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 2prm_1_A DATA FIRST_RESID 30 DATA SEQUENCE MATGDERFYA EHLMPTLQGL LDPESAHRLA VRFTSLGLLP RARFQDSDML DATA SEQUENCE EVRVLGHKFR NPVGIAAGFD KHGEAVDGLY KMGFGFVEIG SVTPKPQEGN DATA SEQUENCE PRPRVFRLPE DQAVINRYGF NSHGLSVVEH RLRARQQKQA KLTEDGLPLG DATA SEQUENCE VNLGKNKTSV DAAEDYAEGV RVLGPLADYL VVNVSSPNTA GLRSLQGKAE DATA SEQUENCE LRRLLTKVLQ ERDGLRRVHR PAVLVKIAPD LTSQDKEDIA SVVKELGIDG DATA SEQUENCE LIVTNTTVSR PAGLQGALRS ETGGLSGKPL RDLSTQTIRE MYALTQGRVP DATA SEQUENCE IIGVGGVSSG QDALEKIRAG ASLVQLYTAL TFWGPPVVGK VKRELEALLK DATA SEQUENCE EQGFGGVTDA IGADHRR 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 30 M HA 0.000 nan 4.480 nan 0.000 0.227 30 M C 0.000 176.453 176.300 0.255 0.000 1.140 30 M CA 0.000 55.467 55.300 0.278 0.000 0.988 30 M CB 0.000 32.716 32.600 0.194 0.000 1.302 31 A N -0.211 122.698 122.820 0.149 0.000 2.014 31 A HA 0.152 4.472 4.320 0.000 0.000 0.210 31 A C 1.805 179.457 177.584 0.113 0.000 1.188 31 A CA 1.544 53.653 52.037 0.120 0.000 0.731 31 A CB -0.222 18.819 19.000 0.068 0.000 0.858 31 A HN 0.314 nan 8.150 nan 0.000 0.464 32 T N -0.718 113.901 114.554 0.108 0.000 2.937 32 T HA 0.336 4.686 4.350 0.000 0.000 0.260 32 T C 1.145 175.915 174.700 0.117 0.000 1.051 32 T CA 1.248 63.403 62.100 0.091 0.000 1.141 32 T CB -0.130 68.772 68.868 0.056 0.000 0.879 32 T HN 1.466 nan 8.240 nan 0.000 0.459 33 G N 2.641 111.555 108.800 0.190 0.000 2.638 33 G HA2 -0.146 3.814 3.960 0.000 0.000 0.269 33 G HA3 -0.146 3.814 3.960 0.000 0.000 0.269 33 G C -0.708 174.258 174.900 0.111 0.000 1.141 33 G CA -0.447 44.733 45.100 0.135 0.000 1.081 33 G HN 0.421 nan 8.290 nan 0.000 0.527 34 D N -0.070 120.478 120.400 0.247 0.000 2.198 34 D HA 0.269 4.909 4.640 0.000 0.000 0.245 34 D C 1.567 178.028 176.300 0.269 0.000 1.079 34 D CA -0.332 53.808 54.000 0.233 0.000 0.854 34 D CB 0.910 41.862 40.800 0.253 0.000 1.148 34 D HN 0.546 nan 8.370 nan 0.000 0.456 35 E N 2.694 122.996 120.200 0.171 0.000 2.031 35 E HA -0.198 4.153 4.350 0.000 0.000 0.193 35 E C 1.754 178.486 176.600 0.220 0.000 0.994 35 E CA 0.531 57.035 56.400 0.173 0.000 0.800 35 E CB 0.137 29.939 29.700 0.170 0.000 0.752 35 E HN 0.345 nan 8.360 nan 0.000 0.447 36 R N 0.166 120.789 120.500 0.204 0.000 2.193 36 R HA -0.142 4.198 4.340 0.000 0.000 0.229 36 R C 2.073 178.528 176.300 0.258 0.000 1.110 36 R CA 0.895 57.098 56.100 0.172 0.000 0.988 36 R CB -0.148 30.244 30.300 0.154 0.000 0.871 36 R HN 0.202 nan 8.270 nan 0.000 0.458 37 F N -0.138 119.937 119.950 0.207 0.000 2.118 37 F HA -0.081 4.447 4.527 0.000 0.000 0.293 37 F C 1.329 177.272 175.800 0.239 0.000 1.102 37 F CA 1.072 59.211 58.000 0.231 0.000 1.247 37 F CB -0.733 38.359 39.000 0.153 0.000 1.017 37 F HN -0.100 nan 8.300 nan 0.000 0.475 38 Y N 0.870 120.994 120.300 -0.293 0.000 2.165 38 Y HA -0.152 4.398 4.550 0.000 0.000 0.286 38 Y C 2.711 178.468 175.900 -0.238 0.000 1.155 38 Y CA 1.641 59.520 58.100 -0.369 0.000 1.164 38 Y CB -1.310 37.097 38.460 -0.089 0.000 0.978 38 Y HN 0.220 nan 8.280 nan 0.000 0.513 39 A N 0.152 122.982 122.820 0.016 0.000 1.851 39 A HA -0.241 4.079 4.320 0.000 0.000 0.216 39 A C 2.055 179.511 177.584 -0.214 0.000 1.195 39 A CA 2.231 54.179 52.037 -0.149 0.000 0.622 39 A CB -0.701 18.140 19.000 -0.264 0.000 0.831 39 A HN 0.525 nan 8.150 nan 0.000 0.444 40 E N -1.872 118.205 120.200 -0.207 0.000 2.122 40 E HA -0.020 4.330 4.350 0.000 0.000 0.190 40 E C 1.806 178.141 176.600 -0.442 0.000 0.977 40 E CA 1.239 57.426 56.400 -0.354 0.000 0.820 40 E CB -0.081 29.330 29.700 -0.482 0.000 0.770 40 E HN 0.849 nan 8.360 nan 0.000 0.462 41 H N -0.490 118.469 119.070 -0.185 0.000 2.320 41 H HA 0.099 4.656 4.556 0.000 0.000 0.318 41 H C 1.754 176.904 175.328 -0.297 0.000 1.098 41 H CA 0.314 56.255 56.048 -0.179 0.000 1.569 41 H CB -0.418 29.333 29.762 -0.017 0.000 1.506 41 H HN -0.037 nan 8.280 nan 0.000 0.632 42 L N 0.211 121.130 121.223 -0.506 0.000 2.012 42 L HA -0.142 4.198 4.340 0.000 0.000 0.210 42 L C 1.889 178.574 176.870 -0.308 0.000 1.073 42 L CA 1.766 56.304 54.840 -0.504 0.000 0.748 42 L CB -0.444 41.022 42.059 -0.989 0.000 0.891 42 L HN 0.232 nan 8.230 nan 0.000 0.431 43 M N -0.404 119.027 119.600 -0.282 0.000 2.132 43 M HA -0.026 4.455 4.480 0.000 0.000 0.263 43 M C -0.120 176.128 176.300 -0.087 0.000 1.065 43 M CA 1.486 56.708 55.300 -0.130 0.000 1.122 43 M CB -2.279 30.302 32.600 -0.032 0.000 1.365 43 M HN 0.173 nan 8.290 nan 0.000 0.411 44 P HA -0.054 nan 4.420 nan 0.000 0.225 44 P C 1.085 178.354 177.300 -0.052 0.000 1.148 44 P CA 1.224 64.288 63.100 -0.059 0.000 0.779 44 P CB -0.248 31.402 31.700 -0.084 0.000 0.780 45 T N -0.944 113.568 114.554 -0.069 0.000 2.939 45 T HA -0.013 4.337 4.350 0.000 0.000 0.254 45 T C 1.633 176.302 174.700 -0.053 0.000 1.041 45 T CA 0.264 62.333 62.100 -0.051 0.000 1.142 45 T CB -0.941 67.902 68.868 -0.042 0.000 0.874 45 T HN -0.001 nan 8.240 nan 0.000 0.452 46 L N 1.430 122.608 121.223 -0.075 0.000 2.021 46 L HA -0.206 4.134 4.340 0.000 0.000 0.215 46 L C 2.544 179.387 176.870 -0.045 0.000 1.074 46 L CA 1.867 56.665 54.840 -0.070 0.000 0.760 46 L CB -0.578 41.429 42.059 -0.086 0.000 0.889 46 L HN 0.246 nan 8.230 nan 0.000 0.433 47 Q N -0.993 118.783 119.800 -0.040 0.000 2.050 47 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 47 Q C 2.067 178.061 176.000 -0.010 0.000 0.980 47 Q CA 1.434 57.224 55.803 -0.022 0.000 0.840 47 Q CB -0.590 28.144 28.738 -0.007 0.000 0.898 47 Q HN 0.710 nan 8.270 nan 0.000 0.424 48 G N 0.230 109.022 108.800 -0.013 0.000 2.509 48 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 48 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 48 G C 1.264 176.160 174.900 -0.006 0.000 1.124 48 G CA 0.332 45.428 45.100 -0.007 0.000 0.776 48 G HN 0.163 nan 8.290 nan 0.000 0.547 49 L N -1.129 120.087 121.223 -0.012 0.000 2.537 49 L HA 0.454 4.794 4.340 0.000 0.000 0.224 49 L C 0.302 177.168 176.870 -0.007 0.000 1.065 49 L CA 0.216 55.051 54.840 -0.009 0.000 0.860 49 L CB 0.317 42.368 42.059 -0.014 0.000 1.086 49 L HN 0.055 nan 8.230 nan 0.000 0.482 50 L N 0.206 121.423 121.223 -0.010 0.000 2.401 50 L HA 0.279 4.619 4.340 0.000 0.000 0.266 50 L C -0.706 176.160 176.870 -0.007 0.000 0.991 50 L CA -1.000 53.836 54.840 -0.007 0.000 0.818 50 L CB 2.176 44.228 42.059 -0.010 0.000 1.321 50 L HN 0.043 nan 8.230 nan 0.000 0.413 51 D N 2.099 122.495 120.400 -0.007 0.000 2.400 51 D HA 0.023 4.663 4.640 0.000 0.000 0.238 51 D C -2.094 174.193 176.300 -0.020 0.000 1.157 51 D CA -1.207 52.783 54.000 -0.018 0.000 0.889 51 D CB 1.194 41.978 40.800 -0.027 0.000 1.199 51 D HN 0.202 nan 8.370 nan 0.000 0.436 52 P HA -0.160 nan 4.420 nan 0.000 0.218 52 P C 1.201 178.513 177.300 0.020 0.000 1.146 52 P CA 1.369 64.448 63.100 -0.035 0.000 0.813 52 P CB 0.190 31.831 31.700 -0.098 0.000 0.778 53 E N -0.855 119.350 120.200 0.009 0.000 2.033 53 E HA -0.086 4.264 4.350 0.000 0.000 0.189 53 E C 1.928 178.598 176.600 0.116 0.000 0.979 53 E CA 1.040 57.501 56.400 0.102 0.000 0.802 53 E CB -0.211 29.530 29.700 0.069 0.000 0.763 53 E HN 0.058 nan 8.360 nan 0.000 0.449 54 S N 0.751 116.485 115.700 0.056 0.000 2.383 54 S HA -0.199 4.272 4.470 0.000 0.000 0.229 54 S C 2.038 176.661 174.600 0.038 0.000 1.030 54 S CA 0.978 59.202 58.200 0.040 0.000 1.002 54 S CB -0.288 62.925 63.200 0.021 0.000 0.829 54 S HN 0.449 nan 8.310 nan 0.000 0.467 55 A N 1.570 124.417 122.820 0.045 0.000 1.908 55 A HA -0.220 4.100 4.320 0.000 0.000 0.218 55 A C 1.973 179.618 177.584 0.103 0.000 1.181 55 A CA 1.798 53.862 52.037 0.045 0.000 0.627 55 A CB -1.082 17.937 19.000 0.031 0.000 0.818 55 A HN 0.731 nan 8.150 nan 0.000 0.445 56 H N -0.648 118.454 119.070 0.053 0.000 2.353 56 H HA -0.056 4.501 4.556 0.000 0.000 0.300 56 H C 2.301 177.621 175.328 -0.012 0.000 1.090 56 H CA 1.581 57.667 56.048 0.065 0.000 1.327 56 H CB -0.065 29.746 29.762 0.081 0.000 1.383 56 H HN 0.419 nan 8.280 nan 0.000 0.508 57 R N -0.034 120.361 120.500 -0.175 0.000 2.115 57 R HA -0.105 4.235 4.340 0.000 0.000 0.230 57 R C 2.563 178.793 176.300 -0.117 0.000 1.111 57 R CA 1.030 56.995 56.100 -0.224 0.000 0.976 57 R CB -0.050 30.208 30.300 -0.071 0.000 0.870 57 R HN 0.284 nan 8.270 nan 0.000 0.445 58 L N 0.110 121.313 121.223 -0.034 0.000 2.072 58 L HA -0.026 4.314 4.340 0.000 0.000 0.205 58 L C 2.281 179.197 176.870 0.077 0.000 1.079 58 L CA 1.518 56.378 54.840 0.033 0.000 0.752 58 L CB -0.329 41.716 42.059 -0.023 0.000 0.906 58 L HN 0.085 nan 8.230 nan 0.000 0.436 59 A N -0.985 121.865 122.820 0.050 0.000 1.908 59 A HA -0.190 4.130 4.320 0.000 0.000 0.218 59 A C 2.227 179.933 177.584 0.203 0.000 1.181 59 A CA 2.192 54.347 52.037 0.196 0.000 0.627 59 A CB -1.097 18.120 19.000 0.361 0.000 0.818 59 A HN 0.299 nan 8.150 nan 0.000 0.445 60 V N -0.524 119.310 119.914 -0.133 0.000 2.358 60 V HA -0.236 3.884 4.120 0.000 0.000 0.246 60 V C 2.582 178.668 176.094 -0.014 0.000 1.047 60 V CA 2.201 64.359 62.300 -0.235 0.000 1.035 60 V CB -0.806 30.681 31.823 -0.560 0.000 0.658 60 V HN 0.529 nan 8.190 nan 0.000 0.452 61 R N -0.816 119.704 120.500 0.034 0.000 2.103 61 R HA -0.181 4.159 4.340 0.000 0.000 0.234 61 R C 2.209 178.614 176.300 0.175 0.000 1.132 61 R CA 2.247 58.408 56.100 0.100 0.000 0.925 61 R CB -0.584 29.794 30.300 0.129 0.000 0.842 61 R HN 0.384 nan 8.270 nan 0.000 0.430 62 F N 0.525 120.503 119.950 0.048 0.000 2.115 62 F HA -0.277 4.250 4.527 0.000 0.000 0.300 62 F C 2.539 178.396 175.800 0.096 0.000 1.092 62 F CA 1.845 59.891 58.000 0.077 0.000 1.245 62 F CB -0.641 38.419 39.000 0.099 0.000 0.995 62 F HN 0.105 nan 8.300 nan 0.000 0.481 63 T N -1.274 113.465 114.554 0.308 0.000 2.857 63 T HA -0.151 4.199 4.350 0.000 0.000 0.266 63 T C 2.263 177.051 174.700 0.147 0.000 1.048 63 T CA 1.463 63.709 62.100 0.242 0.000 1.139 63 T CB -0.512 68.553 68.868 0.330 0.000 0.874 63 T HN 0.396 nan 8.240 nan 0.000 0.455 64 S N 1.645 117.407 115.700 0.104 0.000 2.406 64 S HA 0.067 4.537 4.470 0.000 0.000 0.228 64 S C 1.994 176.617 174.600 0.039 0.000 1.020 64 S CA 0.584 58.820 58.200 0.060 0.000 0.965 64 S CB -0.700 62.521 63.200 0.034 0.000 0.798 64 S HN 0.447 nan 8.310 nan 0.000 0.488 65 L N 1.006 122.240 121.223 0.018 0.000 2.395 65 L HA 0.219 4.559 4.340 0.000 0.000 0.218 65 L C 1.885 178.746 176.870 -0.015 0.000 1.130 65 L CA 0.477 55.301 54.840 -0.027 0.000 0.826 65 L CB -0.971 41.025 42.059 -0.105 0.000 0.941 65 L HN 0.630 nan 8.230 nan 0.000 0.451 66 G N 0.144 108.961 108.800 0.028 0.000 2.176 66 G HA2 -0.292 3.668 3.960 0.000 0.000 0.252 66 G HA3 -0.292 3.668 3.960 0.000 0.000 0.252 66 G C 0.789 175.712 174.900 0.038 0.000 1.024 66 G CA 0.287 45.418 45.100 0.051 0.000 0.755 66 G HN 0.318 nan 8.290 nan 0.000 0.507 67 L N -0.580 120.648 121.223 0.009 0.000 2.201 67 L HA 0.119 4.460 4.340 0.000 0.000 0.212 67 L C 2.159 179.101 176.870 0.120 0.000 1.105 67 L CA 0.440 55.274 54.840 -0.010 0.000 0.775 67 L CB -0.201 41.721 42.059 -0.229 0.000 0.913 67 L HN 0.361 nan 8.230 nan 0.000 0.440 68 L N 1.251 122.582 121.223 0.181 0.000 2.536 68 L HA -0.019 4.321 4.340 0.000 0.000 0.294 68 L C -1.582 175.369 176.870 0.135 0.000 1.257 68 L CA -0.845 54.109 54.840 0.190 0.000 0.850 68 L CB -0.363 41.794 42.059 0.164 0.000 1.105 68 L HN 0.001 nan 8.230 nan 0.000 0.517 69 P HA 0.005 nan 4.420 nan 0.000 0.265 69 P C -0.530 176.810 177.300 0.066 0.000 1.193 69 P CA -0.015 63.142 63.100 0.096 0.000 0.765 69 P CB 0.356 32.115 31.700 0.099 0.000 0.823 70 R N 2.748 123.282 120.500 0.056 0.000 2.343 70 R HA 0.315 4.655 4.340 0.000 0.000 0.326 70 R C 0.208 176.532 176.300 0.040 0.000 1.055 70 R CA -0.365 55.763 56.100 0.046 0.000 0.961 70 R CB -0.044 30.280 30.300 0.040 0.000 0.978 70 R HN 0.578 nan 8.270 nan 0.000 0.443 71 A N 5.184 128.024 122.820 0.034 0.000 2.600 71 A HA -0.124 4.196 4.320 0.000 0.000 0.244 71 A C 1.115 178.733 177.584 0.056 0.000 1.016 71 A CA 0.337 52.396 52.037 0.037 0.000 0.778 71 A CB 0.218 19.239 19.000 0.034 0.000 0.920 71 A HN 0.968 nan 8.150 nan 0.000 0.513 72 R N 1.818 122.359 120.500 0.067 0.000 2.096 72 R HA -0.176 4.164 4.340 0.000 0.000 0.240 72 R C 0.643 176.998 176.300 0.092 0.000 1.139 72 R CA 1.372 57.517 56.100 0.074 0.000 0.952 72 R CB -0.374 29.976 30.300 0.084 0.000 0.854 72 R HN 0.724 nan 8.270 nan 0.000 0.436 73 F N 3.696 123.637 119.950 -0.014 0.000 2.533 73 F HA -0.014 4.513 4.527 0.000 0.000 0.378 73 F C 0.286 176.081 175.800 -0.007 0.000 1.070 73 F CA -0.281 57.712 58.000 -0.012 0.000 1.172 73 F CB 0.477 39.463 39.000 -0.023 0.000 1.085 73 F HN -0.067 nan 8.300 nan 0.000 0.552 74 Q N 5.314 124.682 119.800 -0.720 0.000 2.332 74 Q HA 0.087 4.427 4.340 0.000 0.000 0.263 74 Q C -0.640 174.765 176.000 -0.991 0.000 0.979 74 Q CA -0.118 55.313 55.803 -0.620 0.000 0.885 74 Q CB 0.626 29.122 28.738 -0.403 0.000 1.218 74 Q HN 0.566 nan 8.270 nan 0.000 0.405 75 D N 1.783 121.935 120.400 -0.414 0.000 2.325 75 D HA 0.048 4.688 4.640 0.000 0.000 0.251 75 D C 0.505 176.738 176.300 -0.112 0.000 1.196 75 D CA 0.067 53.975 54.000 -0.152 0.000 0.866 75 D CB 0.752 41.586 40.800 0.058 0.000 1.101 75 D HN 0.454 nan 8.370 nan 0.000 0.476 76 S N 1.724 117.398 115.700 -0.045 0.000 2.600 76 S HA 0.033 4.503 4.470 0.000 0.000 0.265 76 S C 0.862 175.486 174.600 0.039 0.000 1.325 76 S CA -0.534 57.665 58.200 -0.002 0.000 1.002 76 S CB 1.315 64.542 63.200 0.044 0.000 0.921 76 S HN 0.198 nan 8.310 nan 0.000 0.554 77 D N 1.025 121.442 120.400 0.030 0.000 2.263 77 D HA -0.082 4.558 4.640 0.000 0.000 0.208 77 D C 1.700 178.033 176.300 0.055 0.000 0.971 77 D CA 1.222 55.245 54.000 0.039 0.000 0.867 77 D CB -0.336 40.481 40.800 0.029 0.000 0.929 77 D HN 0.605 nan 8.370 nan 0.000 0.492 78 M N -0.310 119.328 119.600 0.063 0.000 2.530 78 M HA -0.090 4.390 4.480 0.000 0.000 0.261 78 M C 1.535 177.877 176.300 0.071 0.000 1.067 78 M CA 0.842 56.183 55.300 0.068 0.000 1.071 78 M CB 0.085 32.733 32.600 0.080 0.000 1.405 78 M HN 0.041 nan 8.290 nan 0.000 0.478 79 L N -1.111 120.165 121.223 0.088 0.000 2.664 79 L HA 0.160 4.500 4.340 0.000 0.000 0.233 79 L C 0.808 177.742 176.870 0.106 0.000 1.113 79 L CA -0.124 54.776 54.840 0.099 0.000 0.896 79 L CB 0.058 42.202 42.059 0.141 0.000 1.163 79 L HN 0.213 nan 8.230 nan 0.000 0.497 80 E N 1.437 121.695 120.200 0.098 0.000 2.417 80 E HA 0.141 4.492 4.350 0.000 0.000 0.261 80 E C -1.099 175.558 176.600 0.094 0.000 1.000 80 E CA -0.006 56.459 56.400 0.108 0.000 0.919 80 E CB 0.836 30.585 29.700 0.082 0.000 0.955 80 E HN -0.117 nan 8.360 nan 0.000 0.455 81 V N 6.199 126.190 119.914 0.129 0.000 2.577 81 V HA 0.347 4.467 4.120 0.000 0.000 0.303 81 V C -0.386 175.793 176.094 0.142 0.000 1.042 81 V CA -0.946 61.400 62.300 0.076 0.000 0.872 81 V CB 1.766 33.575 31.823 -0.024 0.000 0.998 81 V HN 0.651 nan 8.190 nan 0.000 0.423 82 R N 3.300 123.856 120.500 0.093 0.000 2.202 82 R HA 0.734 5.074 4.340 0.000 0.000 0.334 82 R C -0.885 175.450 176.300 0.059 0.000 1.036 82 R CA -0.352 55.819 56.100 0.118 0.000 0.878 82 R CB 1.688 32.030 30.300 0.069 0.000 1.067 82 R HN 0.464 nan 8.270 nan 0.000 0.457 83 V N 5.099 125.071 119.914 0.096 0.000 2.924 83 V HA 0.218 4.338 4.120 0.000 0.000 0.300 83 V C -0.244 175.894 176.094 0.072 0.000 1.227 83 V CA -0.671 61.616 62.300 -0.021 0.000 0.954 83 V CB 1.435 33.133 31.823 -0.208 0.000 1.055 83 V HN 0.915 nan 8.190 nan 0.000 0.429 84 L N 5.870 127.105 121.223 0.021 0.000 4.192 84 L HA -0.108 4.232 4.340 0.000 0.000 0.403 84 L C 1.131 178.037 176.870 0.060 0.000 1.163 84 L CA 0.752 55.631 54.840 0.065 0.000 0.937 84 L CB -1.633 40.487 42.059 0.101 0.000 2.134 84 L HN 1.721 nan 8.230 nan 0.000 0.754 85 G N -0.760 108.009 108.800 -0.051 0.000 2.182 85 G HA2 -0.238 3.722 3.960 0.000 0.000 0.248 85 G HA3 -0.238 3.722 3.960 0.000 0.000 0.248 85 G C -0.012 174.541 174.900 -0.578 0.000 1.042 85 G CA 0.447 45.389 45.100 -0.263 0.000 0.775 85 G HN 0.658 nan 8.290 nan 0.000 0.501 86 H N -1.332 117.804 119.070 0.109 0.000 3.079 86 H HA 0.374 4.930 4.556 0.000 0.000 0.356 86 H C -0.232 175.197 175.328 0.169 0.000 1.221 86 H CA -0.548 55.552 56.048 0.087 0.000 1.185 86 H CB 1.605 31.379 29.762 0.020 0.000 1.882 86 H HN 0.355 nan 8.280 nan 0.000 0.543 87 K N 2.021 122.538 120.400 0.196 0.000 2.205 87 K HA 0.388 4.708 4.320 0.000 0.000 0.279 87 K C -1.330 175.351 176.600 0.135 0.000 1.027 87 K CA -0.210 56.187 56.287 0.183 0.000 0.932 87 K CB 0.508 33.060 32.500 0.086 0.000 1.032 87 K HN 0.178 nan 8.250 nan 0.000 0.466 88 F N 3.468 123.455 119.950 0.061 0.000 2.467 88 F HA 0.366 4.893 4.527 0.000 0.000 0.336 88 F C 1.323 177.184 175.800 0.101 0.000 1.123 88 F CA -0.963 57.089 58.000 0.087 0.000 0.964 88 F CB 1.783 40.818 39.000 0.058 0.000 1.136 88 F HN 0.671 nan 8.300 nan 0.000 0.447 89 R N 1.990 122.628 120.500 0.231 0.000 2.092 89 R HA -0.104 4.236 4.340 0.000 0.000 0.231 89 R C -0.219 176.200 176.300 0.199 0.000 1.119 89 R CA 1.508 57.709 