 0.000 0.533 204 T N -1.109 113.402 114.554 -0.073 0.000 2.907 204 T HA 0.422 4.772 4.350 -0.000 0.000 0.292 204 T C -0.587 174.269 174.700 0.261 0.000 1.043 204 T CA -0.839 61.263 62.100 0.003 0.000 1.003 204 T CB 2.597 71.493 68.868 0.046 0.000 1.084 204 T HN 0.553 nan 8.240 nan 0.000 0.483 205 D N 0.463 121.100 120.400 0.395 0.000 2.560 205 D HA 0.401 5.041 4.640 -0.000 0.000 0.277 205 D C -0.066 176.401 176.300 0.277 0.000 1.194 205 D CA -0.552 53.709 54.000 0.434 0.000 1.092 205 D CB 0.723 41.841 40.800 0.530 0.000 1.169 205 D HN 0.716 nan 8.370 nan 0.000 0.607 206 S N -0.553 115.293 115.700 0.244 0.000 3.697 206 S HA 0.040 4.510 4.470 -0.000 0.000 0.388 206 S C 0.313 175.019 174.600 0.177 0.000 0.941 206 S CA 0.599 58.903 58.200 0.173 0.000 1.247 206 S CB -1.517 61.772 63.200 0.147 0.000 0.904 206 S HN 1.043 nan 8.310 nan 0.000 0.518 207 G N -0.842 108.063 108.800 0.175 0.000 2.692 207 G HA2 0.407 4.366 3.960 -0.000 0.000 0.686 207 G HA3 0.407 4.366 3.960 -0.000 0.000 0.686 207 G C 0.099 175.048 174.900 0.082 0.000 1.243 207 G CA 0.119 45.292 45.100 0.122 0.000 0.782 207 G HN 1.553 nan 8.290 nan 0.000 0.625 208 A N 0.282 123.161 122.820 0.098 0.000 1.878 208 A HA 0.694 5.013 4.320 -0.000 0.000 0.188 208 A C 2.161 179.913 177.584 0.281 0.000 2.104 208 A CA 1.359 53.486 52.037 0.151 0.000 1.140 208 A CB -0.638 18.433 19.000 0.119 0.000 1.057 208 A HN 1.922 nan 8.150 nan 0.000 0.646 209 L N 1.425 122.815 121.223 0.278 0.000 2.131 209 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 209 L C 2.296 179.397 176.870 0.386 0.000 1.092 209 L CA 2.683 57.740 54.840 0.362 0.000 0.759 209 L CB -0.609 41.636 42.059 0.310 0.000 0.903 209 L HN 0.610 nan 8.230 nan 0.000 0.435 210 E N -0.905 119.396 120.200 0.169 0.000 2.333 210 E HA -0.232 4.117 4.350 -0.000 0.000 0.198 210 E C 1.845 178.546 176.600 0.168 0.000 1.007 210 E CA 0.590 57.001 56.400 0.019 0.000 0.845 210 E CB -0.517 28.947 29.700 -0.393 0.000 0.766 210 E HN 0.517 nan 8.360 nan 0.000 0.507 211 R N 0.226 120.708 120.500 -0.030 0.000 2.096 211 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 211 R C 2.003 178.221 176.300 -0.137 0.000 1.127 211 R CA 1.149 56.977 56.100 -0.452 0.000 0.968 211 R CB -0.269 29.558 30.300 -0.789 0.000 0.861 211 R HN 0.451 nan 8.270 nan 0.000 0.440 212 W N 0.239 121.593 121.300 0.091 0.000 2.580 212 W HA 0.120 4.780 4.660 -0.000 0.000 0.287 212 W C 1.947 178.533 176.519 0.112 0.000 1.175 212 W CA 0.190 57.584 57.345 0.082 0.000 1.409 212 W CB -0.248 29.239 29.460 0.044 0.000 1.101 212 W HN -0.006 nan 8.180 nan 0.000 0.558 213 L N 0.017 121.482 121.223 0.404 0.000 2.446 213 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 213 L C 0.681 177.686 176.870 0.226 0.000 1.116 213 L CA 0.079 55.115 54.840 0.326 0.000 0.844 213 L CB -0.573 41.715 42.059 0.382 0.000 0.970 213 L HN -0.222 nan 8.230 nan 0.000 0.457 214 L N 0.992 122.353 121.223 0.231 0.000 2.331 214 L HA 0.186 4.526 4.340 -0.000 0.000 0.278 214 L C -1.364 175.542 176.870 0.060 0.000 1.106 214 L CA -1.459 53.470 54.840 0.148 0.000 0.824 214 L CB 0.782 42.919 42.059 0.130 0.000 1.142 214 L HN -0.230 nan 8.230 nan 0.000 0.443 215 P HA -0.182 nan 4.420 nan 0.000 0.215 215 P C 1.249 178.490 177.300 -0.098 0.000 1.157 215 P CA 1.919 64.964 63.100 -0.092 0.000 0.868 215 P CB 0.143 31.783 31.700 -0.101 0.000 0.788 216 A N -1.518 121.219 122.820 -0.137 0.000 1.940 216 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 216 A C 2.070 179.514 177.584 -0.233 0.000 1.176 216 A CA 1.640 53.533 52.037 -0.240 0.000 0.631 216 A CB -1.949 16.858 19.000 -0.321 0.000 0.814 216 A HN 0.138 nan 8.150 nan 0.000 0.446 217 Y N -0.195 120.078 120.300 -0.044 0.000 2.373 217 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 217 Y C 2.677 178.696 175.900 0.198 0.000 1.129 217 Y CA 1.216 59.347 58.100 0.051 0.000 1.226 217 Y CB -0.145 38.424 38.460 0.181 0.000 1.000 217 Y HN 0.310 nan 8.280 nan 0.000 0.549 218 Q N 0.033 119.993 119.800 0.266 0.000 2.119 218 Q HA -0.169 4.171 4.340 -0.000 0.000 0.201 218 Q C 2.058 178.168 176.000 0.184 0.000 0.972 218 Q CA 1.124 57.086 55.803 0.264 0.000 0.847 218 Q CB -0.206 28.561 28.738 0.048 0.000 0.903 218 Q HN 0.547 nan 8.270 nan 0.000 0.433 219 Q N -0.136 119.653 119.800 -0.018 0.000 1.993 219 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 219 Q C 2.338 178.307 176.000 -0.052 0.000 0.984 219 Q CA 1.243 56.942 55.803 -0.173 0.000 0.837 219 Q CB -0.482 27.887 28.738 -0.615 0.000 0.902 219 Q HN 0.220 nan 8.270 nan 0.000 0.423 220 V N 0.412 120.256 119.914 -0.117 0.000 2.282 220 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 220 V C 1.681 177.626 176.094 -0.247 0.000 1.057 220 V CA 1.806 63.945 62.300 -0.267 0.000 1.032 220 V CB -0.555 30.928 31.823 -0.567 0.000 0.645 220 V HN 0.246 nan 8.190 nan 0.000 0.447 221 F N -0.456 119.581 119.950 0.146 0.000 2.730 221 F HA 0.512 5.039 4.527 -0.000 0.000 0.295 221 F C 1.819 177.587 175.800 -0.054 0.000 1.143 221 F CA 0.231 58.178 58.000 -0.087 0.000 1.367 221 F CB -0.434 38.290 39.000 -0.460 0.000 0.970 221 F HN 0.022 nan 8.300 nan 0.000 0.514 222 A N 0.007 122.969 122.820 0.237 0.000 1.884 222 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 222 A C 2.452 180.143 177.584 0.179 0.000 1.197 222 A CA 2.504 54.685 52.037 0.240 0.000 0.637 222 A CB -1.059 18.047 19.000 0.178 0.000 0.827 222 A HN 0.327 nan 8.150 nan 0.000 0.450 223 S N -1.002 114.790 115.700 0.153 0.000 2.419 223 S HA -0.109 4.360 4.470 -0.000 0.000 0.235 223 S C 1.804 176.429 174.600 0.041 0.000 1.019 223 S CA 1.333 59.610 58.200 0.127 0.000 0.982 223 S CB -0.393 62.922 63.200 0.191 0.000 0.789 223 S HN 0.373 nan 8.310 nan 0.000 0.490 224 V N 0.284 120.135 119.914 -0.105 0.000 2.302 224 V HA -0.026 4.094 4.120 -0.000 0.000 0.243 224 V C 1.530 177.515 176.094 -0.182 0.000 1.036 224 V CA 1.341 63.454 62.300 -0.312 0.000 1.020 224 V CB -0.623 30.750 31.823 -0.749 0.000 0.657 224 V HN 0.430 nan 8.190 nan 0.000 0.453 225 F N 2.093 122.077 119.950 0.057 0.000 2.805 225 F HA 0.048 4.575 4.527 -0.000 0.000 0.301 225 F C 1.601 177.447 175.800 0.077 0.000 1.196 225 F CA 0.635 58.681 58.000 0.076 0.000 1.439 225 F CB -0.872 38.206 39.000 0.130 0.000 1.117 225 F HN 0.511 nan 8.300 nan 0.000 0.581 226 N N -1.396 117.425 118.700 0.202 0.000 2.143 226 N HA 0.217 4.957 4.740 -0.000 0.000 0.222 226 N C 1.357 176.927 175.510 0.099 0.000 1.264 226 N CA 0.662 53.800 53.050 0.146 0.000 0.897 226 N CB 0.523 39.095 38.487 0.141 0.000 1.092 226 N HN 0.152 nan 8.380 nan 0.000 0.516 227 G N 0.710 109.558 108.800 0.080 0.000 2.258 227 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.233 227 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.233 227 G C -0.179 174.753 174.900 0.053 0.000 1.006 227 G CA 0.015 45.152 45.100 0.061 0.000 0.620 227 G HN 0.490 nan 8.290 nan 0.000 0.511 228 N N 1.064 119.802 118.700 0.063 0.000 3.210 228 N HA 0.357 5.097 4.740 -0.000 0.000 0.314 228 N C 1.464 177.017 175.510 0.072 0.000 1.291 228 N CA 0.176 53.265 53.050 0.066 0.000 1.202 228 N CB 1.142 39.674 38.487 0.075 0.000 1.475 228 N HN 0.202 nan 8.380 nan 0.000 0.554 229 V N 1.458 121.404 119.914 0.054 0.000 2.392 229 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 229 V C 2.273 178.427 176.094 0.099 0.000 1.059 229 V CA 1.762 64.092 62.300 0.051 0.000 1.051 229 V CB -0.209 31.622 31.823 0.013 0.000 0.658 229 V HN 0.597 nan 8.190 nan 0.000 0.455 230 E N -1.075 119.169 120.200 0.073 0.000 2.268 230 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 230 E C 1.732 178.376 176.600 0.072 0.000 0.995 230 