56.100 0.169 0.000 0.970 89 R CB -0.013 30.354 30.300 0.111 0.000 0.864 89 R HN 0.840 nan 8.270 nan 0.000 0.440 90 N N -1.859 117.001 118.700 0.266 0.000 2.455 90 N HA 0.231 4.971 4.740 0.000 0.000 0.278 90 N C -2.634 173.071 175.510 0.325 0.000 1.291 90 N CA -1.819 51.378 53.050 0.246 0.000 0.780 90 N CB 2.186 40.805 38.487 0.220 0.000 1.520 90 N HN -0.275 nan 8.380 nan 0.000 0.486 91 P HA 0.172 nan 4.420 nan 0.000 0.266 91 P C -0.778 176.741 177.300 0.365 0.000 1.381 91 P CA 0.010 63.271 63.100 0.269 0.000 0.940 91 P CB 0.291 32.052 31.700 0.100 0.000 1.435 92 V N 0.575 120.664 119.914 0.291 0.000 2.350 92 V HA 0.616 4.736 4.120 0.000 0.000 0.276 92 V C 0.939 177.082 176.094 0.082 0.000 1.028 92 V CA -0.457 61.946 62.300 0.171 0.000 0.860 92 V CB 1.085 32.953 31.823 0.075 0.000 0.990 92 V HN 0.112 nan 8.190 nan 0.000 0.453 93 G N 3.645 112.271 108.800 -0.291 0.000 2.400 93 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 93 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 93 G C -0.943 173.542 174.900 -0.691 0.000 1.143 93 G CA -0.741 43.675 45.100 -1.140 0.000 0.914 93 G HN 0.640 nan 8.290 nan 0.000 0.480 94 I N 1.924 121.730 120.570 -1.274 0.000 2.416 94 I HA 0.547 4.717 4.170 0.000 0.000 0.288 94 I C 0.817 176.534 176.117 -0.667 0.000 1.051 94 I CA -0.246 60.229 61.300 -1.375 0.000 1.375 94 I CB 0.713 37.532 38.000 -1.968 0.000 1.407 94 I HN 0.609 nan 8.210 nan 0.000 0.516 95 A N 6.422 129.002 122.820 -0.400 0.000 2.304 95 A HA 0.762 5.082 4.320 0.000 0.000 0.271 95 A C 0.280 177.741 177.584 -0.206 0.000 1.091 95 A CA -0.205 51.723 52.037 -0.182 0.000 0.812 95 A CB 0.137 19.136 19.000 -0.003 0.000 1.056 95 A HN 1.080 nan 8.150 nan 0.000 0.489 96 A N -0.303 122.472 122.820 -0.074 0.000 2.540 96 A HA 0.485 4.805 4.320 0.000 0.000 0.239 96 A C 1.443 178.982 177.584 -0.076 0.000 1.061 96 A CA 0.983 52.975 52.037 -0.074 0.000 0.758 96 A CB -0.611 18.398 19.000 0.015 0.000 0.991 96 A HN 2.662 nan 8.150 nan 0.000 0.502 97 G N 0.947 109.648 108.800 -0.164 0.000 2.612 97 G HA2 -0.250 3.710 3.960 0.000 0.000 0.200 97 G HA3 -0.250 3.710 3.960 0.000 0.000 0.200 97 G C 0.943 175.612 174.900 -0.385 0.000 1.053 97 G CA 0.741 45.756 45.100 -0.142 0.000 0.707 97 G HN 1.119 nan 8.290 nan 0.000 0.497 98 F N 2.379 121.777 119.950 -0.920 0.000 2.084 98 F HA 0.279 4.806 4.527 0.000 0.000 0.296 98 F C 1.108 176.768 175.800 -0.233 0.000 1.111 98 F CA 1.922 59.495 58.000 -0.713 0.000 1.224 98 F CB 0.214 38.717 39.000 -0.828 0.000 0.991 98 F HN 0.111 nan 8.300 nan 0.000 0.471 99 D N 0.322 120.546 120.400 -0.293 0.000 2.772 99 D HA 0.121 4.761 4.640 0.000 0.000 0.273 99 D C 1.033 177.103 176.300 -0.383 0.000 1.233 99 D CA 0.010 53.806 54.000 -0.339 0.000 0.984 99 D CB 0.041 40.739 40.800 -0.170 0.000 1.000 99 D HN 0.155 nan 8.370 nan 0.000 0.514 100 K N -0.110 119.951 120.400 -0.566 0.000 2.218 100 K HA -0.140 4.180 4.320 0.000 0.000 0.205 100 K C 0.490 176.694 176.600 -0.660 0.000 1.046 100 K CA 1.059 56.927 56.287 -0.698 0.000 0.933 100 K CB 0.133 32.027 32.500 -1.010 0.000 0.728 100 K HN 0.524 nan 8.250 nan 0.000 0.454 101 H N -1.757 117.157 119.070 -0.259 0.000 2.767 101 H HA 0.180 4.736 4.556 0.000 0.000 0.260 101 H C 0.502 175.752 175.328 -0.131 0.000 1.172 101 H CA 0.273 56.176 56.048 -0.242 0.000 1.048 101 H CB 0.659 30.157 29.762 -0.440 0.000 1.697 101 H HN 0.259 nan 8.280 nan 0.000 0.606 102 G N 2.480 111.230 108.800 -0.083 0.000 2.350 102 G HA2 -0.309 3.651 3.960 0.000 0.000 0.298 102 G HA3 -0.309 3.651 3.960 0.000 0.000 0.298 102 G C 0.595 175.487 174.900 -0.013 0.000 1.037 102 G CA 0.607 45.674 45.100 -0.055 0.000 1.074 102 G HN 0.601 nan 8.290 nan 0.000 0.511 103 E N -0.759 119.427 120.200 -0.024 0.000 2.452 103 E HA 0.376 4.726 4.350 0.000 0.000 0.197 103 E C 1.859 178.459 176.600 -0.000 0.000 1.022 103 E CA 0.556 56.959 56.400 0.005 0.000 0.890 103 E CB 0.536 30.243 29.700 0.011 0.000 0.918 103 E HN 0.837 nan 8.360 nan 0.000 0.496 104 A N 0.758 123.569 122.820 -0.015 0.000 2.624 104 A HA 0.263 4.583 4.320 0.000 0.000 0.287 104 A C 1.710 179.303 177.584 0.015 0.000 1.087 104 A CA -0.251 51.800 52.037 0.023 0.000 0.964 104 A CB 0.091 19.123 19.000 0.053 0.000 1.231 104 A HN 0.024 nan 8.150 nan 0.000 0.551 105 V N 0.628 120.530 119.914 -0.021 0.000 2.231 105 V HA -0.309 3.811 4.120 0.000 0.000 0.248 105 V C 2.210 178.295 176.094 -0.015 0.000 1.054 105 V CA 2.593 64.846 62.300 -0.079 0.000 1.015 105 V CB -0.546 31.259 31.823 -0.032 0.000 0.638 105 V HN 0.553 nan 8.190 nan 0.000 0.444 106 D N 0.368 120.838 120.400 0.116 0.000 2.149 106 D HA -0.136 4.504 4.640 0.000 0.000 0.198 106 D C 2.140 178.548 176.300 0.180 0.000 0.990 106 D CA 1.764 55.892 54.000 0.213 0.000 0.839 106 D CB -0.385 40.505 40.800 0.149 0.000 0.948 106 D HN 0.541 nan 8.370 nan 0.000 0.460 107 G N 0.473 109.345 108.800 0.120 0.000 2.421 107 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 107 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 107 G C 1.862 176.846 174.900 0.140 0.000 1.143 107 G CA -0.021 45.156 45.100 0.128 0.000 0.784 107 G HN 0.219 nan 8.290 nan 0.000 0.541 108 L N -0.808 120.473 121.223 0.096 0.000 2.042 108 L HA -0.112 4.228 4.340 0.000 0.000 0.210 108 L C 2.652 179.638 176.870 0.194 0.000 1.076 108 L CA 1.168 56.075 54.840 0.111 0.000 0.749 108 L CB -0.463 41.520 42.059 -0.127 0.000 0.893 108 L HN 0.254 nan 8.230 nan 0.000 0.432 109 Y N -0.187 120.209 120.300 0.160 0.000 2.145 109 Y HA -0.308 4.243 4.550 0.000 0.000 0.286 109 Y C 2.710 178.668 175.900 0.097 0.000 1.145 109 Y CA 1.382 59.561 58.100 0.132 0.000 1.148 109 Y CB -0.192 38.316 38.460 0.081 0.000 0.981 109 Y HN 0.091 nan 8.280 nan 0.000 0.507 110 K N 0.567 121.113 120.400 0.244 0.000 2.281 110 K HA -0.229 4.091 4.320 0.000 0.000 0.203 110 K C 1.986 178.644 176.600 0.097 0.000 1.046 110 K CA 1.280 57.654 56.287 0.145 0.000 0.938 110 K CB -0.210 32.361 32.500 0.119 0.000 0.737 110 K HN 0.348 nan 8.250 nan 0.000 0.458 111 M N -1.002 118.654 119.600 0.093 0.000 2.558 111 M HA 0.019 4.499 4.480 0.000 0.000 0.255 111 M C 0.663 176.883 176.300 -0.134 0.000 1.113 111 M CA 1.357 56.648 55.300 -0.015 0.000 1.097 111 M CB 0.544 33.143 32.600 -0.002 0.000 1.426 111 M HN 0.422 nan 8.290 nan 0.000 0.488 112 G N -0.263 108.509 108.800 -0.046 0.000 2.192 112 G HA2 -0.205 3.756 3.960 0.000 0.000 0.193 112 G HA3 -0.205 3.756 3.960 0.000 0.000 0.193 112 G C -0.059 174.787 174.900 -0.089 0.000 0.999 112 G CA -0.591 44.474 45.100 -0.057 0.000 0.659 112 G HN 0.387 nan 8.290 nan 0.000 0.503 113 F N 0.735 120.702 119.950 0.027 0.000 2.545 113 F HA 0.425 4.952 4.527 0.000 0.000 0.348 113 F C 1.874 177.754 175.800 0.134 0.000 1.163 113 F CA 1.176 59.170 58.000 -0.009 0.000 1.331 113 F CB 1.081 39.988 39.000 -0.155 0.000 1.138 113 F HN 0.010 nan 8.300 nan 0.000 0.602 114 G N 1.984 111.010 108.800 0.377 0.000 2.744 114 G HA2 0.148 4.108 3.960 0.000 0.000 0.211 114 G HA3 0.148 4.108 3.960 0.000 0.000 0.211 114 G C -0.449 174.826 174.900 0.625 0.000 1.146 114 G CA 0.163 45.536 45.100 0.455 0.000 0.787 114 G HN 0.559 nan 8.290 nan 0.000 0.534 115 F N -2.045 118.143 119.950 0.397 0.000 2.688 115 F HA 0.690 5.217 4.527 0.000 0.000 0.308 115 F C -1.554 174.310 175.800 0.107 0.000 1.117 115 F CA -1.604 56.603 58.000 0.345 0.000 0.976 115 F CB 1.263 40.542 39.000 0.466 0.000 1.291 115 F HN -0.153 nan 8.300 nan 0.000 0.439 116 V N 1.850 121.791 119.914 0.044 0.000 2.555 116 V HA 0.544 4.664 4.120 0.000 0.000 0.302 116 V C -0.863 175.182 176.094 -0.081 0.000 1.038 116 V CA -0.585 61.532 62.300 -0.306 0.000 0.887 116 V CB 1.725 33.165 31.823 -0.638 0.000 0.991 116 V HN 0.893 nan 8.190 nan 0.000 0.434 117 E N 3.986 124.092 120.200 -0.157 0.000 2.199 117 E HA 0.616 4.966 4.350 0.000 0.000 0.265 117 E C -1.033 175.474 176.600 -0.155 0.000 0.882 117 E CA -0.733 55.619 56.400 -0.080 0.000 0.759 117 E CB 1.785 31.525 29.700 0.067 0.000 1.148 117 E HN 0.742 nan 8.360 nan 0.000 0.412 118 I N 1.162 121.643 120.570 -0.149 0.000 2.437 118 I HA 0.673 4.843 4.170 0.000 0.000 0.298 118 I C 0.642 176.666 176.117 -0.154 0.000 0.984 118 I CA -0.855 60.348 61.300 -0.162 0.000 1.214 118 I CB 1.546 39.458 38.000 -0.148 0.000 1.365 118 I HN 0.517 nan 8.210 nan 0.000 0.469 119 G N 3.489 112.170 108.800 -0.199 0.000 2.636 119 G HA2 0.183 4.143 3.960 0.000 0.000 0.246 119 G HA3 0.183 4.143 3.960 0.000 0.000 0.246 119 G C -0.136 174.666 174.900 -0.162 0.000 1.216 119 G CA -0.604 44.386 45.100 -0.184 0.000 0.854 119 G HN 0.765 nan 8.290 nan 0.000 0.572 120 S N -0.720 114.908 115.700 -0.120 0.000 2.596 120 S HA 0.152 4.622 4.470 0.000 0.000 0.298 120 S C 0.432 174.852 174.600 -0.301 0.000 1.255 120 S CA -0.316 57.748 58.200 -0.227 0.000 1.083 120 S CB 0.522 63.526 63.200 -0.327 0.000 0.837 120 S HN 0.459 nan 8.310 nan 0.000 0.499 121 V N 4.267 124.019 119.914 -0.269 0.000 2.472 121 V HA 0.514 4.634 4.120 0.000 0.000 0.290 121 V C 0.713 176.626 176.094 -0.301 0.000 1.037 121 V CA -0.874 61.297 62.300 -0.214 0.000 0.908 121 V CB 1.639 33.382 31.823 -0.134 0.000 0.985 121 V HN 0.950 nan 8.190 nan 0.000 0.454 122 T N 2.140 116.543 114.554 -0.251 0.000 2.929 122 T HA 0.468 4.818 4.350 0.000 0.000 0.284 122 T C -2.032 172.579 174.700 -0.148 0.000 1.014 122 T CA -2.046 59.909 62.100 -0.242 0.000 1.051 122 T CB 2.116 70.885 68.868 -0.165 0.000 1.028 122 T HN 0.350 nan 8.240 nan 0.000 0.485 123 P HA -0.055 nan 4.420 nan 0.000 0.211 123 P C 0.087 177.349 177.300 -0.063 0.000 1.181 123 P CA 1.188 64.229 63.100 -0.097 0.000 0.929 123 P CB 0.068 31.712 31.700 -0.094 0.000 0.789 124 K N -0.963 119.409 120.400 -0.047 0.000 2.098 124 K HA 0.313 4.633 4.320 0.000 0.000 0.257 124 K C -2.381 174.211 176.600 -0.013 0.000 0.999 124 K CA -2.293 53.980 56.287 -0.025 0.000 0.924 124 K CB -0.759 31.731 32.500 -0.016 0.000 1.028 124 K HN -0.081 nan 8.250 nan 0.000 0.466 125 P HA 0.030 nan 4.420 nan 0.000 0.268 125 P C -1.313 176.001 177.300 0.025 0.000 1.205 125 P CA -0.144 62.965 63.100 0.015 0.000 0.771 125 P CB 0.612 32.315 31.700 0.005 0.000 0.858 126 Q N 0.157 119.985 119.800 0.046 0.000 2.511 126 Q HA 0.410 4.750 4.340 0.000 0.000 0.289 126 Q C -0.243 175.805 176.000 0.080 0.000 1.021 126 Q CA -0.717 55.121 55.803 0.058 0.000 0.785 126 Q CB 1.484 30.263 28.738 0.068 0.000 1.472 126 Q HN 0.241 nan 8.270 nan 0.000 0.411 127 E N 0.265 120.512 120.200 0.079 0.000 2.364 127 E HA 0.237 4.587 4.350 0.000 0.000 0.196 127 E C 0.400 177.072 176.600 0.120 0.000 0.990 127 E CA 0.657 57.111 56.400 0.089 0.000 0.886 127 E CB 0.634 30.374 29.700 0.066 0.000 0.866 127 E HN 0.840 nan 8.360 nan 0.000 0.493 128 G N 1.328 110.202 108.800 0.123 0.000 2.610 128 G HA2 -0.188 3.772 3.960 0.000 0.000 0.304 128 G HA3 -0.188 3.772 3.960 0.000 0.000 0.304 128 G C -0.628 174.335 174.900 0.105 0.000 1.309 128 G CA -0.643 44.545 45.100 0.146 0.000 0.906 128 G HN 0.076 nan 8.290 nan 0.000 0.521 129 N N 0.975 119.731 118.700 0.094 0.000 2.381 129 N HA 0.527 5.268 4.740 0.000 0.000 0.254 129 N C -2.406 173.130 175.510 0.042 0.000 1.264 129 N CA -0.761 52.321 53.050 0.052 0.000 0.942 129 N CB 0.107 38.612 38.487 0.031 0.000 1.190 129 N HN 0.375 nan 8.380 nan 0.000 0.495 130 P HA 0.121 nan 4.420 nan 0.000 0.271 130 P C -0.036 177.267 177.300 0.005 0.000 1.216 130 P CA 0.052 63.166 63.100 0.024 0.000 0.771 130 P CB 0.561 32.275 31.700 0.024 0.000 0.864 131 R N 3.947 124.445 120.500 -0.004 0.000 2.640 131 R HA 0.144 4.484 4.340 0.000 0.000 0.270 131 R C -1.654 174.640 176.300 -0.011 0.000 1.024 131 R CA -0.808 55.270 56.100 -0.037 0.000 1.085 131 R CB -0.558 29.727 30.300 -0.025 0.000 0.963 131 R HN 0.484 nan 8.270 nan 0.000 0.426 132 P HA 0.217 nan 4.420 nan 0.000 0.288 132 P C -0.663 176.516 177.300 -0.202 0.000 1.267 132 P CA -0.530 62.487 63.100 -0.138 0.000 0.815 132 P CB 1.003 32.648 31.700 -0.091 0.000 0.989 133 R N 0.452 120.677 120.500 -0.457 0.000 2.549 133 R HA 0.423 4.763 4.340 0.000 0.000 0.399 133 R C -0.775 175.088 176.300 -0.729 0.000 0.964 133 R CA -0.373 55.459 56.100 -0.446 0.000 1.173 133 R CB 0.148 30.236 30.300 -0.353 0.000 1.535 133 R HN 0.187 nan 8.270 nan 0.000 0.551 134 V N 1.042 120.309 119.914 -1.079 0.000 2.808 134 V HA 0.621 4.741 4.120 0.000 0.000 0.308 134 V C -1.289 174.219 176.094 -0.976 0.000 1.099 134 V CA -0.794 61.026 62.300 -0.800 0.000 0.920 134 V CB 1.753 33.273 31.823 -0.506 0.000 1.014 134 V HN 0.095 nan 8.190 nan 0.000 0.425 135 F N 1.324 121.228 119.950 -0.076 0.000 2.619 135 F HA 0.678 5.205 4.527 0.000 0.000 0.308 135 F C 0.116 175.911 175.800 -0.007 0.000 1.097 135 F CA -0.803 57.175 58.000 -0.037 0.000 0.953 135 F CB 2.119 41.099 39.000 -0.033 0.000 1.287 135 F HN 0.243 nan 8.300 nan 0.000 0.446 136 R N 1.513 122.131 120.500 0.196 0.000 2.540 136 R HA 0.727 5.067 4.340 0.000 0.000 0.287 136 R C -1.427 174.988 176.300 0.190 0.000 0.980 136 R CA -1.022 55.188 56.100 0.184 0.000 0.966 136 R CB 1.478 31.869 30.300 0.151 0.000 1.106 136 R HN 0.453 nan 8.270 nan 0.000 0.480 137 L N 4.670 126.019 121.223 0.210 0.000 2.556 137 L HA 0.272 4.612 4.340 0.000 0.000 0.243 137 L C -1.703 175.221 176.870 0.090 0.000 1.331 137 L CA -1.423 53.486 54.840 0.115 0.000 0.927 137 L CB 1.489 43.591 42.059 0.072 0.000 1.219 137 L HN 0.442 nan 8.230 nan 0.000 0.490 138 P HA -0.181 nan 4.420 nan 0.000 0.218 138 P C 0.801 178.028 177.300 -0.121 0.000 1.148 138 P CA 1.317 64.446 63.100 0.047 0.000 0.822 138 P CB 0.576 32.336 31.700 0.101 0.000 0.784 139 E N -0.176 119.984 120.200 -0.067 0.000 2.204 139 E HA -0.112 4.238 4.350 0.000 0.000 0.194 139 E C 1.384 177.923 176.600 -0.101 0.000 0.989 139 E CA 0.991 57.342 56.400 -0.081 0.000 0.824 139 E CB -0.603 29.069 29.700 -0.047 0.000 0.756 139 E HN 0.371 nan 8.360 nan 0.000 0.477 140 D N -0.116 120.224 120.400 -0.100 0.000 2.360 140 D HA 0.002 4.643 4.640 0.000 0.000 0.210 140 D C -0.211 175.996 176.300 -0.155 0.000 1.047 140 D CA 0.065 54.009 54.000 -0.093 0.000 0.854 140 D CB 0.229 41.003 40.800 -0.043 0.000 0.936 140 D HN 0.076 nan 8.370 nan 0.000 0.514 141 Q N -0.056 119.541 119.800 -0.339 0.000 2.439 141 Q HA -0.178 4.163 4.340 0.000 0.000 0.325 141 Q C -0.417 175.452 176.000 -0.218 0.000 1.372 141 Q CA 0.504 55.888 55.803 -0.698 0.000 0.909 141 Q CB -1.314 27.100 28.738 -0.539 0.000 1.167 141 Q HN 0.359 nan 8.270 nan 0.000 0.418 142 A N -0.592 122.243 122.820 0.024 0.000 2.485 142 A HA 0.930 5.250 4.320 0.000 0.000 0.292 142 A C -0.772 176.965 177.584 0.255 0.000 1.147 142 A CA -0.523 51.602 52.037 0.147 0.000 0.750 142 A CB 2.112 21.148 19.000 0.060 0.000 1.331 142 A HN 0.133 nan 8.150 nan 0.000 0.419 143 V N 0.459 120.463 119.914 0.151 0.000 3.007 143 V HA 0.528 4.648 4.120 0.000 0.000 0.311 143 V C -1.047 175.095 176.094 0.080 0.000 1.120 143 V CA -0.297 62.067 62.300 0.107 0.000 0.980 143 V CB 2.005 33.832 31.823 0.006 0.000 1.033 143 V HN 0.732 nan 8.190 nan 0.000 0.429 144 I N 3.581 124.224 120.570 0.122 0.000 2.465 144 I HA 0.504 4.674 4.170 0.000 0.000 0.291 144 I C -0.666 175.542 176.117 0.151 0.000 1.014 144 I CA -0.457 60.921 61.300 0.130 0.000 1.093 144 I CB 2.002 40.077 38.000 0.125 0.000 1.267 144 I HN 0.882 nan 8.210 nan 0.000 0.431 145 N N 4.616 123.360 118.700 0.073 0.000 2.249 145 N HA 0.594 5.334 4.740 0.000 0.000 0.296 145 N C -0.679 174.834 175.510 0.005 0.000 1.051 145 N CA -1.105 51.938 53.050 -0.013 0.000 0.815 145 N CB 1.547 40.039 38.487 0.008 0.000 1.487 145 N HN 0.591 nan 8.380 nan 0.000 0.475 146 R N 1.104 121.568 120.500 -0.060 0.000 2.834 146 R HA 0.252 4.592 4.340 0.000 0.000 0.362 146 R C -0.484 175.799 176.300 -0.030 0.000 1.147 146 R CA -0.656 55.434 56.100 -0.018 0.000 1.125 146 R CB -0.723 29.589 30.300 0.021 0.000 1.361 146 R HN 0.542 nan 8.270 nan 0.000 0.598 147 Y N 1.743 122.043 120.300 0.000 0.000 2.165 147 Y HA -0.128 4.422 4.550 0.000 0.000 0.286 147 Y C 1.898 177.806 175.900 0.013 0.000 1.155 147 Y CA 1.856 59.965 58.100 0.014 0.000 1.164 147 Y CB -0.004 38.478 38.460 0.037 0.000 0.978 147 Y HN 0.659 nan 8.280 nan 0.000 0.513 148 G N -0.118 108.753 108.800 0.118 0.000 2.333 148 G HA2 -0.328 3.632 3.960 0.000 0.000 0.296 148 G HA3 -0.328 3.632 3.960 0.000 0.000 0.296 148 G C 0.049 175.020 174.900 0.119 0.000 1.059 148 G CA 0.141 45.226 45.100 -0.025 0.000 1.050 148 G HN 0.566 nan 8.290 nan 0.000 0.508 149 F N -1.566 118.444 119.950 0.100 0.000 2.803 149 F HA -0.229 4.298 4.527 0.000 0.000 0.323 149 F C 1.037 176.870 175.800 0.055 0.000 1.033 149 F CA 0.232 58.262 58.000 0.050 0.000 1.066 149 F CB -1.374 37.647 39.000 0.034 0.000 1.283 149 F HN 0.714 nan 8.300 nan 0.000 0.816 150 N N 1.294 120.137 118.700 0.240 0.000 2.405 150 N HA 0.257 4.998 4.740 0.000 0.000 0.260 150 N C -0.534 175.076 175.510 0.166 0.000 1.152 150 N CA 0.087 53.242 53.050 0.176 0.000 0.948 150 N CB 1.963 40.547 38.487 0.162 0.000 1.111 150 N HN 0.223 nan 8.380 nan 0.000 0.485 151 S N 