E CA 0.742 57.182 56.400 0.067 0.000 0.836 230 E CB -0.429 29.296 29.700 0.042 0.000 0.763 230 E HN 0.574 nan 8.360 nan 0.000 0.491 231 Q N 0.161 120.012 119.800 0.085 0.000 2.365 231 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 231 Q C -0.369 175.693 176.000 0.102 0.000 0.929 231 Q CA -0.158 55.691 55.803 0.077 0.000 0.948 231 Q CB -0.177 28.606 28.738 0.075 0.000 1.043 231 Q HN 0.381 nan 8.270 nan 0.000 0.505 232 Y N 1.356 121.662 120.300 0.010 0.000 2.335 232 Y HA 0.140 4.690 4.550 -0.000 0.000 0.331 232 Y C -0.613 175.280 175.900 -0.012 0.000 1.094 232 Y CA -0.623 57.478 58.100 0.003 0.000 1.253 232 Y CB 0.704 39.164 38.460 0.001 0.000 1.203 232 Y HN -0.137 nan 8.280 nan 0.000 0.508 233 D N 8.177 128.059 120.400 -0.864 0.000 2.471 233 D HA 0.344 4.984 4.640 -0.000 0.000 0.245 233 D C -2.273 173.433 176.300 -0.990 0.000 1.116 233 D CA -2.674 50.919 54.000 -0.679 0.000 0.853 233 D CB 2.106 42.740 40.800 -0.277 0.000 1.123 233 D HN 0.289 nan 8.370 nan 0.000 0.540 234 P HA -0.050 nan 4.420 nan 0.000 0.218 234 P C 0.442 177.134 177.300 -1.014 0.000 1.146 234 P CA 1.016 63.559 63.100 -0.929 0.000 0.813 234 P CB 0.065 31.081 31.700 -1.139 0.000 0.778 235 W N -1.082 119.849 121.300 -0.615 0.000 3.316 235 W HA 0.199 4.859 4.660 -0.000 0.000 0.327 235 W C 0.409 176.756 176.519 -0.286 0.000 1.232 235 W CA -0.493 56.376 57.345 -0.793 0.000 1.805 235 W CB -0.819 28.283 29.460 -0.597 0.000 1.090 235 W HN -0.105 nan 8.180 nan 0.000 0.654 236 N N 0.813 119.501 118.700 -0.020 0.000 2.408 236 N HA 0.306 5.046 4.740 -0.000 0.000 0.257 236 N C 1.136 176.763 175.510 0.195 0.000 1.064 236 N CA 0.014 53.103 53.050 0.065 0.000 0.952 236 N CB 1.062 39.470 38.487 -0.133 0.000 1.093 236 N HN 0.031 nan 8.380 nan 0.000 0.490 237 A N 3.357 126.312 122.820 0.225 0.000 2.119 237 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 237 A C 1.024 178.156 177.584 -0.755 0.000 1.152 237 A CA 0.287 52.304 52.037 -0.034 0.000 0.708 237 A CB -0.376 18.677 19.000 0.087 0.000 0.805 237 A HN 0.778 nan 8.150 nan 0.000 0.460 238 A N 0.607 122.878 122.820 -0.916 0.000 2.568 238 A HA 0.114 4.434 4.320 -0.000 0.000 0.273 238 A C 0.922 177.690 177.584 -1.360 0.000 0.978 238 A CA 1.167 52.333 52.037 -1.451 0.000 0.946 238 A CB -0.755 17.621 19.000 -1.040 0.000 0.842 238 A HN 0.875 nan 8.150 nan 0.000 0.484 239 H N 1.073 119.116 119.070 -1.712 0.000 4.123 239 H HA -0.182 4.374 4.556 -0.000 0.000 0.146 239 H C 1.561 176.379 175.328 -0.849 0.000 0.800 239 H CA 1.475 56.911 56.048 -1.020 0.000 1.256 239 H CB -1.011 28.428 29.762 -0.539 0.000 0.848 239 H HN 0.862 nan 8.280 nan 0.000 0.462 240 R N 0.396 120.377 120.500 -0.865 0.000 2.139 240 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 240 R C 2.198 177.961 176.300 -0.895 0.000 1.145 240 R CA 1.838 57.396 56.100 -0.903 0.000 0.976 240 R CB -0.614 28.914 30.300 -1.287 0.000 0.866 240 R HN 0.564 nan 8.270 nan 0.000 0.449 241 T N -0.553 113.519 114.554 -0.803 0.000 3.129 241 T HA -0.000 4.350 4.350 -0.000 0.000 0.251 241 T C 0.963 175.533 174.700 -0.217 0.000 1.117 241 T CA 0.412 62.254 62.100 -0.430 0.000 1.034 241 T CB 0.082 68.834 68.868 -0.194 0.000 0.968 241 T HN 0.040 nan 8.240 nan 0.000 0.526 242 D N 1.257 121.500 120.400 -0.263 0.000 2.354 242 D HA 0.100 4.740 4.640 -0.000 0.000 0.209 242 D C 1.043 177.225 176.300 -0.197 0.000 1.015 242 D CA 0.213 54.126 54.000 -0.146 0.000 0.867 242 D CB 0.710 41.462 40.800 -0.080 0.000 0.933 242 D HN 0.494 nan 8.370 nan 0.000 0.520 243 V N 0.493 120.217 119.914 -0.317 0.000 2.811 243 V HA 0.212 4.332 4.120 -0.000 0.000 0.302 243 V C -0.366 175.618 176.094 -0.184 0.000 1.063 243 V CA 0.001 62.102 62.300 -0.332 0.000 1.088 243 V CB 1.397 32.855 31.823 -0.609 0.000 0.982 243 V HN -0.089 nan 8.190 nan 0.000 0.485 244 E N 3.838 123.958 120.200 -0.133 0.000 2.302 244 E HA 0.344 4.694 4.350 -0.000 0.000 0.263 244 E C -0.809 175.745 176.600 -0.077 0.000 0.897 244 E CA -0.402 55.953 56.400 -0.074 0.000 0.809 244 E CB 1.808 31.491 29.700 -0.029 0.000 1.270 244 E HN 0.891 nan 8.360 nan 0.000 0.410 245 E N 1.632 121.789 120.200 -0.072 0.000 2.418 245 E HA 0.026 4.376 4.350 -0.000 0.000 0.261 245 E C -0.322 176.274 176.600 -0.005 0.000 1.070 245 E CA 0.313 56.659 56.400 -0.091 0.000 0.931 245 E CB 0.552 30.236 29.700 -0.026 0.000 0.954 245 E HN 0.377 nan 8.360 nan 0.000 0.439 246 Y N 0.756 121.099 120.300 0.072 0.000 2.597 246 Y HA 0.000 4.550 4.550 -0.000 0.000 0.336 246 Y C 1.278 177.204 175.900 0.044 0.000 1.216 246 Y CA -0.440 57.694 58.100 0.056 0.000 1.463 246 Y CB 0.505 39.002 38.460 0.061 0.000 1.303 246 Y HN 0.365 nan 8.280 nan 0.000 0.576 247 T N 1.141 115.812 114.554 0.196 0.000 2.767 247 T HA 0.620 4.969 4.350 -0.000 0.000 0.284 247 T C -0.846 173.909 174.700 0.092 0.000 0.973 247 T CA -0.734 61.431 62.100 0.109 0.000 0.996 247 T CB 0.689 69.598 68.868 0.067 0.000 0.927 247 T HN 0.359 nan 8.240 nan 0.000 0.456 248 V N 3.756 123.719 119.914 0.082 0.000 2.555 248 V HA 0.336 4.456 4.120 -0.000 0.000 0.302 248 V C 0.219 176.342 176.094 0.050 0.000 1.038 248 V CA -1.050 61.289 62.300 0.065 0.000 0.887 248 V CB 1.530 33.401 31.823 0.080 0.000 0.991 248 V HN 1.074 nan 8.190 nan 0.000 0.434 249 D N 4.283 124.706 120.400 0.039 0.000 2.793 249 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 249 D C 1.243 177.566 176.300 0.038 0.000 1.139 249 D CA 1.696 55.716 54.000 0.033 0.000 0.838 249 D CB -0.265 40.552 40.800 0.027 0.000 1.149 249 D HN 0.784 nan 8.370 nan 0.000 0.526 250 N N 1.852 120.573 118.700 0.035 0.000 2.765 250 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 250 N C -0.777 174.762 175.510 0.049 0.000 1.063 250 N CA 0.905 53.978 53.050 0.040 0.000 0.862 250 N CB -0.567 37.944 38.487 0.041 0.000 1.145 250 N HN 0.404 nan 8.380 nan 0.000 0.581 251 T N 0.888 115.471 114.554 0.048 0.000 2.856 251 T HA 0.145 4.495 4.350 -0.000 0.000 0.292 251 T C 0.185 174.884 174.700 -0.002 0.000 0.980 251 T CA -0.002 62.134 62.100 0.060 0.000 1.091 251 T CB 1.416 70.344 68.868 0.100 0.000 0.936 251 T HN 0.021 nan 8.240 nan 0.000 0.503 252 T N 5.218 119.732 114.554 -0.067 0.000 2.849 252 T HA 0.101 4.451 4.350 -0.000 0.000 0.289 252 T C 0.446 174.924 174.700 -0.370 0.000 1.010 252 T CA 0.564 62.485 62.100 -0.300 0.000 1.161 252 T CB -0.223 68.315 68.868 -0.550 0.000 0.989 252 T HN 0.649 nan 8.240 nan 0.000 0.523 253 K N 1.036 121.234 120.400 -0.336 0.000 2.439 253 K HA 0.753 5.073 4.320 -0.000 0.000 0.260 253 K C -1.319 175.101 176.600 -0.300 0.000 1.032 253 K CA -1.139 55.014 56.287 -0.224 0.000 0.882 253 K CB 1.400 33.845 32.500 -0.091 0.000 1.420 253 K HN 0.452 nan 8.250 nan 0.000 0.455 254 C N 2.199 121.385 119.300 -0.190 0.000 2.386 254 C HA 0.438 4.897 4.460 -0.000 0.000 0.318 254 C C 0.103 174.962 174.990 -0.218 0.000 1.128 254 C CA -0.315 58.572 59.018 -0.218 0.000 1.438 254 C CB -0.334 27.315 27.740 -0.151 0.000 1.987 254 C HN 0.778 nan 8.230 nan 0.000 0.426 255 S N 3.987 119.498 115.700 -0.314 0.000 2.945 255 S HA 0.572 5.042 4.470 -0.000 0.000 0.227 255 S C -0.313 174.113 174.600 -0.290 0.000 1.353 255 S CA -0.403 57.640 58.200 -0.261 0.000 1.236 255 S CB -0.174 62.895 63.200 -0.219 0.000 1.069 255 S HN 0.751 nan 8.310 nan 0.000 0.509 256 V N 1.296 121.054 119.914 -0.260 0.000 3.167 256 V HA 0.428 4.548 4.120 -0.000 0.000 0.293 256 V C -1.628 174.366 176.094 -0.167 0.000 1.379 256 V CA -1.111 61.046 62.300 -0.238 0.000 1.019 256 V CB 2.415 33.984 31.823 -0.423 0.000 1.115 256 V HN 0.667 nan 8.190 nan 0.000 0.442 257 F N 4.758 124.540 119.950 -0.280 0.000 2.405 257 F HA 0.673 5.200 4.527 -0.000 0.000 0.355 257 F C 0.315 175.887 175.800 -0.379 0.000 1.121 257 F CA -0.279 57.533 58.000 -0.313 0.000 1.112 257 F CB 0.593 39.416 39.000 -0.296 0.000 1.126 257 F HN 0.368 nan 8.300 nan 0.000 0.481 258 R N 4.320 124.230 120.500 -0.983 0.000 2.393 258 R HA 0.201 4.541 4.340 -0.000 0.000 0.315 258 R C 0.956 176.524 176.300 -1.219 0.000 0.952 258 R CA -0.065 55.478 56.100 -0.928 0.000 0.842 258 R CB 1.737 31.720 30.300 -0.529 0.000 1.163 258 R HN 0.850 nan 8.270 nan 0.000 0.450 259 T N 0.104 113.951 114.554 -1.179 0.000 2.737 259 T HA 0.002 4.351 4.350 -0.000 0.000 0.265 259 T C 0.461 174.945 174.700 -0.360 0.000 1.038 259 T CA 1.066 62.625 62.100 -0.900 0.000 1.144 259 T CB -0.014 68.498 68.868 -0.593 0.000 0.866 259 T HN 0.260 nan 8.240 nan 0.000 0.434 260 F N 1.189 121.001 119.950 -0.230 0.000 2.565 260 F HA 0.541 5.068 4.527 -0.000 0.000 0.313 260 F C 0.046 175.692 175.800 -0.258 0.000 1.091 260 F CA -1.212 56.722 58.000 -0.110 0.000 0.915 260 F CB 2.218 41.314 39.000 0.159 0.000 1.208 260 F HN -0.049 nan 8.300 nan 0.000 0.453 261 Q N 0.791 120.331 119.800 -0.434 0.000 2.221 261 Q HA 0.789 5.129 4.340 -0.000 0.000 0.242 261 Q C -0.026 175.414 176.000 -0.933 0.000 0.940 261 Q CA -0.750 54.619 55.803 -0.724 0.000 0.896 261 Q CB 2.111 30.172 28.738 -1.128 0.000 1.226 261 Q HN 0.901 nan 8.270 nan 0.000 0.463 262 G N 0.197 108.504 108.800 -0.823 0.000 2.550 262 G HA2 0.542 4.502 3.960 -0.000 0.000 0.293 262 G HA3 0.542 4.502 3.960 -0.000 0.000 0.293 262 G C -2.087 172.483 174.900 -0.550 0.000 1.402 262 G CA -0.823 43.651 45.100 -1.042 0.000 0.784 262 G HN 0.625 nan 8.290 nan 0.000 0.482 263 W N -0.968 120.098 121.300 -0.389 0.000 3.047 263 W HA 0.716 5.376 4.660 -0.000 0.000 0.341 263 W C -1.176 175.169 176.519 -0.289 0.000 1.225 263 W CA -1.144 56.042 57.345 -0.265 0.000 1.150 263 W CB 1.098 30.475 29.460 -0.140 0.000 1.470 263 W HN 0.587 nan 8.180 nan 0.000 0.578 264 T N 1.742 116.424 114.554 0.214 0.000 2.794 264 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 264 T C 0.099 174.913 174.700 0.189 0.000 0.987 264 T CA -0.304 61.913 62.100 0.195 0.000 0.993 264 T CB 1.408 70.288 68.868 0.020 0.000 0.939 264 T HN 0.565 nan 8.240 nan 0.000 0.449 265 A N 3.310 126.289 122.820 0.265 0.000 2.409 265 A HA 0.436 4.755 4.320 -0.000 0.000 0.267 265 A C 1.040 178.633 177.584 0.015 0.000 1.127 265 A CA -0.404 51.692 52.037 0.099 0.000 0.795 265 A CB -0.181 18.934 19.000 0.192 0.000 1.061 265 A HN 1.000 nan 8.150 nan 0.000 0.502 266 L N 2.162 123.336 121.223 -0.081 0.000 2.567 266 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 266 L C 0.986 177.811 176.870 -0.075 0.000 1.119 266 L CA 0.710 55.509 54.840 -0.069 0.000 0.871 266 L CB -0.181 41.801 42.059 -0.128 0.000 1.036 266 L HN 0.850 nan 8.230 nan 0.000 0.459 267 S N -2.831 112.835 115.700 -0.056 0.000 2.618 267 S HA 0.397 4.867 4.470 -0.000 0.000 0.277 267 S C -1.004 173.604 174.600 0.013 0.000 1.138 267 S CA -1.082 57.102 58.200 -0.026 0.000 0.844 267 S CB 2.123 65.332 63.200 0.016 0.000 1.127 267 S HN -0.093 nan 8.310 nan 0.000 0.474 268 D N 1.957 122.377 120.400 0.033 0.000 2.414 268 D HA 0.244 4.884 4.640 -0.000 0.000 0.242 268 D C -0.204 176.122 176.300 0.042 0.000 1.129 268 D CA 0.452 54.477 54.000 0.041 0.000 0.885 268 D CB 0.438 41.262 40.800 0.040 0.000 1.198 268 D HN 0.501 nan 8.370 nan 0.000 0.437 269 M N 2.759 122.382 119.600 0.039 0.000 2.066 269 M HA 0.306 4.786 4.480 -0.000 0.000 0.340 269 M C -0.444 175.871 176.300 0.026 0.000 1.053 269 M CA -0.575 54.744 55.300 0.031 0.000 0.983 269 M CB 0.807 33.434 32.600 0.044 0.000 1.520 269 M HN 0.065 nan 8.290 nan 0.000 0.428 270 L N 5.529 126.766 121.223 0.023 0.000 2.357 270 L HA 0.509 4.849 4.340 -0.000 0.000 0.273 270 L C -1.858 175.022 176.870 0.016 0.000 1.080 270 L CA -1.962 52.889 54.840 0.019 0.000 0.803 270 L CB 0.589 42.659 42.059 0.019 0.000 1.174 270 L HN 0.382 nan 8.230 nan 0.000 0.443 271 P HA -0.002 nan 4.420 nan 0.000 0.264 271 P C 0.772 178.087 177.300 0.025 0.000 1.193 271 P CA 0.754 63.862 63.100 0.013 0.000 0.763 271 P CB 0.904 32.611 31.700 0.011 0.000 0.810 272 G N 2.788 111.612 108.800 0.040 0.000 2.176 272 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.253 272 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.253 272 G C 0.496 175.424 174.900 0.048 0.000 0.979 272 G CA -0.266 44.866 45.100 0.053 0.000 0.641 272 G HN 0.522 nan 8.290 nan 0.000 0.530 273 Q N 0.470 120.293 119.800 0.038 0.000 2.642 273 Q HA 0.452 4.791 4.340 -0.000 0.000 0.319 273 Q C 1.306 177.326 176.000 0.033 0.000 1.030 273 Q CA 0.316 56.134 55.803 0.024 0.000 0.943 273 Q CB -0.178 28.565 28.738 0.009 0.000 1.323 273 Q HN 1.658 nan 8.270 nan 0.000 0.419 274 G N 0.839 109.674 108.800 0.059 0.000 2.353 274 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.294 274 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.294 274 G C -0.513 174.450 174.900 0.104 0.000 1.077 274 G CA -0.349 44.793 45.100 0.070 0.000 1.098 274 G HN 0.262 nan 8.290 nan 0.000 0.511 275 L N -0.051 121.271 121.223 0.165 0.000 2.379 275 L HA 0.642 4.982 4.340 -0.000 0.000 0.269 275 L C 0.948 177.997 176.870 0.299 0.000 1.084 275 L CA -1.312 53.632 54.840 0.173 0.000 0.802 275 L CB 1.268 43.383 42.059 0.095 0.000 1.175 275 L HN 0.384 nan 8.230 nan 0.000 0.448 276 L N 3.318 124.716 121.223 0.292 0.000 2.628 276 L HA 0.008 4.348 4.340 -0.000 0.000 0.274 276 L C -0.530 176.517 176.870 0.294 0.000 1.209 276 L CA 0.958 55.999 54.840 0.335 0.000 0.930 276 L CB -0.445 41.861 42.059 0.411 0.000 1.183 276 L HN 0.483 nan 8.230 nan 0.000 0.492 277 H N 2.842 122.011 119.070 0.165 0.000 2.670 277 H HA 0.811 5.367 4.556 -0.000 0.000 0.361 277 H C -0.740 174.688 175.328 0.166 0.000 1.169 277 H CA -0.665 55.501 56.048 0.198 0.000 1.198 277 H CB 1.929 31.770 29.762 0.132 0.000 1.700 277 H HN 0.453 nan 8.280 nan 0.000 0.542 278 V N 1.533 121.627 119.914 0.301 0.000 3.049 278 V HA 0.260 4.380 4.120 -0.000 0.000 0.309 278 V C -0.899 175.210 176.094 0.024 0.000 1.148 278 V CA -0.858 61.492 62.300 0.083 0.000 0.990 278 V CB 2.810 34.609 31.823 -0.040 0.000 1.039 278 V HN 0.526 nan 8.190 nan 0.000 0.430 279 V N 6.172 126.065 119.914 -0.035 0.000 2.284 279 V HA 0.284 4.403 4.120 -0.000 0.000 0.260 279 V C -1.920 174.115 176.094 -0.099 0.000 1.084 279 V CA -1.266 61.001 62.300 -0.056 0.000 0.894 279 V CB 1.242 33.027 31.823 -0.065 0.000 1.119 279 V HN 0.771 nan 8.190 nan 0.000 0.484 280 P HA 0.238 nan 4.420 nan 0.000 0.231 280 P C -0.287 176.951 177.300 -0.103 0.000 1.756 280 P CA 0.398 63.396 63.100 -0.171 0.000 0.990 280 P CB -0.240 31.322 31.700 -0.230 0.000 1.973 281 I N 2.708 123.222 120.570 -0.093 0.000 2.714 281 I HA 0.173 4.343 4.170 -0.000 0.000 0.274 281 I C -1.628 174.423 176.117 -0.110 0.000 1.261 281 I CA -2.028 59.221 61.300 -0.085 0.000 1.008 281 I CB 2.494 40.441 38.000 -0.087 0.000 1.289 281 I HN -0.155 nan 8.210 nan 0.000 0.529 282 P HA -0.153 nan 4.420 nan 0.000 0.221 282 P C 0.793 177.953 177.300 -0.234 0.000 1.145 282 P CA 1.403 64.319 63.100 -0.306 0.000 0.795 282 P CB 0.295 31.601 31.700 -0.656 0.000 0.775 283 E N 0.263 120.385 120.200 -0.130 0.000 2.418 283 E HA 0.019 4.369 4.350 -0.000 0.000 0.197 283 E C 2.155 178.736 176.600 -0.030 0.000 1.026 283 E CA 0.747 57.144 56.400 -0.004 0.000 0.862 283 E CB -0.864 28.853 29.700 0.029 0.000 0.799 283 E HN 0.183 nan 8.360 nan 0.000 0.518 284 A N 1.279 124.055 122.820 -0.074 0.000 1.997 284 A HA -0.313 4.006 4.320 -0.000 0.000 0.221 284 A C 2.125 179.664 177.584 -0.075 0.000 1.172 284 A CA 1.896 53.880 52.037 -0.088 0.000 