1.047 116.819 115.700 0.120 0.000 2.548 151 S HA 0.261 4.731 4.470 0.000 0.000 0.286 151 S C 0.448 175.080 174.600 0.054 0.000 1.098 151 S CA -0.696 57.551 58.200 0.079 0.000 0.930 151 S CB 0.892 64.105 63.200 0.022 0.000 1.070 151 S HN 0.650 nan 8.310 nan 0.000 0.480 152 H N 2.044 121.014 119.070 -0.168 0.000 2.547 152 H HA 0.260 4.816 4.556 0.000 0.000 0.272 152 H C 1.346 176.623 175.328 -0.085 0.000 0.989 152 H CA 0.082 56.019 56.048 -0.185 0.000 1.214 152 H CB 0.204 29.806 29.762 -0.266 0.000 1.389 152 H HN 0.909 nan 8.280 nan 0.000 0.577 153 G N 0.099 108.932 108.800 0.054 0.000 2.756 153 G HA2 -0.252 3.708 3.960 0.000 0.000 0.678 153 G HA3 -0.252 3.708 3.960 0.000 0.000 0.678 153 G C 0.450 175.336 174.900 -0.022 0.000 1.349 153 G CA -0.246 44.852 45.100 -0.003 0.000 0.847 153 G HN 0.176 nan 8.290 nan 0.000 0.548 154 L N 0.166 121.358 121.223 -0.051 0.000 1.994 154 L HA -0.099 4.241 4.340 0.000 0.000 0.208 154 L C 3.238 180.049 176.870 -0.100 0.000 1.071 154 L CA 2.205 57.001 54.840 -0.073 0.000 0.745 154 L CB -0.925 41.087 42.059 -0.078 0.000 0.892 154 L HN 0.682 nan 8.230 nan 0.000 0.431 155 S N -0.357 115.285 115.700 -0.097 0.000 2.369 155 S HA -0.224 4.246 4.470 0.000 0.000 0.225 155 S C 1.982 176.486 174.600 -0.160 0.000 1.043 155 S CA 1.809 59.916 58.200 -0.155 0.000 1.074 155 S CB -0.336 62.849 63.200 -0.026 0.000 0.962 155 S HN 0.181 nan 8.310 nan 0.000 0.433 156 V N 1.029 120.936 119.914 -0.011 0.000 2.295 156 V HA -0.140 3.980 4.120 0.000 0.000 0.246 156 V C 2.281 178.395 176.094 0.033 0.000 1.049 156 V CA 1.660 63.996 62.300 0.060 0.000 1.024 156 V CB -0.672 31.187 31.823 0.061 0.000 0.648 156 V HN 0.349 nan 8.190 nan 0.000 0.447 157 V N -0.303 119.614 119.914 0.004 0.000 2.358 157 V HA -0.260 3.860 4.120 0.000 0.000 0.246 157 V C 2.432 178.496 176.094 -0.049 0.000 1.047 157 V CA 2.142 64.441 62.300 -0.001 0.000 1.035 157 V CB -0.572 31.245 31.823 -0.010 0.000 0.658 157 V HN 0.660 nan 8.190 nan 0.000 0.452 158 E N 0.093 120.217 120.200 -0.126 0.000 2.068 158 E HA -0.333 4.017 4.350 0.000 0.000 0.207 158 E C 2.103 178.614 176.600 -0.149 0.000 1.032 158 E CA 2.537 58.830 56.400 -0.180 0.000 0.839 158 E CB -0.257 29.263 29.700 -0.300 0.000 0.758 158 E HN 0.816 nan 8.360 nan 0.000 0.457 159 H N -0.641 118.430 119.070 0.000 0.000 2.387 159 H HA -0.066 4.490 4.556 0.000 0.000 0.299 159 H C 2.432 177.764 175.328 0.006 0.000 1.099 159 H CA 1.525 57.573 56.048 0.001 0.000 1.315 159 H CB -0.066 29.693 29.762 -0.004 0.000 1.380 159 H HN 0.080 nan 8.280 nan 0.000 0.513 160 R N 0.508 121.069 120.500 0.102 0.000 2.080 160 R HA -0.119 4.221 4.340 0.000 0.000 0.236 160 R C 2.154 178.482 176.300 0.047 0.000 1.137 160 R CA 1.433 57.575 56.100 0.070 0.000 0.943 160 R CB -0.190 30.147 30.300 0.061 0.000 0.846 160 R HN 0.282 nan 8.270 nan 0.000 0.431 161 L N -0.086 121.152 121.223 0.025 0.000 2.056 161 L HA -0.139 4.201 4.340 0.000 0.000 0.207 161 L C 2.555 179.444 176.870 0.031 0.000 1.078 161 L CA 1.190 56.042 54.840 0.020 0.000 0.749 161 L CB -0.512 41.547 42.059 -0.000 0.000 0.901 161 L HN 0.224 nan 8.230 nan 0.000 0.433 162 R N 0.395 120.915 120.500 0.035 0.000 2.139 162 R HA -0.177 4.163 4.340 0.000 0.000 0.243 162 R C 2.110 178.441 176.300 0.052 0.000 1.145 162 R CA 1.467 57.596 56.100 0.048 0.000 0.976 162 R CB -0.464 29.875 30.300 0.067 0.000 0.866 162 R HN 0.349 nan 8.270 nan 0.000 0.449 163 A N 1.485 124.338 122.820 0.055 0.000 2.235 163 A HA -0.089 4.231 4.320 0.000 0.000 0.208 163 A C 1.297 178.903 177.584 0.036 0.000 1.172 163 A CA 0.550 52.614 52.037 0.045 0.000 0.786 163 A CB -0.138 18.890 19.000 0.046 0.000 0.804 163 A HN 0.423 nan 8.150 nan 0.000 0.479 164 R N -1.577 118.945 120.500 0.037 0.000 2.544 164 R HA 0.253 4.594 4.340 0.000 0.000 0.426 164 R C 1.131 177.450 176.300 0.031 0.000 0.943 164 R CA 0.266 56.387 56.100 0.034 0.000 1.162 164 R CB -0.730 29.595 30.300 0.041 0.000 1.588 164 R HN 0.359 nan 8.270 nan 0.000 0.563 165 Q N 1.375 121.196 119.800 0.034 0.000 2.133 165 Q HA -0.211 4.129 4.340 0.000 0.000 0.208 165 Q C 1.301 177.314 176.000 0.023 0.000 0.991 165 Q CA 2.195 58.020 55.803 0.037 0.000 0.867 165 Q CB 0.192 28.963 28.738 0.055 0.000 0.911 165 Q HN 0.373 nan 8.270 nan 0.000 0.417 166 Q N -0.070 119.741 119.800 0.018 0.000 2.250 166 Q HA -0.054 4.286 4.340 0.000 0.000 0.200 166 Q C 1.733 177.729 176.000 -0.007 0.000 0.941 166 Q CA 0.929 56.735 55.803 0.006 0.000 0.872 166 Q CB -0.181 28.562 28.738 0.009 0.000 0.965 166 Q HN 0.387 nan 8.270 nan 0.000 0.480 167 K N 1.064 121.463 120.400 -0.002 0.000 2.044 167 K HA -0.279 4.041 4.320 0.000 0.000 0.210 167 K C 2.097 178.679 176.600 -0.030 0.000 1.049 167 K CA 1.758 58.037 56.287 -0.012 0.000 0.927 167 K CB 0.148 32.650 32.500 0.004 0.000 0.713 167 K HN -0.047 nan 8.250 nan 0.000 0.443 168 Q N 0.432 120.224 119.800 -0.013 0.000 2.061 168 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 168 Q C 1.840 177.806 176.000 -0.057 0.000 0.984 168 Q CA 2.155 57.943 55.803 -0.026 0.000 0.846 168 Q CB -0.567 28.174 28.738 0.007 0.000 0.902 168 Q HN 0.440 nan 8.270 nan 0.000 0.421 169 A N 0.612 123.407 122.820 -0.043 0.000 1.903 169 A HA -0.291 4.029 4.320 0.000 0.000 0.219 169 A C 2.036 179.585 177.584 -0.059 0.000 1.191 169 A CA 2.096 54.102 52.037 -0.051 0.000 0.638 169 A CB -0.583 18.393 19.000 -0.040 0.000 0.823 169 A HN 0.407 nan 8.150 nan 0.000 0.451 170 K N -0.771 119.595 120.400 -0.057 0.000 2.097 170 K HA 0.015 4.335 4.320 0.000 0.000 0.205 170 K C 1.923 178.466 176.600 -0.096 0.000 1.050 170 K CA 1.173 57.422 56.287 -0.063 0.000 0.938 170 K CB -0.328 32.142 32.500 -0.051 0.000 0.718 170 K HN 0.496 nan 8.250 nan 0.000 0.442 171 L N 0.512 121.654 121.223 -0.134 0.000 2.046 171 L HA -0.191 4.149 4.340 0.000 0.000 0.208 171 L C 2.408 179.149 176.870 -0.215 0.000 1.077 171 L CA 1.328 56.034 54.840 -0.224 0.000 0.747 171 L CB -0.697 41.158 42.059 -0.340 0.000 0.896 171 L HN 0.198 nan 8.230 nan 0.000 0.432 172 T N -0.756 113.693 114.554 -0.175 0.000 2.684 172 T HA -0.227 4.123 4.350 0.000 0.000 0.267 172 T C 1.718 176.348 174.700 -0.116 0.000 1.036 172 T CA 1.520 63.511 62.100 -0.182 0.000 1.148 172 T CB -0.194 68.569 68.868 -0.175 0.000 0.863 172 T HN 0.356 nan 8.240 nan 0.000 0.436 173 E N 0.659 120.814 120.200 -0.074 0.000 2.204 173 E HA -0.098 4.252 4.350 0.000 0.000 0.194 173 E C 1.502 178.073 176.600 -0.049 0.000 0.989 173 E CA 0.707 57.084 56.400 -0.039 0.000 0.824 173 E CB 0.023 29.704 29.700 -0.031 0.000 0.756 173 E HN 0.337 nan 8.360 nan 0.000 0.477 174 D N -0.730 119.623 120.400 -0.079 0.000 2.349 174 D HA 0.025 4.665 4.640 0.000 0.000 0.224 174 D C 0.851 177.106 176.300 -0.076 0.000 1.029 174 D CA 0.767 54.722 54.000 -0.076 0.000 0.879 174 D CB 0.641 41.383 40.800 -0.096 0.000 0.906 174 D HN 0.303 nan 8.370 nan 0.000 0.528 175 G N 0.861 109.602 108.800 -0.098 0.000 2.132 175 G HA2 -0.249 3.711 3.960 0.000 0.000 0.228 175 G HA3 -0.249 3.711 3.960 0.000 0.000 0.228 175 G C 0.210 175.031 174.900 -0.131 0.000 1.000 175 G CA -0.268 44.774 45.100 -0.097 0.000 0.693 175 G HN 0.340 nan 8.290 nan 0.000 0.515 176 L N 0.861 121.964 121.223 -0.200 0.000 2.502 176 L HA 0.356 4.696 4.340 0.000 0.000 0.247 176 L C -2.286 174.478 176.870 -0.176 0.000 1.180 176 L CA -2.076 52.653 54.840 -0.184 0.000 0.956 176 L CB 1.521 43.265 42.059 -0.526 0.000 1.282 176 L HN -0.104 nan 8.230 nan 0.000 0.470 177 P HA 0.157 nan 4.420 nan 0.000 0.272 177 P C -0.875 176.485 177.300 0.100 0.000 1.230 177 P CA -0.396 62.547 63.100 -0.261 0.000 0.788 177 P CB 0.991 32.289 31.700 -0.670 0.000 0.949 178 L N 1.447 122.682 121.223 0.019 0.000 2.341 178 L HA 0.776 5.116 4.340 0.000 0.000 0.278 178 L C -0.167 176.581 176.870 -0.202 0.000 1.005 178 L CA -0.209 54.643 54.840 0.020 0.000 0.818 178 L CB 1.178 43.243 42.059 0.009 0.000 1.259 178 L HN 0.475 nan 8.230 nan 0.000 0.418 179 G N 3.924 112.508 108.800 -0.360 0.000 2.420 179 G HA2 0.628 4.588 3.960 0.000 0.000 0.331 179 G HA3 0.628 4.588 3.960 0.000 0.000 0.331 179 G C -1.643 172.968 174.900 -0.480 0.000 1.168 179 G CA -0.524 43.964 45.100 -1.020 0.000 0.936 179 G HN 0.509 nan 8.290 nan 0.000 0.479 180 V N 2.298 121.971 119.914 -0.402 0.000 2.495 180 V HA 0.394 4.514 4.120 0.000 0.000 0.298 180 V C -0.536 175.492 176.094 -0.109 0.000 1.031 180 V CA -1.189 60.997 62.300 -0.190 0.000 0.871 180 V CB 1.745 33.492 31.823 -0.126 0.000 0.988 180 V HN 0.739 nan 8.190 nan 0.000 0.432 181 N N 5.372 124.029 118.700 -0.072 0.000 2.469 181 N HA 0.439 5.179 4.740 0.000 0.000 0.253 181 N C -1.073 174.414 175.510 -0.039 0.000 0.970 181 N CA -0.363 52.680 53.050 -0.012 0.000 0.940 181 N CB 1.180 39.676 38.487 0.016 0.000 1.128 181 N HN 0.621 nan 8.380 nan 0.000 0.503 182 L N 2.255 123.492 121.223 0.022 0.000 2.312 182 L HA 0.635 4.975 4.340 0.000 0.000 0.281 182 L C 1.247 178.127 176.870 0.015 0.000 1.070 182 L CA -0.715 54.129 54.840 0.006 0.000 0.805 182 L CB 1.497 43.641 42.059 0.143 0.000 1.174 182 L HN 0.508 nan 8.230 nan 0.000 0.434 183 G N 2.086 110.678 108.800 -0.347 0.000 3.211 183 G HA2 0.687 4.647 3.960 0.000 0.000 0.262 183 G HA3 0.687 4.647 3.960 0.000 0.000 0.262 183 G C -1.478 173.024 174.900 -0.663 0.000 1.352 183 G CA -0.626 44.136 45.100 -0.564 0.000 1.004 183 G HN 0.617 nan 8.290 nan 0.000 0.559 184 K N -0.935 119.245 120.400 -0.366 0.000 2.385 184 K HA 0.497 4.817 4.320 0.000 0.000 0.248 184 K C -0.735 175.857 176.600 -0.013 0.000 0.955 184 K CA -0.855 55.260 56.287 -0.286 0.000 0.816 184 K CB 2.015 34.355 32.500 -0.267 0.000 1.250 184 K HN 0.379 nan 8.250 nan 0.000 0.434 185 N N 1.622 120.296 118.700 -0.044 0.000 2.492 185 N HA -0.019 4.721 4.740 0.000 0.000 0.260 185 N C 0.538 176.089 175.510 0.068 0.000 1.215 185 N CA -0.232 52.836 53.050 0.029 0.000 0.923 185 N CB 0.947 39.433 38.487 -0.003 0.000 1.092 185 N HN 0.603 nan 8.380 nan 0.000 0.448 186 K N 0.702 121.157 120.400 0.092 0.000 2.034 186 K HA -0.253 4.067 4.320 0.000 0.000 0.214 186 K C 1.686 178.314 176.600 0.047 0.000 1.051 186 K CA 2.249 58.579 56.287 0.073 0.000 0.931 186 K CB -0.312 32.228 32.500 0.067 0.000 0.715 186 K HN 0.800 nan 8.250 nan 0.000 0.446 187 T N -1.316 113.260 114.554 0.036 0.000 2.904 187 T HA -0.064 4.286 4.350 0.000 0.000 0.267 187 T C 1.181 175.894 174.700 0.022 0.000 1.059 187 T CA 0.689 62.804 62.100 0.026 0.000 1.137 187 T CB -0.319 68.561 68.868 0.020 0.000 0.879 187 T HN 0.197 nan 8.240 nan 0.000 0.467 188 S N 0.872 116.583 115.700 0.018 0.000 3.074 188 S HA -0.025 4.445 4.470 0.000 0.000 0.359 188 S C 1.295 175.907 174.600 0.020 0.000 1.207 188 S CA -0.217 57.990 58.200 0.010 0.000 1.061 188 S CB 0.066 63.263 63.200 -0.006 0.000 0.769 188 S HN 0.273 nan 8.310 nan 0.000 0.512 189 V N 3.539 123.463 119.914 0.018 0.000 2.427 189 V HA -0.019 4.101 4.120 0.000 0.000 0.248 189 V C 1.136 177.248 176.094 0.029 0.000 1.051 189 V CA 1.949 64.262 62.300 0.022 0.000 1.048 189 V CB -0.357 31.477 31.823 0.018 0.000 0.666 189 V HN 0.918 nan 8.190 nan 0.000 0.456 190 D N -1.183 119.234 120.400 0.028 0.000 2.453 190 D HA 0.484 5.124 4.640 0.000 0.000 0.238 190 D C 0.736 177.067 176.300 0.053 0.000 1.088 190 D CA 0.377 54.401 54.000 0.039 0.000 0.854 190 D CB 1.728 42.547 40.800 0.032 0.000 1.076 190 D HN 0.097 nan 8.370 nan 0.000 0.533 191 A N 3.653 126.524 122.820 0.086 0.000 1.898 191 A HA -0.005 4.315 4.320 0.000 0.000 0.216 191 A C 2.033 179.750 177.584 0.222 0.000 1.181 191 A CA 1.704 53.828 52.037 0.144 0.000 0.620 191 A CB -0.512 18.614 19.000 0.209 0.000 0.819 191 A HN 0.607 nan 8.150 nan 0.000 0.442 192 A N -0.551 122.380 122.820 0.185 0.000 2.015 192 A HA -0.094 4.226 4.320 0.000 0.000 0.219 192 A C 1.935 179.613 177.584 0.157 0.000 1.163 192 A CA 2.068 54.220 52.037 0.192 0.000 0.646 192 A CB -0.344 18.719 19.000 0.106 0.000 0.806 192 A HN 0.532 nan 8.150 nan 0.000 0.448 193 E N 0.584 120.840 120.200 0.093 0.000 2.112 193 E HA -0.104 4.246 4.350 0.000 0.000 0.190 193 E C 1.251 177.866 176.600 0.026 0.000 0.979 193 E CA 1.347 57.778 56.400 0.053 0.000 0.814 193 E CB -0.287 29.432 29.700 0.030 0.000 0.762 193 E HN 0.495 nan 8.360 nan 0.000 0.460 194 D N -0.514 119.875 120.400 -0.018 0.000 2.092 194 D HA -0.188 4.452 4.640 0.000 0.000 0.193 194 D C 1.657 177.872 176.300 -0.141 0.000 0.994 194 D CA 1.379 55.301 54.000 -0.130 0.000 0.828 194 D CB -0.467 40.175 40.800 -0.262 0.000 0.963 194 D HN 0.335 nan 8.370 nan 0.000 0.450 195 Y N 0.815 121.114 120.300 -0.001 0.000 2.274 195 Y HA -0.114 4.436 4.550 0.000 0.000 0.290 195 Y C 2.419 178.316 175.900 -0.005 0.000 1.145 195 Y CA 0.868 58.965 58.100 -0.005 0.000 1.203 195 Y CB -0.267 38.199 38.460 0.009 0.000 0.984 195 Y HN -0.062 nan 8.280 nan 0.000 0.533 196 A N 0.236 123.144 122.820 0.148 0.000 1.908 196 A HA -0.254 4.067 4.320 0.000 0.000 0.218 196 A C 2.028 179.637 177.584 0.043 0.000 1.181 196 A CA 1.966 54.053 52.037 0.083 0.000 0.627 196 A CB -0.641 18.395 19.000 0.061 0.000 0.818 196 A HN 0.501 nan 8.150 nan 0.000 0.445 197 E N -0.925 119.284 120.200 0.015 0.000 2.110 197 E HA -0.122 4.228 4.350 0.000 0.000 0.193 197 E C 2.097 178.688 176.600 -0.015 0.000 0.988 197 E CA 0.769 57.162 56.400 -0.011 0.000 0.804 197 E CB -0.319 29.360 29.700 -0.034 0.000 0.745 197 E HN 0.625 nan 8.360 nan 0.000 0.458 198 G N 0.316 109.111 108.800 -0.009 0.000 2.408 198 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 198 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 198 G C 1.666 176.571 174.900 0.009 0.000 1.150 198 G CA 0.647 45.740 45.100 -0.011 0.000 0.776 198 G HN 0.138 nan 8.290 nan 0.000 0.542 199 V N 0.411 120.346 119.914 0.035 0.000 2.358 199 V HA -0.130 3.990 4.120 0.000 0.000 0.246 199 V C 2.910 179.014 176.094 0.018 0.000 1.047 199 V CA 1.841 64.163 62.300 0.037 0.000 1.035 199 V CB -0.421 31.431 31.823 0.050 0.000 0.658 199 V HN 0.291 nan 8.190 nan 0.000 0.452 200 R N -0.557 119.949 120.500 0.009 0.000 2.066 200 R HA -0.087 4.253 4.340 0.000 0.000 0.232 200 R C 2.212 178.501 176.300 -0.019 0.000 1.131 200 R CA 1.458 57.556 56.100 -0.003 0.000 0.955 200 R CB -0.352 29.945 30.300 -0.006 0.000 0.851 200 R HN 0.414 nan 8.270 nan 0.000 0.432 201 V N 0.746 120.643 119.914 -0.028 0.000 2.346 201 V HA -0.123 3.998 4.120 0.000 0.000 0.244 201 V C 2.074 178.141 176.094 -0.045 0.000 1.037 201 V CA 1.436 63.708 62.300 -0.047 0.000 1.029 201 V CB -0.163 31.623 31.823 -0.063 0.000 0.663 201 V HN 0.261 nan 8.190 nan 0.000 0.454 202 L N -0.383 120.820 121.223 -0.033 0.000 2.425 202 L HA 0.270 4.610 4.340 0.000 0.000 0.215 202 L C 2.613 179.480 176.870 -0.005 0.000 1.065 202 L CA 0.913 55.736 54.840 -0.029 0.000 0.842 202 L CB -1.008 41.026 42.059 -0.042 0.000 1.033 202 L HN 0.422 nan 8.230 nan 0.000 0.474 203 G N 2.237 111.042 108.800 0.008 0.000 2.663 203 G HA2 -0.275 3.685 3.960 0.000 0.000 0.222 203 G HA3 -0.275 3.685 3.960 0.000 0.000 0.222 203 G C -0.876 174.062 174.900 0.064 0.000 1.146 203 G CA 1.258 46.378 45.100 0.033 0.000 0.764 203 G HN 0.318 nan 8.290 nan 0.000 0.608 204 P HA 0.079 nan 4.420 nan 0.000 0.230 204 P C 1.396 178.840 177.300 0.241 0.000 1.158 204 P CA 0.620 63.820 63.100 0.167 0.000 0.769 204 P CB -0.019 31.679 31.700 -0.002 0.000 0.807 205 L N -2.259 119.024 121.223 0.101 0.000 2.667 205 L HA 0.351 4.691 4.340 0.000 0.000 0.232 205 L C 0.814 177.694 176.870 0.017 0.000 1.138 205 L CA -0.368 54.513 54.840 0.069 0.000 0.921 205 L CB -0.043 42.032 42.059 0.027 0.000 1.180 205 L HN -0.146 nan 8.230 nan 0.000 0.487 206 A N -1.074 121.751 122.820 0.009 0.000 2.386 206 A HA 0.435 4.755 4.320 0.000 0.000 0.311 206 A C -0.056 177.512 177.584 -0.028 0.000 1.068 206 A CA -0.571 51.437 52.037 -0.048 0.000 0.743 206 A CB 1.133 20.088 19.000 -0.074 0.000 1.258 206 A HN 0.013 nan 8.150 nan 0.000 0.429 207 D N -0.166 120.186 120.400 -0.081 0.000 2.162 207 D HA 0.071 4.711 4.640 0.000 0.000 0.205 207 D C -0.076 176.330 176.300 0.178 0.000 0.964 207 D CA 2.111 56.097 54.000 -0.024 0.000 0.847 207 D CB 0.086 40.672 40.800 -0.357 0.000 0.988 207 D HN 0.662 nan 8.370 nan 0.000 0.480 208 Y N -1.056 119.278 120.300 0.056 0.000 2.524 208 Y HA 0.590 5.140 4.550 0.000 0.000 0.347 208 Y C -1.268 174.670 175.900 0.062 0.000 1.005 208 Y CA -1.241 56.906 58.100 0.078 0.000 1.025 208 Y CB 1.141 39.655 38.460 0.090 0.000 1.275 208 Y HN -0.323 nan 8.280 nan 0.000 0.460 209 L N 3.550 124.866 121.223 0.155 0.000 2.331 209 L HA 0.736 5.076 4.340 0.000 0.000 0.275 209 L C -1.075 175.911 176.870 0.194 0.000 1.022 209 L CA -1.469 53.416 54.840 0.075 0.000 0.812 209 L CB 2.108 44.210 42.059 0.072 0.000 1.257 209 L HN 0.666 nan 8.230 nan 0.000 0.435 210 V N 3.291 123.286 119.914 0.137 0.000 2.407 210 V HA 0.224 4.345 4.120 0.000 0.000 0.291 210 V C -0.006 176.154 176.094 0.110 0.000 1.018 210 V CA -0.686 61.711 62.300 0.162 0.000 0.842 210 V CB 1.862 33.806 31.823 0.203 0.000 0.996 210 V HN 0.394 nan 8.190 