0.645 284 A CB -0.562 18.362 19.000 -0.127 0.000 0.813 284 A HN 0.292 nan 8.150 nan 0.000 0.454 285 M N 0.272 119.802 119.600 -0.116 0.000 2.143 285 M HA -0.205 4.275 4.480 -0.000 0.000 0.258 285 M C 2.085 178.162 176.300 -0.371 0.000 1.071 285 M CA 1.628 56.785 55.300 -0.238 0.000 1.088 285 M CB -0.908 31.560 32.600 -0.221 0.000 1.360 285 M HN 0.460 nan 8.290 nan 0.000 0.404 286 A N -1.136 121.488 122.820 -0.326 0.000 1.892 286 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 286 A C 2.179 179.702 177.584 -0.103 0.000 1.188 286 A CA 2.081 53.913 52.037 -0.341 0.000 0.631 286 A CB -1.457 17.404 19.000 -0.231 0.000 0.822 286 A HN 0.688 nan 8.150 nan 0.000 0.447 287 Y N 0.559 120.799 120.300 -0.100 0.000 2.145 287 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 287 Y C 2.056 178.065 175.900 0.183 0.000 1.145 287 Y CA 1.803 59.957 58.100 0.090 0.000 1.148 287 Y CB -0.301 38.182 38.460 0.038 0.000 0.981 287 Y HN 0.287 nan 8.280 nan 0.000 0.507 288 I N -0.792 119.953 120.570 0.293 0.000 2.208 288 I HA -0.336 3.833 4.170 -0.000 0.000 0.245 288 I C 1.990 178.240 176.117 0.221 0.000 1.097 288 I CA 0.918 62.345 61.300 0.213 0.000 1.363 288 I CB -0.523 37.455 38.000 -0.036 0.000 1.051 288 I HN 0.242 nan 8.210 nan 0.000 0.413 289 L N -0.279 120.910 121.223 -0.056 0.000 2.072 289 L HA -0.141 4.198 4.340 -0.000 0.000 0.205 289 L C 2.239 179.277 176.870 0.281 0.000 1.079 289 L CA 1.749 56.532 54.840 -0.095 0.000 0.752 289 L CB -0.974 40.711 42.059 -0.623 0.000 0.906 289 L HN 0.188 nan 8.230 nan 0.000 0.436 290 L N -1.314 119.994 121.223 0.142 0.000 2.240 290 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 290 L C 2.574 179.446 176.870 0.003 0.000 1.106 290 L CA 1.009 55.935 54.840 0.144 0.000 0.793 290 L CB -0.902 41.266 42.059 0.181 0.000 0.927 290 L HN 0.183 nan 8.230 nan 0.000 0.446 291 R N 0.213 120.705 120.500 -0.014 0.000 2.096 291 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 291 R C -0.474 175.656 176.300 -0.284 0.000 1.139 291 R CA 1.904 57.842 56.100 -0.269 0.000 0.952 291 R CB -1.514 28.751 30.300 -0.058 0.000 0.854 291 R HN 0.330 nan 8.270 nan 0.000 0.436 292 P HA -0.035 nan 4.420 nan 0.000 0.233 292 P C 0.944 178.082 177.300 -0.269 0.000 1.167 292 P CA 0.532 63.429 63.100 -0.337 0.000 0.770 292 P CB 0.039 31.471 31.700 -0.446 0.000 0.837 293 L N -1.782 119.336 121.223 -0.174 0.000 2.376 293 L HA -0.017 4.323 4.340 -0.000 0.000 0.219 293 L C 1.022 177.792 176.870 -0.166 0.000 1.133 293 L CA 0.927 55.685 54.840 -0.136 0.000 0.816 293 L CB -1.264 40.772 42.059 -0.038 0.000 0.933 293 L HN -0.036 nan 8.230 nan 0.000 0.449 294 L N -0.000 121.080 121.223 -0.239 0.000 2.476 294 L HA 0.021 4.361 4.340 -0.000 0.000 0.264 294 L C 1.253 178.024 176.870 -0.165 0.000 1.224 294 L CA 0.476 55.173 54.840 -0.238 0.000 0.821 294 L CB 0.039 41.873 42.059 -0.376 0.000 1.101 294 L HN 0.271 nan 8.230 nan 0.000 0.488 295 D N -1.702 118.627 120.400 -0.120 0.000 2.339 295 D HA -0.070 4.570 4.640 -0.000 0.000 0.217 295 D C 0.685 176.952 176.300 -0.055 0.000 1.050 295 D CA 0.235 54.185 54.000 -0.083 0.000 0.856 295 D CB -0.248 40.514 40.800 -0.063 0.000 0.922 295 D HN 0.585 nan 8.370 nan 0.000 0.518 296 D N 0.482 120.858 120.400 -0.040 0.000 2.350 296 D HA -0.069 4.571 4.640 -0.000 0.000 0.213 296 D C 0.734 177.073 176.300 0.064 0.000 1.031 296 D CA -0.235 53.776 54.000 0.017 0.000 0.861 296 D CB -0.069 40.757 40.800 0.043 0.000 0.926 296 D HN 0.207 nan 8.370 nan 0.000 0.520 297 V N 0.522 120.424 119.914 -0.020 0.000 2.481 297 V HA 0.436 4.556 4.120 -0.000 0.000 0.286 297 V C -2.631 173.393 176.094 -0.116 0.000 1.042 297 V CA -1.824 60.418 62.300 -0.096 0.000 0.928 297 V CB 1.349 32.935 31.823 -0.394 0.000 0.986 297 V HN -0.243 nan 8.190 nan 0.000 0.462 298 P HA 0.096 nan 4.420 nan 0.000 0.265 298 P C 0.579 177.798 177.300 -0.135 0.000 1.187 298 P CA 0.169 63.216 63.100 -0.088 0.000 0.766 298 P CB 0.488 32.148 31.700 -0.067 0.000 0.820 299 E N 1.764 121.897 120.200 -0.112 0.000 2.153 299 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 299 E C 0.614 177.127 176.600 -0.145 0.000 0.988 299 E CA 1.416 57.741 56.400 -0.124 0.000 0.811 299 E CB -0.299 29.345 29.700 -0.094 0.000 0.746 299 E HN 0.595 nan 8.360 nan 0.000 0.466 300 D N -0.187 120.132 120.400 -0.134 0.000 2.463 300 D HA 0.118 4.758 4.640 -0.000 0.000 0.224 300 D C -0.017 176.180 176.300 -0.172 0.000 1.174 300 D CA -0.095 53.823 54.000 -0.138 0.000 0.829 300 D CB -0.094 40.646 40.800 -0.100 0.000 0.993 300 D HN -0.015 nan 8.370 nan 0.000 0.497 301 E N -0.014 120.052 120.200 -0.225 0.000 2.288 301 E HA 0.485 4.835 4.350 -0.000 0.000 0.268 301 E C -0.505 175.848 176.600 -0.411 0.000 0.885 301 E CA -0.814 55.420 56.400 -0.276 0.000 0.767 301 E CB 2.439 31.991 29.700 -0.248 0.000 1.220 301 E HN 0.002 nan 8.360 nan 0.000 0.427 302 L N 2.169 123.121 121.223 -0.451 0.000 2.999 302 L HA 0.250 4.590 4.340 -0.000 0.000 0.263 302 L C -0.553 176.000 176.870 -0.529 0.000 1.320 302 L CA -0.565 53.911 54.840 -0.606 0.000 0.913 302 L CB 0.315 41.906 42.059 -0.780 0.000 1.296 302 L HN 0.751 nan 8.230 nan 0.000 0.546 303 C N 0.664 119.543 119.300 -0.701 0.000 4.028 303 C HA -0.167 4.292 4.460 -0.000 0.000 0.300 303 C C 1.673 176.460 174.990 -0.338 0.000 1.399 303 C CA 0.537 58.977 59.018 -0.964 0.000 2.051 303 C CB -2.532 24.521 27.740 -1.145 0.000 1.318 303 C HN 1.111 nan 8.230 nan 0.000 0.696 304 G N -2.442 106.247 108.800 -0.184 0.000 2.254 304 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.225 304 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.225 304 G C 0.084 174.957 174.900 -0.045 0.000 1.003 304 G CA -0.016 45.066 45.100 -0.030 0.000 0.622 304 G HN 1.344 nan 8.290 nan 0.000 0.507 305 V N 1.738 121.602 119.914 -0.084 0.000 2.644 305 V HA 0.378 4.498 4.120 -0.000 0.000 0.305 305 V C 0.839 176.897 176.094 -0.060 0.000 1.053 305 V CA 1.176 63.444 62.300 -0.053 0.000 1.186 305 V CB 0.934 32.715 31.823 -0.070 0.000 0.895 305 V HN 1.583 nan 8.190 nan 0.000 0.490 306 A N 7.253 130.055 122.820 -0.031 0.000 2.486 306 A HA 0.827 5.147 4.320 -0.000 0.000 0.300 306 A C -2.933 174.654 177.584 0.004 0.000 1.048 306 A CA -1.903 50.119 52.037 -0.025 0.000 0.696 306 A CB 1.881 20.863 19.000 -0.030 0.000 1.278 306 A HN 0.624 nan 8.150 nan 0.000 0.405 307 P HA 0.273 nan 4.420 nan 0.000 0.265 307 P C 0.999 178.333 177.300 0.055 0.000 1.187 307 P CA 2.138 65.277 63.100 0.065 0.000 0.766 307 P CB 0.583 32.301 31.700 0.031 0.000 0.820 308 G N 1.737 110.597 108.800 0.101 0.000 2.198 308 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 308 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 308 G C -0.009 174.920 174.900 0.048 0.000 1.025 308 G CA -0.188 44.982 45.100 0.116 0.000 0.769 308 G HN 0.619 nan 8.290 nan 0.000 0.507 309 R N -1.230 119.217 120.500 -0.089 0.000 2.584 309 R HA 0.511 4.850 4.340 -0.000 0.000 0.276 309 R C 0.018 175.983 176.300 -0.558 0.000 1.046 309 R CA -0.825 55.064 56.100 -0.351 0.000 0.906 309 R CB 2.354 32.546 30.300 -0.181 0.000 1.215 309 R HN 0.245 nan 8.270 nan 0.000 0.449 310 V N 3.960 123.195 119.914 -1.132 0.000 2.901 310 V HA 0.001 4.121 4.120 -0.000 0.000 0.307 310 V C 0.266 176.218 176.094 -0.236 0.000 1.084 310 V CA 0.194 62.012 62.300 -0.803 0.000 1.184 310 V CB 0.645 31.963 31.823 -0.841 0.000 0.941 310 V HN 0.607 nan 8.190 nan 0.000 0.493 311 L N 9.333 130.532 121.223 -0.040 0.000 2.369 311 L HA 0.426 4.765 4.340 -0.000 0.000 0.279 311 L C -2.075 174.851 176.870 0.093 0.000 1.108 311 L CA -1.370 53.504 54.840 0.056 0.000 0.852 311 L CB 1.177 43.297 42.059 0.102 0.000 1.169 311 L HN 0.546 nan 8.230 nan 0.000 0.452 312 P HA 0.256 nan 4.420 nan 0.000 0.284 312 P C -1.108 176.303 177.300 0.186 0.000 1.253 312 P CA -0.369 62.817 63.100 0.145 0.000 0.800 312 P CB 1.692 33.474 31.700 0.136 0.000 0.961 313 I N 2.324 122.992 120.570 0.165 0.000 2.433 313 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 313 I C 0.620 176.901 176.117 0.274 0.000 1.001 313 I CA -0.436 60.975 61.300 0.185 0.000 1.119 313 I CB 1.580 39.566 38.000 -0.022 0.000 1.289 313 I HN 0.452 nan 8.210 nan 0.000 0.438 314 S N 3.322 119.288 115.700 0.443 0.000 2.595 314 S HA 0.490 4.960 4.470 -0.000 0.000 0.281 314 S C 0.379 175.106 174.600 0.211 0.000 1.117 314 S CA -0.717 57.638 58.200 0.258 0.000 0.873 314 S CB 2.445 65.785 63.200 0.233 0.000 1.108 314 S HN 0.497 nan 8.310 nan 0.000 0.477 315 E N 0.880 121.139 120.200 0.098 0.000 2.160 315 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 315 E C 1.893 178.480 176.600 -0.021 0.000 0.991 315 E CA 1.489 57.919 56.400 0.051 0.000 0.810 315 E CB -0.145 29.563 29.700 0.014 0.000 0.742 315 E HN 0.724 nan 8.360 nan 0.000 0.466 316 Q N -0.949 118.781 119.800 -0.116 0.000 2.061 316 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 316 Q C 1.250 176.944 176.000 -0.512 0.000 0.984 316 Q CA 1.731 57.308 55.803 -0.377 0.000 0.846 316 Q CB -0.084 28.327 28.738 -0.546 0.000 0.902 316 Q HN 0.468 nan 8.270 nan 0.000 0.421 317 W N -1.680 119.543 121.300 -0.128 0.000 2.808 317 W HA 0.091 4.751 4.660 -0.000 0.000 0.266 317 W C 0.273 176.548 176.519 -0.407 0.000 1.247 317 W CA -0.110 57.017 57.345 -0.364 0.000 1.440 317 W CB 0.615 29.718 29.460 -0.596 0.000 1.040 317 W HN 0.200 nan 8.180 nan 0.000 0.606 318 H N -0.880 118.431 119.070 0.402 0.000 2.535 318 H HA 0.155 4.711 4.556 -0.000 0.000 0.232 318 H C -1.880 173.561 175.328 0.189 0.000 1.405 318 H CA -1.506 54.791 56.048 0.414 0.000 1.224 318 H CB 0.062 30.016 29.762 0.321 0.000 1.763 318 H HN -0.193 nan 8.280 nan 0.000 0.529 319 P HA -0.209 nan 4.420 nan 0.000 0.216 319 P C 1.678 179.023 177.300 0.074 0.000 1.150 319 P CA 0.703 63.877 63.100 0.124 0.000 0.837 319 P CB 0.650 32.410 31.700 0.101 0.000 0.786 320 L N -0.622 120.640 121.223 0.066 0.000 2.046 320 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 320 L C 2.527 179.309 176.870 -0.147 0.000 1.077 320 L CA 1.642 56.452 54.840 -0.050 0.000 0.747 320 L CB -1.443 40.572 42.059 -0.075 0.000 0.896 320 L HN -0.166 nan 8.230 nan 0.000 0.432 321 L N -1.913 119.166 121.223 -0.240 0.000 2.056 321 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 321 L C 2.498 179.324 176.870 -0.073 0.000 1.078 321 L CA 0.749 55.461 54.840 -0.213 0.000 0.749 321 L CB -0.662 41.235 42.059 -0.270 0.000 0.901 321 L HN 0.259 nan 8.230 nan 0.000 0.433 322 M N 0.149 119.746 119.600 -0.006 0.000 2.149 322 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 322 M C 2.504 178.813 176.300 0.014 0.000 1.064 322 M CA 1.809 57.121 55.300 0.021 0.000 1.102 322 M CB -1.406 31.225 32.600 0.052 0.000 1.369 322 M HN 0.287 nan 8.290 nan 0.000 0.408 323 A N -0.395 122.427 122.820 0.004 0.000 2.186 323 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 323 A C 2.103 179.691 177.584 0.007 0.000 1.159 323 A CA 1.696 53.737 52.037 0.007 0.000 0.680 323 A CB -0.626 18.375 19.000 0.002 0.000 0.787 323 A HN 0.502 nan 8.150 nan 0.000 0.467 324 A N -1.152 121.664 122.820 -0.006 0.000 2.390 324 A HA 0.514 4.834 4.320 -0.000 0.000 0.232 324 A C 0.607 178.207 177.584 0.026 0.000 1.233 324 A CA -0.428 51.606 52.037 -0.005 0.000 0.907 324 A CB -0.121 18.851 19.000 -0.046 0.000 0.967 324 A HN 0.358 nan 8.150 nan 0.000 0.512 325 L N 1.686 122.942 121.223 0.055 0.000 2.540 325 L HA 0.195 4.535 4.340 -0.000 0.000 0.276 325 L C 0.790 177.773 176.870 0.188 0.000 1.212 325 L CA 0.649 55.562 54.840 0.123 0.000 0.893 325 L CB 0.750 42.890 42.059 0.136 0.000 1.138 325 L HN 0.383 nan 8.230 nan 0.000 0.491 326 T N 0.883 115.563 114.554 0.211 0.000 2.912 326 T HA 0.327 4.677 4.350 -0.000 0.000 0.299 326 T C -0.395 174.383 174.700 0.131 0.000 1.052 326 T CA -0.676 61.536 62.100 0.187 0.000 0.996 326 T CB 1.857 70.819 68.868 0.157 0.000 1.070 326 T HN 0.459 nan 8.240 nan 0.000 0.465 327 S N 2.640 118.237 115.700 -0.173 0.000 2.580 327 S HA 0.477 4.947 4.470 -0.000 0.000 0.274 327 S C 0.891 175.402 174.600 -0.148 0.000 1.329 327 S CA -0.935 56.955 58.200 -0.516 0.000 1.036 327 S CB -0.503 62.378 63.200 -0.532 0.000 0.919 327 S HN 0.795 nan 8.310 nan 0.000 0.515 328 I N 2.545 122.873 120.570 -0.405 0.000 2.948 328 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 328 I C -2.001 173.833 176.117 -0.471 0.000 1.226 328 I CA -1.568 59.173 61.300 -0.932 0.000 1.413 328 I CB -0.289 37.272 38.000 -0.732 0.000 1.352 328 I HN 0.403 nan 8.210 nan 0.000 0.597 329 P HA 0.287 nan 4.420 nan 0.000 0.274 329 P C -2.617 174.604 177.300 -0.131 0.000 1.260 329 P CA -1.251 61.745 63.100 -0.173 0.000 0.793 329 P CB -0.613 31.020 31.700 -0.112 0.000 1.048 330 P HA 0.258 nan 4.420 nan 0.000 0.272 330 P C -0.718 176.572 177.300 -0.016 0.000 1.223 330 P CA 0.172 63.255 63.100 -0.029 0.000 0.784 330 P CB 0.263 31.959 31.700 -0.007 0.000 0.923 331 L N 1.467 122.697 121.223 0.011 0.000 2.370 331 L HA 0.400 4.740 4.340 -0.000 0.000 0.266 331 L C 0.442 177.341 176.870 0.049 0.000 1.002 331 L CA -0.507 54.355 54.840 0.037 0.000 0.818 331 L CB 1.440 43.545 42.059 0.078 0.000 1.325 331 L HN 0.332 nan 8.230 nan 0.000 0.418 332 E N 0.690 120.925 120.200 0.057 0.000 2.283 332 E HA 0.606 4.956 4.350 -0.000 0.000 0.271 332 E C -0.594 176.048 176.600 0.070 0.000 1.031 332 E CA -0.816 55.617 56.400 0.054 0.000 0.868 332 E CB 1.635 31.366 29.700 0.051 0.000 1.094 332 E HN 0.709 nan 8.360 nan 0.000 0.401 333 A N 1.057 123.907 122.820 0.051 0.000 2.531 333 A HA 0.380 4.699 4.320 -0.000 0.000 0.236 333 A C 1.130 178.762 177.584 0.080 0.000 1.062 333 A CA 0.944 53.012 52.037 0.051 0.000 0.760 333 A CB -0.253 18.753 19.000 0.009 0.000 0.995 333 A HN 0.821 nan 8.150 nan 0.000 0.501 334 G N 1.820 110.695 108.800 0.125 0.000 2.284 334 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.230 334 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.230 334 G C 0.143 175.214 174.900 0.286 0.000 1.021 334 G CA 0.335 45.560 45.100 0.208 0.000 0.619 334 G HN 0.822 nan 8.290 nan 0.000 0.510 335 D N 1.009 121.540 120.400 0.218 0.000 2.335 335 D HA 0.504 5.144 4.640 -0.000 0.000 0.236 335 D C 0.895 177.373 176.300 0.297 0.000 1.297 335 D CA 1.382 55.523 54.000 0.235 0.000 0.906 335 D CB 1.140 42.038 40.800 0.163 0.000 1.164 335 D HN 1.002 nan 8.370 nan 0.000 0.469 336 S N -1.675 114.197 115.700 0.286 0.000 2.537 336 S HA 0.614 5.084 4.470 -0.000 0.000 0.270 336 S C -0.873 173.715 174.600 -0.019 0.000 1.142 336 S CA -0.948 57.374 58.200 0.204 0.000 0.870 336 S CB 1.270 64.770 63.200 0.501 0.000 1.112 336 S HN 0.419 nan 8.310 nan 0.000 0.466 337 V N -0.916 118.678 119.914 -0.533 0.000 2.823 337 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 337 V C -1.775 173.906 176.094 -0.688 0.000 1.072 337 V CA -0.850 61.173 62.300 -0.462 0.000 0.937 337 V CB 1.043 32.483 31.823 -0.638 0.000 1.013 337 V HN 1.000 nan 8.190 nan 0.000 0.430 338 W N 3.043 124.522 121.300 0.298 0.000 2.998 338 W HA 0.789 5.449 4.660 -0.000 0.000 0.335 338 W C -1.179 175.701 176.519 0.602 0.000 1.110 338 W CA -0.354 57.156 57.345 0.276 0.000 1.230 338 W CB 1.748 31.253 29.460 0.076 0.000 1.405 338 W HN 0.979 nan 8.180 nan 0.000 0.493 339 W N 2.325 123.968 121.300 0.573 0.000 3.022 339 W HA 0.509 5.169 4.660 -0.000 0.000 0.335 339 W C -0.471 176.184 