nan 0.000 0.426 211 V N 4.626 124.573 119.914 0.055 0.000 2.352 211 V HA 0.138 4.258 4.120 0.000 0.000 0.253 211 V C 0.668 176.762 176.094 -0.000 0.000 1.083 211 V CA -0.192 62.081 62.300 -0.046 0.000 0.993 211 V CB 0.406 32.101 31.823 -0.213 0.000 1.111 211 V HN 0.875 nan 8.190 nan 0.000 0.490 212 N N 5.137 123.929 118.700 0.153 0.000 2.448 212 N HA 0.112 4.852 4.740 0.000 0.000 0.250 212 N C 0.272 175.929 175.510 0.244 0.000 1.136 212 N CA -0.286 52.888 53.050 0.207 0.000 0.953 212 N CB 1.302 39.951 38.487 0.270 0.000 1.251 212 N HN 0.485 nan 8.380 nan 0.000 0.502 213 V N 1.219 121.205 119.914 0.120 0.000 3.043 213 V HA 0.319 4.439 4.120 0.000 0.000 0.357 213 V C 0.703 176.864 176.094 0.111 0.000 1.372 213 V CA 0.292 62.666 62.300 0.124 0.000 1.214 213 V CB -0.567 31.263 31.823 0.013 0.000 1.224 213 V HN 0.561 nan 8.190 nan 0.000 0.507 214 S N -1.458 114.318 115.700 0.127 0.000 2.701 214 S HA 0.257 4.727 4.470 0.000 0.000 0.242 214 S C 0.766 175.411 174.600 0.075 0.000 1.025 214 S CA 0.402 58.654 58.200 0.086 0.000 1.016 214 S CB 0.158 63.402 63.200 0.074 0.000 0.977 214 S HN 0.736 nan 8.310 nan 0.000 0.546 215 S N 3.506 119.255 115.700 0.082 0.000 2.533 215 S HA 0.257 4.727 4.470 0.000 0.000 0.282 215 S C -1.104 173.465 174.600 -0.052 0.000 1.304 215 S CA -0.947 57.245 58.200 -0.013 0.000 1.063 215 S CB 0.776 63.852 63.200 -0.207 0.000 0.881 215 S HN 0.208 nan 8.310 nan 0.000 0.493 216 P HA -0.034 nan 4.420 nan 0.000 0.221 216 P C 0.315 177.574 177.300 -0.068 0.000 1.150 216 P CA 0.970 64.049 63.100 -0.035 0.000 0.800 216 P CB -0.027 31.666 31.700 -0.012 0.000 0.787 217 N N -0.624 118.001 118.700 -0.126 0.000 2.270 217 N HA 0.041 4.782 4.740 0.000 0.000 0.198 217 N C -0.205 175.208 175.510 -0.161 0.000 1.117 217 N CA 0.529 53.505 53.050 -0.124 0.000 0.845 217 N CB 0.213 38.637 38.487 -0.104 0.000 0.980 217 N HN 0.115 nan 8.380 nan 0.000 0.486 218 T N 0.672 115.111 114.554 -0.192 0.000 2.912 218 T HA 0.413 4.763 4.350 0.000 0.000 0.326 218 T C 0.145 174.812 174.700 -0.055 0.000 1.080 218 T CA -0.717 61.294 62.100 -0.147 0.000 1.000 218 T CB 1.565 70.286 68.868 -0.245 0.000 1.008 218 T HN 0.172 nan 8.240 nan 0.000 0.473 219 A N 2.149 124.954 122.820 -0.026 0.000 2.407 219 A HA 0.294 4.614 4.320 0.000 0.000 0.303 219 A C 1.768 179.360 177.584 0.013 0.000 0.910 219 A CA 1.005 53.041 52.037 -0.003 0.000 1.219 219 A CB -1.244 17.759 19.000 0.006 0.000 0.726 219 A HN 1.983 nan 8.150 nan 0.000 0.375 220 G N 1.256 110.065 108.800 0.015 0.000 2.225 220 G HA2 -0.288 3.672 3.960 0.000 0.000 0.254 220 G HA3 -0.288 3.672 3.960 0.000 0.000 0.254 220 G C 0.869 175.796 174.900 0.045 0.000 0.988 220 G CA 0.800 45.917 45.100 0.029 0.000 0.625 220 G HN 1.585 nan 8.290 nan 0.000 0.527 221 L N 0.795 122.047 121.223 0.049 0.000 1.990 221 L HA 0.058 4.398 4.340 0.000 0.000 0.213 221 L C 2.855 179.771 176.870 0.077 0.000 1.072 221 L CA 3.087 57.979 54.840 0.086 0.000 0.755 221 L CB -0.495 41.613 42.059 0.082 0.000 0.889 221 L HN 0.406 nan 8.230 nan 0.000 0.432 222 R N -0.828 119.701 120.500 0.047 0.000 2.159 222 R HA -0.133 4.207 4.340 0.000 0.000 0.237 222 R C 2.291 178.612 176.300 0.035 0.000 1.131 222 R CA 1.284 57.408 56.100 0.040 0.000 0.982 222 R CB -0.541 29.775 30.300 0.026 0.000 0.868 222 R HN 0.651 nan 8.270 nan 0.000 0.453 223 S N 0.492 116.213 115.700 0.035 0.000 2.555 223 S HA -0.008 4.462 4.470 0.000 0.000 0.230 223 S C 1.743 176.363 174.600 0.032 0.000 0.978 223 S CA 0.502 58.720 58.200 0.030 0.000 0.934 223 S CB -0.213 63.003 63.200 0.027 0.000 0.766 223 S HN 0.264 nan 8.310 nan 0.000 0.533 224 L N 0.643 121.892 121.223 0.043 0.000 2.456 224 L HA -0.009 4.331 4.340 0.000 0.000 0.224 224 L C 2.600 179.478 176.870 0.013 0.000 1.148 224 L CA 0.744 55.606 54.840 0.035 0.000 0.825 224 L CB -0.589 41.502 42.059 0.053 0.000 0.937 224 L HN 0.433 nan 8.230 nan 0.000 0.450 225 Q N 0.437 120.248 119.800 0.017 0.000 2.436 225 Q HA 0.018 4.358 4.340 0.000 0.000 0.209 225 Q C 1.239 177.242 176.000 0.006 0.000 0.965 225 Q CA 0.337 56.146 55.803 0.009 0.000 0.910 225 Q CB -0.206 28.541 28.738 0.015 0.000 0.980 225 Q HN 0.509 nan 8.270 nan 0.000 0.491 226 G N 1.362 110.167 108.800 0.009 0.000 2.432 226 G HA2 -0.069 3.891 3.960 0.000 0.000 0.239 226 G HA3 -0.069 3.891 3.960 0.000 0.000 0.239 226 G C 0.453 175.355 174.900 0.003 0.000 1.291 226 G CA -0.300 44.804 45.100 0.008 0.000 0.863 226 G HN 0.136 nan 8.290 nan 0.000 0.560 227 K N 1.969 122.370 120.400 0.002 0.000 2.013 227 K HA -0.269 4.051 4.320 0.000 0.000 0.225 227 K C 2.739 179.338 176.600 -0.001 0.000 1.056 227 K CA 2.300 58.586 56.287 -0.001 0.000 0.971 227 K CB -0.361 32.139 32.500 -0.000 0.000 0.731 227 K HN 0.524 nan 8.250 nan 0.000 0.450 228 A N 0.595 123.416 122.820 0.002 0.000 1.902 228 A HA -0.232 4.088 4.320 0.000 0.000 0.217 228 A C 2.054 179.641 177.584 0.005 0.000 1.181 228 A CA 2.083 54.122 52.037 0.004 0.000 0.623 228 A CB -0.651 18.353 19.000 0.006 0.000 0.818 228 A HN 0.668 nan 8.150 nan 0.000 0.443 229 E N -0.803 119.402 120.200 0.008 0.000 2.152 229 E HA -0.125 4.225 4.350 0.000 0.000 0.192 229 E C 1.819 178.422 176.600 0.004 0.000 0.983 229 E CA 1.033 57.440 56.400 0.012 0.000 0.818 229 E CB -0.150 29.561 29.700 0.018 0.000 0.758 229 E HN 0.498 nan 8.360 nan 0.000 0.467 230 L N 0.782 122.002 121.223 -0.005 0.000 2.131 230 L HA -0.012 4.328 4.340 0.000 0.000 0.206 230 L C 2.383 179.239 176.870 -0.023 0.000 1.087 230 L CA 1.454 56.282 54.840 -0.021 0.000 0.767 230 L CB -0.276 41.770 42.059 -0.021 0.000 0.917 230 L HN -0.007 nan 8.230 nan 0.000 0.441 231 R N -0.238 120.254 120.500 -0.013 0.000 2.075 231 R HA -0.186 4.154 4.340 0.000 0.000 0.232 231 R C 2.543 178.839 176.300 -0.007 0.000 1.126 231 R CA 1.591 57.684 56.100 -0.011 0.000 0.963 231 R CB -0.330 29.966 30.300 -0.007 0.000 0.858 231 R HN 0.423 nan 8.270 nan 0.000 0.435 232 R N 0.592 121.091 120.500 -0.002 0.000 2.075 232 R HA -0.135 4.206 4.340 0.000 0.000 0.232 232 R C 2.381 178.685 176.300 0.006 0.000 1.126 232 R CA 1.455 57.558 56.100 0.005 0.000 0.963 232 R CB -0.458 29.849 30.300 0.012 0.000 0.858 232 R HN 0.304 nan 8.270 nan 0.000 0.435 233 L N 1.140 122.363 121.223 -0.000 0.000 2.012 233 L HA -0.114 4.226 4.340 0.000 0.000 0.210 233 L C 1.975 178.827 176.870 -0.029 0.000 1.073 233 L CA 1.734 56.569 54.840 -0.009 0.000 0.748 233 L CB -0.249 41.785 42.059 -0.040 0.000 0.891 233 L HN 0.256 nan 8.230 nan 0.000 0.431 234 L N -1.421 119.778 121.223 -0.040 0.000 2.418 234 L HA -0.060 4.280 4.340 0.000 0.000 0.218 234 L C 2.221 179.081 176.870 -0.016 0.000 1.125 234 L CA 0.771 55.588 54.840 -0.040 0.000 0.835 234 L CB -0.780 41.252 42.059 -0.045 0.000 0.953 234 L HN 0.257 nan 8.230 nan 0.000 0.454 235 T N -0.129 114.420 114.554 -0.008 0.000 2.652 235 T HA -0.262 4.089 4.350 0.000 0.000 0.267 235 T C 1.945 176.649 174.700 0.007 0.000 1.039 235 T CA 1.611 63.711 62.100 0.000 0.000 1.153 235 T CB -0.052 68.817 68.868 0.002 0.000 0.863 235 T HN 0.222 nan 8.240 nan 0.000 0.428 236 K N 0.578 120.985 120.400 0.012 0.000 2.057 236 K HA -0.074 4.246 4.320 0.000 0.000 0.207 236 K C 2.219 178.835 176.600 0.027 0.000 1.049 236 K CA 0.958 57.258 56.287 0.022 0.000 0.931 236 K CB -0.305 32.215 32.500 0.033 0.000 0.714 236 K HN 0.123 nan 8.250 nan 0.000 0.440 237 V N 1.725 121.652 119.914 0.022 0.000 2.287 237 V HA -0.280 3.840 4.120 0.000 0.000 0.248 237 V C 2.316 178.424 176.094 0.023 0.000 1.053 237 V CA 1.704 64.021 62.300 0.027 0.000 1.027 237 V CB -0.427 31.399 31.823 0.005 0.000 0.646 237 V HN 0.354 nan 8.190 nan 0.000 0.447 238 L N -0.723 120.508 121.223 0.013 0.000 2.083 238 L HA -0.240 4.100 4.340 0.000 0.000 0.209 238 L C 2.667 179.548 176.870 0.018 0.000 1.083 238 L CA 1.697 56.546 54.840 0.014 0.000 0.752 238 L CB -0.471 41.592 42.059 0.007 0.000 0.899 238 L HN 0.421 nan 8.230 nan 0.000 0.433 239 Q N -0.434 119.376 119.800 0.017 0.000 2.046 239 Q HA -0.202 4.138 4.340 0.000 0.000 0.200 239 Q C 2.181 178.193 176.000 0.019 0.000 0.975 239 Q CA 1.291 57.104 55.803 0.016 0.000 0.836 239 Q CB 0.193 28.941 28.738 0.015 0.000 0.896 239 Q HN 0.373 nan 8.270 nan 0.000 0.428 240 E N 0.404 120.618 120.200 0.023 0.000 2.023 240 E HA -0.238 4.112 4.350 0.000 0.000 0.196 240 E C 1.957 178.573 176.600 0.027 0.000 1.003 240 E CA 0.834 57.249 56.400 0.025 0.000 0.809 240 E CB -0.392 29.326 29.700 0.031 0.000 0.755 240 E HN 0.227 nan 8.360 nan 0.000 0.449 241 R N 1.164 