176.519 0.227 0.000 1.133 339 W CA -1.326 56.245 57.345 0.377 0.000 1.219 339 W CB 0.548 30.073 29.460 0.107 0.000 1.409 339 W HN 0.440 nan 8.180 nan 0.000 0.507 340 H N 2.753 121.795 119.070 -0.046 0.000 2.972 340 H HA -0.043 4.513 4.556 -0.000 0.000 0.343 340 H C 1.413 176.653 175.328 -0.148 0.000 1.054 340 H CA 1.467 57.218 56.048 -0.495 0.000 1.412 340 H CB 1.339 30.754 29.762 -0.578 0.000 1.385 340 H HN 0.987 nan 8.280 nan 0.000 0.600 341 C N 2.646 121.570 119.300 -0.627 0.000 2.430 341 C HA -0.027 4.433 4.460 -0.000 0.000 0.288 341 C C 1.067 176.085 174.990 0.048 0.000 1.448 341 C CA 0.329 59.198 59.018 -0.248 0.000 1.784 341 C CB -0.534 27.021 27.740 -0.308 0.000 1.776 341 C HN 0.664 nan 8.230 nan 0.000 0.547 342 D N 0.451 120.975 120.400 0.206 0.000 2.402 342 D HA 0.250 4.889 4.640 -0.000 0.000 0.216 342 D C 0.235 176.679 176.300 0.241 0.000 1.128 342 D CA 0.163 54.333 54.000 0.283 0.000 0.833 342 D CB 0.553 41.569 40.800 0.361 0.000 0.971 342 D HN 0.343 nan 8.370 nan 0.000 0.503 343 V N 1.816 121.924 119.914 0.325 0.000 2.465 343 V HA 0.205 4.325 4.120 -0.000 0.000 0.279 343 V C 0.755 176.975 176.094 0.210 0.000 1.045 343 V CA -0.721 61.718 62.300 0.233 0.000 0.938 343 V CB 1.479 33.467 31.823 0.275 0.000 0.986 343 V HN 0.016 nan 8.190 nan 0.000 0.467 344 I N 7.102 127.694 120.570 0.037 0.000 2.648 344 I HA 0.251 4.421 4.170 -0.000 0.000 0.284 344 I C 0.366 176.431 176.117 -0.086 0.000 1.153 344 I CA 0.398 61.650 61.300 -0.081 0.000 1.426 344 I CB 0.015 37.952 38.000 -0.104 0.000 1.381 344 I HN 0.797 nan 8.210 nan 0.000 0.571 345 H N 3.327 122.216 119.070 -0.302 0.000 3.017 345 H HA 0.750 5.306 4.556 -0.000 0.000 0.346 345 H C -1.391 173.830 175.328 -0.179 0.000 1.286 345 H CA -0.973 54.889 56.048 -0.309 0.000 1.120 345 H CB 1.672 31.055 29.762 -0.630 0.000 1.860 345 H HN 0.566 nan 8.280 nan 0.000 0.542 346 S N 0.204 115.950 115.700 0.078 0.000 2.615 346 S HA 0.566 5.036 4.470 -0.000 0.000 0.269 346 S C -1.499 173.224 174.600 0.205 0.000 1.161 346 S CA -0.799 57.490 58.200 0.147 0.000 0.817 346 S CB 1.785 65.022 63.200 0.062 0.000 1.131 346 S HN 0.492 nan 8.310 nan 0.000 0.467 347 V N 1.597 121.613 119.914 0.171 0.000 2.407 347 V HA 0.761 4.881 4.120 -0.000 0.000 0.291 347 V C 0.768 176.906 176.094 0.074 0.000 1.018 347 V CA -0.344 62.058 62.300 0.170 0.000 0.842 347 V CB 0.787 32.714 31.823 0.173 0.000 0.996 347 V HN 1.303 nan 8.190 nan 0.000 0.426 348 A N 8.465 131.319 122.820 0.056 0.000 2.547 348 A HA 0.480 4.799 4.320 -0.000 0.000 0.233 348 A C -2.045 175.546 177.584 0.011 0.000 1.067 348 A CA -0.476 51.540 52.037 -0.035 0.000 0.763 348 A CB -0.225 18.786 19.000 0.017 0.000 1.007 348 A HN 0.628 nan 8.150 nan 0.000 0.506 349 P HA 0.407 nan 4.420 nan 0.000 0.277 349 P C -0.854 176.453 177.300 0.011 0.000 1.240 349 P CA -0.176 62.925 63.100 0.002 0.000 0.798 349 P CB 1.047 32.743 31.700 -0.007 0.000 0.979 350 V N -0.393 119.524 119.914 0.006 0.000 2.680 350 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 350 V C 0.026 176.114 176.094 -0.009 0.000 1.052 350 V CA -0.876 61.425 62.300 0.001 0.000 0.908 350 V CB 1.992 33.811 31.823 -0.007 0.000 1.001 350 V HN 0.413 nan 8.190 nan 0.000 0.431 351 E N 2.245 122.439 120.200 -0.009 0.000 2.156 351 E HA 0.328 4.678 4.350 -0.000 0.000 0.279 351 E C -0.416 176.170 176.600 -0.023 0.000 0.965 351 E CA -0.634 55.756 56.400 -0.016 0.000 0.789 351 E CB 1.194 30.887 29.700 -0.011 0.000 1.098 351 E HN 0.866 nan 8.360 nan 0.000 0.397 352 N N 3.250 121.930 118.700 -0.034 0.000 2.586 352 N HA -0.246 4.494 4.740 -0.000 0.000 0.282 352 N C -0.687 174.793 175.510 -0.049 0.000 1.171 352 N CA 0.518 53.541 53.050 -0.045 0.000 0.733 352 N CB -0.371 38.096 38.487 -0.035 0.000 0.910 352 N HN 0.541 nan 8.380 nan 0.000 0.548 353 Q N 1.547 121.307 119.800 -0.066 0.000 2.304 353 Q HA 0.132 4.472 4.340 -0.000 0.000 0.260 353 Q C -0.522 175.432 176.000 -0.077 0.000 0.965 353 Q CA -0.322 55.442 55.803 -0.065 0.000 0.898 353 Q CB 0.581 29.271 28.738 -0.080 0.000 1.196 353 Q HN 0.463 nan 8.270 nan 0.000 0.402 354 Q N 2.542 122.314 119.800 -0.047 0.000 2.296 354 Q HA 0.436 4.776 4.340 -0.000 0.000 0.262 354 Q C 0.203 176.182 176.000 -0.034 0.000 0.981 354 Q CA 1.256 57.035 55.803 -0.039 0.000 0.905 354 Q CB 1.384 30.114 28.738 -0.014 0.000 1.186 354 Q HN 0.962 nan 8.270 nan 0.000 0.399 355 G N 1.319 110.094 108.800 -0.041 0.000 2.752 355 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.234 355 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.234 355 G C -1.189 173.683 174.900 -0.046 0.000 1.367 355 G CA -0.586 44.527 45.100 0.022 0.000 0.879 355 G HN 0.544 nan 8.290 nan 0.000 0.563 356 W N -0.423 120.852 121.300 -0.042 0.000 2.303 356 W HA 0.564 5.224 4.660 -0.000 0.000 0.334 356 W C 0.937 177.406 176.519 -0.084 0.000 1.197 356 W CA 0.525 57.834 57.345 -0.061 0.000 1.262 356 W CB 1.526 30.946 29.460 -0.066 0.000 1.153 356 W HN 1.067 nan 8.180 nan 0.000 0.596 357 G N 2.471 111.344 108.800 0.122 0.000 4.928 357 G HA2 0.165 4.125 3.960 -0.000 0.000 0.321 357 G HA3 0.165 4.125 3.960 -0.000 0.000 0.321 357 G C -0.846 173.988 174.900 -0.109 0.000 1.455 357 G CA -0.634 44.453 45.100 -0.023 0.000 1.081 357 G HN 0.311 nan 8.290 nan 0.000 0.569 358 N N 0.863 119.507 118.700 -0.094 0.000 2.438 358 N HA 0.581 5.320 4.740 -0.000 0.000 0.282 358 N C -0.112 175.170 175.510 -0.379 0.000 1.037 358 N CA -0.433 52.495 53.050 -0.203 0.000 0.942 358 N CB 2.608 41.025 38.487 -0.118 0.000 1.136 358 N HN 0.346 nan 8.380 nan 0.000 0.481 359 V N -0.870 118.707 119.914 -0.562 0.000 3.078 359 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 359 V C -0.632 175.083 176.094 -0.631 0.000 1.138 359 V CA -1.047 60.843 62.300 -0.683 0.000 1.007 359 V CB 2.150 33.173 31.823 -1.333 0.000 1.045 359 V HN 0.481 nan 8.190 nan 0.000 0.432 360 M N 3.007 122.334 119.600 -0.455 0.000 2.268 360 M HA 0.547 5.027 4.480 -0.000 0.000 0.344 360 M C -1.514 174.623 176.300 -0.271 0.000 1.106 360 M CA -0.340 54.713 55.300 -0.412 0.000 1.010 360 M CB 1.963 34.355 32.600 -0.346 0.000 1.649 360 M HN 0.760 nan 8.290 nan 0.000 0.443 361 Y N 4.449 124.706 120.300 -0.072 0.000 2.436 361 Y HA 0.445 4.995 4.550 -0.000 0.000 0.343 361 Y C -0.220 175.691 175.900 0.019 0.000 1.008 361 Y CA -0.303 57.828 58.100 0.051 0.000 1.241 361 Y CB 0.239 38.754 38.460 0.091 0.000 1.153 361 Y HN 0.468 nan 8.280 nan 0.000 0.521 362 I N 6.624 127.290 120.570 0.159 0.000 2.497 362 I HA 0.316 4.486 4.170 -0.000 0.000 0.284 362 I C -2.609 173.597 176.117 0.148 0.000 1.060 362 I CA -2.135 59.247 61.300 0.138 0.000 1.071 362 I CB 2.011 40.071 38.000 0.100 0.000 1.216 362 I HN 0.342 nan 8.210 nan 0.000 0.442 363 P HA 0.437 nan 4.420 nan 0.000 0.284 363 P C -0.955 176.533 177.300 0.313 0.000 1.287 363 P CA -0.740 62.490 63.100 0.217 0.000 0.824 363 P CB 1.554 33.281 31.700 0.045 0.000 1.180 364 A N 0.455 123.432 122.820 0.261 0.000 2.294 364 A HA 0.604 4.924 4.320 -0.000 0.000 0.316 364 A C 0.024 177.509 177.584 -0.165 0.000 1.359 364 A CA -0.538 51.523 52.037 0.040 0.000 0.956 364 A CB -0.762 18.219 19.000 -0.032 0.000 1.155 364 A HN 0.534 nan 8.150 nan 0.000 0.544 365 A N 5.665 128.385 122.820 -0.168 0.000 2.483 365 A HA 0.721 5.041 4.320 -0.000 0.000 0.308 365 A C -2.805 174.646 177.584 -0.222 0.000 1.291 365 A CA -1.584 50.274 52.037 -0.298 0.000 0.774 365 A CB 0.669 19.514 19.000 -0.258 0.000 1.134 365 A HN 0.572 nan 8.150 nan 0.000 0.471 366 P HA 0.229 nan 4.420 nan 0.000 0.274 366 P C -0.143 177.111 177.300 -0.076 0.000 1.231 366 P CA -0.373 62.563 63.100 -0.274 0.000 0.790 366 P CB 0.648 31.907 31.700 -0.734 0.000 0.951 367 M N 3.978 123.603 119.600 0.041 0.000 2.238 367 M HA 0.271 4.751 4.480 -0.000 0.000 0.350 367 M C -0.353 176.037 176.300 0.150 0.000 1.321 367 M CA 0.369 55.721 55.300 0.087 0.000 1.097 367 M CB -1.189 31.457 32.600 0.077 0.000 1.713 367 M HN 0.657 nan 8.290 nan 0.000 0.455 368 C N 2.070 121.449 119.300 0.132 0.000 3.275 368 C HA 0.385 4.845 4.460 -0.000 0.000 0.340 368 C C 1.129 176.185 174.990 0.109 0.000 1.366 368 C CA -0.683 58.426 59.018 0.153 0.000 1.227 368 C CB 0.945 28.821 27.740 0.226 0.000 1.512 368 C HN 1.034 nan 8.230 nan 0.000 0.461 369 E N 1.128 121.385 120.200 0.095 0.000 2.118 369 E HA -0.254 4.095 4.350 -0.000 0.000 0.195 369 E C 1.905 178.551 176.600 0.076 0.000 0.992 369 E CA 1.944 58.387 56.400 0.072 0.000 0.804 369 E CB -0.052 29.683 29.700 0.058 0.000 0.741 369 E HN 0.669 nan 8.360 nan 0.000 0.458 370 K N 0.382 120.832 120.400 0.083 0.000 1.984 370 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 370 K C 1.865 178.524 176.600 0.098 0.000 1.046 370 K CA 1.674 58.006 56.287 0.075 0.000 0.934 370 K CB -0.196 32.334 32.500 0.051 0.000 0.717 370 K HN 0.175 nan 8.250 nan 0.000 0.438 371 N N 0.787 119.549 118.700 0.102 0.000 2.205 371 N HA -0.181 4.558 4.740 -0.000 0.000 0.186 371 N C 1.789 177.389 175.510 0.149 0.000 1.015 371 N CA 0.646 53.768 53.050 0.121 0.000 0.862 371 N CB -0.034 38.500 38.487 0.078 0.000 0.986 371 N HN 0.093 nan 8.380 nan 0.000 0.429 372 L N 1.156 122.445 121.223 0.110 0.000 2.109 372 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 372 L C 2.226 179.148 176.870 0.087 0.000 1.086 372 L CA 1.143 56.036 54.840 0.088 0.000 0.760 372 L CB -0.584 41.514 42.059 0.065 0.000 0.910 372 L HN 0.039 nan 8.230 nan 0.000 0.437 373 A N -0.986 121.892 122.820 0.098 0.000 1.892 373 A HA -0.338 3.981 4.320 -0.000 0.000 0.218 373 A C 2.344 179.999 177.584 0.119 0.000 1.188 373 A CA 2.194 54.287 52.037 0.093 0.000 0.631 373 A CB -1.362 17.695 19.000 0.094 0.000 0.822 373 A HN 0.647 nan 8.150 nan 0.000 0.447 374 Y N 0.276 120.605 120.300 0.048 0.000 2.145 374 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 374 Y C 2.726 178.671 175.900 0.074 0.000 1.145 374 Y CA 1.466 59.604 58.100 0.063 0.000 1.148 374 Y CB -0.365 38.148 38.460 0.089 0.000 0.981 374 Y HN 0.350 nan 8.280 nan 0.000 0.507 375 A N 0.937 123.777 122.820 0.035 0.000 1.927 375 A HA -0.273 4.046 4.320 -0.000 0.000 0.220 375 A C 2.257 179.797 177.584 -0.073 0.000 1.185 375 A CA 2.006 54.029 52.037 -0.023 0.000 0.639 375 A CB -0.693 18.342 19.000 0.058 0.000 0.820 375 A HN 0.461 nan 8.150 nan 0.000 0.451 376 R N -0.456 120.020 120.500 -0.041 0.000 2.127 376 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 376 R C 2.083 178.334 176.300 -0.081 0.000 1.134 376 R CA 1.744 57.819 56.100 -0.041 0.000 0.975 376 R CB -0.377 29.916 30.300 -0.013 0.000 0.865 376 R HN 0.606 nan 8.270 nan 0.000 0.447 377 K N -0.030 120.285 120.400 -0.142 0.000 2.103 377 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 377 K C 2.103 178.574 176.600 -0.215 0.000 1.052 377 K CA 0.694 56.876 56.287 -0.175 0.000 0.945 377 K CB 0.010 32.390 32.500 -0.200 0.000 0.722 377 K HN -0.079 nan 8.250 nan 0.000 0.443 378 V N 2.101 121.825 119.914 -0.317 0.000 2.287 378 V HA -0.315 3.804 4.120 -0.000 0.000 0.248 378 V C 2.354 178.424 176.094 -0.040 0.000 1.053 378 V CA 1.775 63.973 62.300 -0.169 0.000 1.027 378 V CB -0.419 31.311 31.823 -0.156 0.000 0.646 378 V HN 0.361 nan 8.190 nan 0.000 0.447 379 K N 0.167 120.532 120.400 -0.059 0.000 2.074 379 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 379 K C 2.162 178.698 176.600 -0.108 0.000 1.048 379 K CA 1.848 58.099 56.287 -0.061 0.000 0.926 379 K CB -0.337 32.140 32.500 -0.037 0.000 0.713 379 K HN 0.441 nan 8.250 nan 0.000 0.444 380 A N 1.119 123.881 122.820 -0.097 0.000 1.865 380 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 380 A C 2.377 179.875 177.584 -0.143 0.000 1.191 380 A CA 2.118 54.095 52.037 -0.100 0.000 0.623 380 A CB -0.895 18.062 19.000 -0.071 0.000 0.826 380 A HN 0.509 nan 8.150 nan 0.000 0.444 381 A N -0.261 122.481 122.820 -0.131 0.000 1.851 381 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 381 A C 2.149 179.413 177.584 -0.534 0.000 1.195 381 A CA 1.877 53.825 52.037 -0.149 0.000 0.622 381 A CB -0.918 18.138 19.000 0.094 0.000 0.831 381 A HN 1.011 nan 8.150 nan 0.000 0.444 382 L N 0.116 120.824 121.223 -0.859 0.000 2.151 382 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 382 L C 2.119 178.567 176.870 -0.704 0.000 1.084 382 L CA 2.677 56.723 54.840 -1.324 0.000 0.764 382 L CB -0.499 41.178 42.059 -0.638 0.000 0.891 382 L HN 0.577 nan 8.230 nan 0.000 0.435 383 E N -0.971 118.990 120.200 -0.399 0.000 2.016 383 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 383 E C 2.082 178.545 176.600 -0.229 0.000 0.985 383 E CA 1.813 58.066 56.400 -0.244 0.000 0.802 383 E CB -0.380 29.228 29.700 -0.153 0.000 0.762 383 E HN 0.750 nan 8.360 nan 0.000 0.448 384 T N -2.331 112.093 114.554 -0.217 0.000 2.951 384 T HA 0.053 4.403 4.350 -0.000 0.000 0.268 384 T C 1.606 176.204 174.700 -0.169 0.000 1.073 384 T CA 0.933 62.945 62.100 -0.146 0.000 1.134 384 T CB 0.048 68.859 68.868 -0.096 0.000 0.884 384 T HN 0.367 nan 8.240 nan 0.000 0.479 385 G N 1.225 109.812 108.800 -0.354 0.000 2.136 385 G HA2 0.014 3.974 3.960 -0.000 0.000 0.242 385 G HA3 0.014 3.974 3.960 -0.000 0.000 0.242 385 G C 0.266 175.206 174.900 0.067 0.000 0.989 385 G CA 0.054 44.940 45.100 -0.358 0.000 0.682 385 G HN 1.168 nan 8.290 nan 0.000 0.522 386 A N 0.032 122.888 122.820 0.061 0.000 2.346 386 A HA 0.733 5.053 4.320 -0.000 0.000 0.252 386 A C 1.070 178.826 177.584 0.286 0.000 1.089 386 A CA 0.751 52.876 52.037 0.146 0.000 0.797 386 A CB 0.329 19.358 19.000 0.049 0.000 1.047 386 A HN 1.272 nan 8.150 nan 0.000 0.494 387 S N 2.273 118.044 115.700 0.118 0.000 2.516 387 S HA 0.295 4.765 4.470 -0.000 0.000 0.282 387 S C -2.312 172.222 174.600 -0.110 0.000 1.286 387 S CA -0.487 57.646 58.200 -0.111 0.000 1.066 387 S CB -0.117 63.086 63.200 0.004 0.000 0.884 387 S HN 0.523 nan 8.310 nan 0.000 0.491 388 P HA 0.043 nan 4.420 nan 0.000 0.265 388 P C 1.278 178.588 177.300 0.015 0.000 1.187 388 P CA 0.116 63.178 63.100 -0.064 0.000 0.766 388 P CB 0.218 31.847 31.700 -0.118 0.000 0.820 389 G N 2.406 111.250 108.800 0.073 0.000 2.545 389 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.222 389 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.222 389 G C 0.996 175.887 174.900 -0.015 0.000 1.126 389 G CA 0.780 45.927 45.100 0.078 0.000 0.754 389 G HN 0.428 nan 8.290 nan 0.000 0.583 390 D N -0.466 119.853 120.400 -0.135 0.000 2.378 390 D HA 0.090 4.730 4.640 -0.000 0.000 0.222 390 D C 0.208 176.082 176.300 -0.710 0.000 0.980 390 D CA 0.374 54.068 54.000 -0.509 0.000 0.907 390 D CB -0.031 40.293 40.800 -0.794 0.000 0.899 390 D HN 0.348 nan 8.370 nan 0.000 0.527 391 F N -0.756 119.159 119.950 -0.058 0.000 2.546 391 F HA 0.370 4.897 4.527 -0.000 0.000 0.320 391 F C -1.921 173.873 175.800 -0.010 0.000 1.076 391 F CA -2.929 55.048 58.000 -0.040 0.000 0.928 391 F CB 1.576 40.556 39.000 -0.032 0.000 1.189 391 F HN -0.396 nan 8.300 nan 0.000 0.465 392 P HA -0.094 nan 4.420 nan 0.000 0.263 392 P C -0.824 176.548 177.300 0.119 0.000 1.162 392 P CA 0.344 63.530 63.100 0.144 0.000 0.758 392 P CB 0.323 32.121 31.700 0.165 0.000 0.773 393 R N 2.884 123.422 120.500 0.064 0.000 3.206 393 R HA 0.047 4.387 4.340 -0.000 0.000 0.209 393 R C 0.871 177.163 176.300 -0.014 0.000 1.632 393 R CA 0.251 56.368 56.100 0.029 0.000 1.234 393 R CB -0.459 29.850 30.300 0.016 0.000 1.270 393 R HN 0.532 nan 8.270 nan 0.000 0.665 394 E N 0.986 121.167 120.200 -0.030 0.000 2.099 394 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 394 E C -0.131 176.245 176.600 -0.373 0.000 0.962 394 E CA 0.078 56.333 56.400 -0.242 0.000 0.826 394 E CB 0.358 29.931 29.700 -0.212 0.000 0.788 394 E HN 0.398 nan 8.360 nan 0.000 0.461 395 D N -1.224 119.085 120.400 -0.152 0.000 2.800 395 D HA -0.200 4.440 4.640 -0.000 0.000 0.232 395 D C -0.118 176.114 176.300 -0.114 0.000 1.137 395 D CA 0.509 54.465 54.000 -0.073 0.000 0.718 395 D CB -1.621 39.151 40.800 -0.047 0.000 1.084 395 D HN 0.391 nan 8.370 nan 0.000 0.432 396 Y N 0.227 120.492 120.300 -0.057 0.000 2.181 396 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 396 Y C 2.284 177.768 175.900 -0.692 0.000 1.146 396 Y CA 1.278 59.244 58.100 -0.223 0.000 1.164 396 Y CB 0.036 38.360 38.460 -0.226 0.000 0.982 396 Y HN 0.168 nan 8.280 nan 0.000 0.515 397 E N -0.482 119.365 120.200 -0.589 0.000 2.482 397 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 397 E C 1.866 178.384 176.600 -0.138 0.000 1.047 397 E CA 0.991 56.981 56.400 -0.684 0.000 0.869 397 E CB -0.163 29.421 29.700 -0.193 0.000 0.836 397 E HN 0.539 nan 8.360 nan 0.000 0.520 398 T N -1.746 112.776 114.554 -0.054 0.000 2.946 398 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 398 T C 1.899 176.645 174.700 0.077 0.000 1.104 398 T CA 1.655 63.767 62.100 0.020 0.000 1.114 398 T CB -0.075 68.806 68.868 0.022 0.000 0.867 398 T HN 0.025 nan 8.240 nan 0.000 0.513 399 T N -1.052 113.588 114.554 0.143 0.000 2.955 399 T HA 0.234 4.584 4.350 -0.000 0.000 0.251 399 T C -0.174 174.748 174.700 0.370 0.000 1.002 399 T CA -0.716 61.526 62.100 0.238 0.000 0.970 399 T CB -0.094 68.925 68.868 0.252 0.000 1.091 399 T HN 0.369 nan 8.240 nan 0.000 0.495 400 W N 3.324 124.685 121.300 0.102 0.000 2.124 400 W HA 0.360 5.020 4.660 -0.000 0.000 0.356 400 W C 0.652 177.232 176.519 0.102 0.000 1.302 400 W CA -0.904 56.484 57.345 0.071 0.000 1.293 400 W CB 0.145 29.617 29.460 0.021 0.000 1.199 400 W HN 0.092 nan 8.180 nan 0.000 0.606 401 E N 0.011 120.376 120.200 0.276 0.000 2.222 401 E HA 0.395 4.745 4.350 -0.000 0.000 0.272 401 E C 0.653 177.439 176.600 0.309 0.000 0.982 401 E CA -0.062 56.463 56.400 0.209 0.000 0.842 401 E CB 1.313 31.067 29.700 0.091 0.000 1.144 401 E HN 0.622 nan 8.360 nan 0.000 0.397 402 G N 2.091 111.031 108.800 0.234 0.000 2.246 402 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.273 402 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.273 402 G C 0.317 175.348 174.900 0.218 0.000 1.055 402 G CA 0.706 45.934 45.100 0.214 0.000 0.851 402 G HN 0.358 nan 8.290 nan 0.000 0.500 403 R N -1.145 119.512 120.500 0.261 0.000 2.457 403 R HA 0.598 4.938 4.340 -0.000 0.000 0.284 403 R C 0.309 176.697 176.300 0.147 0.000 1.024 403 R CA -0.906 55.334 56.100 0.233 0.000 1.025 403 R CB 0.392 30.882 30.300 0.317 0.000 1.063 403 R HN 0.178 nan 8.270 nan 0.000 0.493 404 F N 2.652 122.609 119.950 0.012 0.000 2.529 404 F HA 0.107 4.634 4.527 -0.000 0.000 0.365 404 F C 0.213 176.014 175.800 0.001 0.000 1.102 404 F CA 0.586 58.594 58.000 0.014 0.000 1.271 404 F CB 0.705 39.727 39.000 0.036 0.000 1.120 404 F HN 0.559 nan 8.300 nan 0.000 0.579 405 T N 3.512 117.864 114.554 -0.337 0.000 2.807 405 T HA 0.306 4.656 4.350 -0.000 0.000 0.277 405 T C 0.612 175.166 174.700 -0.243 0.000 1.006 405 T CA -0.843 61.143 62.100 -0.190 0.000 1.006 405 T CB 1.088 69.859 68.868 -0.162 0.000 1.274 405 T HN 0.580 nan 8.240 nan 0.000 0.569 406 L N 1.073 122.226 121.223 -0.117 0.000 2.012 406 L HA 0.029 4.368 4.340 -0.000 0.000 0.210 406 L C 2.856 179.676 176.870 -0.084 0.000 1.073 406 L CA 2.169 56.975 54.840 -0.056 0.000 0.748 406 L CB -1.138 40.888 42.059 -0.055 0.000 0.891 406 L HN 0.888 nan 8.230 nan 0.000 0.431 407 R N -1.095 119.329 120.500 -0.126 0.000 2.293 407 R HA -0.084 4.256 4.340 -0.000 0.000 0.219 407 R C 0.875 177.078 176.300 -0.161 0.000 1.091 407 R CA 1.480 57.512 56.100 -0.113 0.000 1.004 407 R CB -0.756 29.486 30.300 -0.096 0.000 0.865 407 R HN 0.390 nan 8.270 nan 0.000 0.469 408 D N 0.497 120.695 120.400 -0.336 0.000 2.339 408 D HA 0.034 4.674 4.640 -0.000 0.000 0.217 408 D C -0.013 176.193 176.300 -0.157 0.000 1.050 408 D CA -0.025 53.706 54.000 -0.448 0.000 0.856 408 D CB 0.222 40.385 40.800 -1.062 0.000 0.922 408 D HN 0.108 nan 8.370 nan 0.000 0.518 409 L N 1.653 122.900 121.223 0.041 0.000 2.461 409 L HA 0.074 4.413 4.340 -0.000 0.000 0.272 409 L C 1.091 178.074 176.870 0.188 0.000 1.197 409 L CA 0.145 55.143 54.840 0.265 0.000 0.836 409 L CB -0.117 42.065 42.059 0.204 0.000 1.105 409 L HN -0.088 nan 8.230 nan 0.000 0.477 410 N N 1.386 120.218 118.700 0.220 0.000 2.262 410 N HA 0.020 4.760 4.740 -0.000 0.000 0.260 410 N C 1.054 176.645 175.510 0.134 0.000 1.305 410 N CA -0.844 52.309 53.050 0.173 0.000 0.913 410 N CB 0.666 39.275 38.487 0.202 0.000 1.116 410 N HN 0.448 nan 8.380 nan 0.000 0.512 411 I N 0.358 121.007 120.570 0.132 0.000 2.480 411 I HA -0.127 4.042 4.170 -0.000 0.000 0.251 411 I C 1.781 177.967 176.117 0.115 0.000 1.124 411 I CA 1.503 62.868 61.300 0.107 0.000 1.444 411 I CB -1.032 37.027 38.000 0.099 0.000 1.098 411 I HN 0.530 nan 8.210 nan 0.000 0.428 412 H N -0.142 118.979 119.070 0.084 0.000 2.547 412 H HA 0.057 4.612 4.556 -0.000 0.000 0.272 412 H C 2.095 177.476 175.328 0.087 0.000 0.989 412 H CA 1.117 57.215 56.048 0.084 0.000 1.214 412 H CB 0.125 29.941 29.762 0.089 0.000 1.389 412 H HN 0.296 nan 8.280 nan 0.000 0.577 413 G N -0.026 108.873 108.800 0.166 0.000 2.408 413 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.213 413 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.213 413 G C 1.465 176.414 174.900 0.081 0.000 1.177 413 G CA 0.066 45.246 45.100 0.134 0.000 0.802 413 G HN 0.281 nan 8.290 nan 0.000 0.533 414 K N -0.027 120.417 120.400 0.073 0.000 2.147 414 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 414 K C 2.608 179.210 176.600 0.004 0.000 1.049 414 K CA 0.773 57.087 56.287 0.044 0.000 0.936 414 K CB -0.055 32.470 32.500 0.043 0.000 0.722 414 K HN 0.125 nan 8.250 nan 0.000 0.446 415 R N 0.098 120.574 120.500 -0.041 0.000 2.100 415 R HA 0.036 4.376 4.340 -0.000 0.000 0.220 415 R C 2.231 178.472 176.300 -0.097 0.000 1.091 415 R CA 0.922 56.967 56.100 -0.091 0.000 0.986 415 R CB -0.068 30.127 30.300 -0.174 0.000 0.888 415 R HN 0.136 nan 8.270 nan 0.000 0.444 416 A N 0.502 123.255 122.820 -0.111 0.000 1.972 416 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 416 A C 1.774 179.370 177.584 0.020 0.000 1.169 416 A CA 1.065 53.080 52.037 -0.037 0.000 0.635 416 A CB -0.252 18.766 19.000 0.029 0.000 0.810 416 A HN 0.236 nan 8.150 nan 0.000 0.446 417 L N -0.664 120.573 121.223 0.023 0.000 2.611 417 L HA 0.226 4.566 4.340 -0.000 0.000 0.229 417 L C 1.166 178.046 176.870 0.015 0.000 1.137 417 L CA 0.211 55.069 54.840 0.030 0.000 0.901 417 L CB -0.378 41.705 42.059 0.040 0.000 1.098 417 L HN 0.514 nan 8.230 nan 0.000 0.456 418 G N 1.841 110.644 108.800 0.005 0.000 2.331 418 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.254 418 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.254 418 G C -0.415 174.488 174.900 0.004 0.000 0.879 418 G CA 0.181 45.283 45.100 0.003 0.000 1.287 418 G HN 0.295 nan 8.290 nan 0.000 0.383 419 I N 0.000 120.572 120.570 0.003 0.000 2.984 419 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 419 I CA 0.000 61.304 61.300 0.006 0.000 1.566 419 I CB 0.000 38.007 38.000 0.011 0.000 1.214 419 I HN 0.000 nan 8.210 nan 0.000 0.494