121.683 120.500 0.032 0.000 2.134 241 R HA -0.197 4.143 4.340 0.000 0.000 0.248 241 R C 1.545 177.866 176.300 0.035 0.000 1.143 241 R CA 1.892 58.015 56.100 0.037 0.000 0.957 241 R CB -0.585 29.739 30.300 0.040 0.000 0.867 241 R HN 0.151 nan 8.270 nan 0.000 0.441 242 D N -1.061 119.356 120.400 0.028 0.000 2.221 242 D HA -0.108 4.532 4.640 0.000 0.000 0.204 242 D C 1.564 177.877 176.300 0.023 0.000 0.982 242 D CA 1.494 55.509 54.000 0.024 0.000 0.857 242 D CB -0.481 40.330 40.800 0.018 0.000 0.934 242 D HN 0.519 nan 8.370 nan 0.000 0.475 243 G N -0.181 108.631 108.800 0.021 0.000 2.848 243 G HA2 0.064 4.025 3.960 0.000 0.000 0.208 243 G HA3 0.064 4.025 3.960 0.000 0.000 0.208 243 G C 0.719 175.631 174.900 0.020 0.000 1.152 243 G CA -0.127 44.983 45.100 0.018 0.000 0.789 243 G HN 0.180 nan 8.290 nan 0.000 0.531 244 L N 1.075 122.316 121.223 0.029 0.000 2.399 244 L HA 0.385 4.725 4.340 0.000 0.000 0.266 244 L C 0.543 177.444 176.870 0.052 0.000 1.114 244 L CA -1.084 53.778 54.840 0.037 0.000 0.804 244 L CB 0.905 42.997 42.059 0.054 0.000 1.146 244 L HN 0.099 nan 8.230 nan 0.000 0.451 245 R N 1.334 121.873 120.500 0.064 0.000 2.734 245 R HA 0.023 4.363 4.340 0.000 0.000 0.266 245 R C 0.926 177.285 176.300 0.099 0.000 1.044 245 R CA -0.402 55.745 56.100 0.079 0.000 1.128 245 R CB 0.406 30.767 30.300 0.101 0.000 1.010 245 R HN 0.566 nan 8.270 nan 0.000 0.461 246 R N 1.421 121.961 120.500 0.067 0.000 2.162 246 R HA -0.216 4.125 4.340 0.000 0.000 0.245 246 R C 1.758 178.081 176.300 0.037 0.000 1.129 246 R CA 2.441 58.568 56.100 0.044 0.000 0.940 246 R CB -0.691 29.625 30.300 0.026 0.000 0.875 246 R HN 0.526 nan 8.270 nan 0.000 0.437 247 V N 0.023 119.957 119.914 0.032 0.000 2.720 247 V HA -0.163 3.957 4.120 0.000 0.000 0.256 247 V C 1.290 177.279 176.094 -0.175 0.000 1.082 247 V CA 1.725 63.985 62.300 -0.067 0.000 1.101 247 V CB -0.675 31.090 31.823 -0.096 0.000 0.693 247 V HN 0.462 nan 8.190 nan 0.000 0.479 248 H N -0.368 118.718 119.070 0.027 0.000 2.486 248 H HA 0.331 4.887 4.556 0.000 0.000 0.284 248 H C 0.688 176.035 175.328 0.032 0.000 1.103 248 H CA -0.214 55.851 56.048 0.027 0.000 1.089 248 H CB 0.416 30.188 29.762 0.017 0.000 1.603 248 H HN 0.295 nan 8.280 nan 0.000 0.557 249 R N 3.112 123.680 120.500 0.113 0.000 2.280 249 R HA 0.197 4.537 4.340 0.000 0.000 0.326 249 R C -2.579 173.774 176.300 0.088 0.000 1.080 249 R CA -1.437 54.716 56.100 0.088 0.000 1.002 249 R CB 0.827 31.166 30.300 0.065 0.000 1.136 249 R HN 0.133 nan 8.270 nan 0.000 0.509 250 P HA 0.270 nan 4.420 nan 0.000 0.280 250 P C -1.066 176.313 177.300 0.132 0.000 1.272 250 P CA -0.580 62.596 63.100 0.127 0.000 0.819 250 P CB 1.239 33.002 31.700 0.105 0.000 1.122 251 A N 0.589 123.520 122.820 0.185 0.000 2.351 251 A HA 0.476 4.796 4.320 0.000 0.000 0.257 251 A C -0.263 177.426 177.584 0.174 0.000 1.087 251 A CA -0.363 51.770 52.037 0.160 0.000 0.798 251 A CB 0.025 19.126 19.000 0.169 0.000 1.033 251 A HN 0.333 nan 8.150 nan 0.000 0.488 252 V N 2.859 122.840 119.914 0.111 0.000 2.448 252 V HA 0.503 4.623 4.120 0.000 0.000 0.295 252 V C -0.671 175.463 176.094 0.065 0.000 1.025 252 V CA -0.230 62.127 62.300 0.095 0.000 0.859 252 V CB 0.969 32.825 31.823 0.055 0.000 0.988 252 V HN 0.742 nan 8.190 nan 0.000 0.431 253 L N 4.876 126.149 121.223 0.083 0.000 2.309 253 L HA 0.728 5.068 4.340 0.000 0.000 0.261 253 L C -0.404 176.487 176.870 0.035 0.000 1.021 253 L CA -0.712 54.152 54.840 0.039 0.000 0.823 253 L CB 2.162 44.235 42.059 0.024 0.000 1.366 253 L HN 0.330 nan 8.230 nan 0.000 0.423 254 V N 0.897 120.818 119.914 0.011 0.000 2.417 254 V HA 0.438 4.558 4.120 0.000 0.000 0.291 254 V C -0.225 175.885 176.094 0.025 0.000 1.024 254 V CA -0.844 61.458 62.300 0.003 0.000 0.861 254 V CB 1.561 33.372 31.823 -0.019 0.000 0.985 254 V HN 0.652 nan 8.190 nan 0.000 0.436 255 K N 6.243 126.671 120.400 0.048 0.000 2.253 255 K HA 0.609 4.929 4.320 0.000 0.000 0.277 255 K C -0.386 176.248 176.600 0.056 0.000 1.053 255 K CA -0.459 55.867 56.287 0.064 0.000 0.892 255 K CB 0.825 33.384 32.500 0.099 0.000 1.102 255 K HN 0.791 nan 8.250 nan 0.000 0.469 256 I N 0.828 121.425 120.570 0.045 0.000 2.707 256 I HA 0.631 4.801 4.170 0.000 0.000 0.309 256 I C -0.176 175.968 176.117 0.044 0.000 1.001 256 I CA -1.111 60.212 61.300 0.039 0.000 1.129 256 I CB 1.870 39.885 38.000 0.026 0.000 1.308 256 I HN 0.621 nan 8.210 nan 0.000 0.466 257 A N 5.020 127.864 122.820 0.040 0.000 2.386 257 A HA 0.472 4.792 4.320 0.000 0.000 0.248 257 A C -1.590 176.013 177.584 0.031 0.000 1.082 257 A CA -1.371 50.688 52.037 0.037 0.000 0.789 257 A CB -0.358 18.661 19.000 0.032 0.000 1.025 257 A HN 0.778 nan 8.150 nan 0.000 0.490 258 P HA -0.025 nan 4.420 nan 0.000 0.241 258 P C -0.206 177.107 177.300 0.020 0.000 1.191 258 P CA 0.799 63.914 63.100 0.026 0.000 0.771 258 P CB 0.238 31.953 31.700 0.026 0.000 0.929 259 D N 0.116 120.527 120.400 0.019 0.000 2.460 259 D HA 0.180 4.820 4.640 0.000 0.000 0.229 259 D C 0.588 176.897 176.300 0.014 0.000 1.170 259 D CA -0.037 53.972 54.000 0.015 0.000 0.827 259 D CB 0.129 40.937 40.800 0.013 0.000 0.973 259 D HN 0.257 nan 8.370 nan 0.000 0.496 260 L N 1.112 122.344 121.223 0.016 0.000 2.350 260 L HA 0.165 4.505 4.340 0.000 0.000 0.275 260 L C 1.461 178.339 176.870 0.013 0.000 1.099 260 L CA -0.435 54.414 54.840 0.015 0.000 0.808 260 L CB 1.072 43.141 42.059 0.016 0.000 1.149 260 L HN -0.022 nan 8.230 nan 0.000 0.442 261 T N -1.047 113.513 114.554 0.011 0.000 2.748 261 T HA 0.033 4.384 4.350 0.000 0.000 0.304 261 T C 1.179 175.885 174.700 0.011 0.000 1.041 261 T CA -0.453 61.653 62.100 0.010 0.000 1.033 261 T CB 0.946 69.819 68.868 0.008 0.000 0.995 261 T HN 0.561 nan 8.240 nan 0.000 0.536 262 S N 0.164 115.870 115.700 0.010 0.000 2.423 262 S HA -0.104 4.366 4.470 0.000 0.000 0.231 262 S C 2.038 176.644 174.600 0.009 0.000 1.014 262 S CA 1.144 59.351 58.200 0.011 0.000 0.965 262 S CB -0.541 62.666 63.200 0.011 0.000 0.785 262 S HN 0.847 nan 8.310 nan 0.000 0.495 263 Q N 1.926 121.731 119.800 0.007 0.000 2.050 263 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 263 Q C 1.283 177.286 176.000 0.005 0.000 0.980 263 Q CA 1.873 57.680 55.803 0.006 0.000 0.840 263 Q CB -0.441 28.300 28.738 0.005 0.000 0.898 263 Q HN 0.320 nan 8.270 nan 0.000 0.424 264 D N 0.077 120.482 120.400 0.007 0.000 2.116 264 D HA -0.186 4.454 4.640 0.000 0.000 0.193 264 D C 1.691 177.995 176.300 0.006 0.000 0.998 264 D CA 1.595 55.599 54.000 0.007 0.000 0.836 264 D CB -0.094 40.712 40.800 0.009 0.000 0.951 264 D HN 0.374 nan 8.370 nan 0.000 0.449 265 K N 0.482 120.887 120.400 0.008 0.000 2.007 265 K HA -0.083 4.237 4.320 0.000 0.000 0.206 265 K C 2.135 178.737 176.600 0.004 0.000 1.047 265 K CA 0.736 57.028 56.287 0.009 0.000 0.937 265 K CB -0.116 32.393 32.500 0.015 0.000 0.718 265 K HN 0.163 nan 8.250 nan 0.000 0.438 266 E N 1.048 121.250 120.200 0.004 0.000 2.119 266 E HA -0.280 4.070 4.350 0.000 0.000 0.221 266 E C 1.793 178.391 176.600 -0.004 0.000 1.062 266 E CA 2.037 58.437 56.400 -0.000 0.000 0.894 266 E CB -0.153 29.548 29.700 0.001 0.000 0.785 266 E HN 0.277 nan 8.360 nan 0.000 0.472 267 D N 0.200 120.598 120.400 -0.002 0.000 2.078 267 D HA -0.146 4.494 4.640 0.000 0.000 0.193 267 D C 2.127 178.423 176.300 -0.007 0.000 0.990 267 D CA 0.922 54.919 54.000 -0.004 0.000 0.827 267 D CB -0.434 40.365 40.800 -0.002 0.000 0.975 267 D HN 0.195 nan 8.370 nan 0.000 0.451 268 I N 1.455 122.022 120.570 -0.005 0.000 2.145 268 I HA -0.342 3.828 4.170 0.000 0.000 0.244 268 I C 2.529 178.638 176.117 -0.013 0.000 1.075 268 I CA 1.365 62.660 61.300 -0.008 0.000 1.332 268 I CB -0.288 37.710 38.000 -0.004 0.000 1.033 268 I HN -0.058 nan 8.210 nan 0.000 0.410 269 A N -0.305 122.508 122.820 -0.012 0.000 1.883 269 A HA -0.279 4.041 4.320 0.000 0.000 0.217 269 A C 2.497 180.066 177.584 -0.025 0.000 1.186 269 A CA 2.442 54.467 52.037 -0.020 0.000 0.624 269 A CB -0.896 18.092 19.000 -0.020 0.000 0.822 269 A HN 0.445 nan 8.150 nan 0.000 0.444 270 S N -0.674 115.014 115.700 -0.019 0.000 2.355 270 S HA -0.124 4.346 4.470 0.000 0.000 0.222 270 S C 1.920 176.508 174.600 -0.019 0.000 1.031 270 S CA 1.632 59.820 58.200 -0.020 0.000 0.993 270 S CB -0.594 62.598 63.200 -0.014 0.000 0.859 270 S HN 0.326 nan 8.310 nan 0.000 0.453 271 V N 1.597 121.501 119.914 -0.017 0.000 2.392 271 V HA -0.129 3.991 4.120 0.000 0.000 0.249 271 V C 2.501 178.583 176.094 -0.020 0.000 1.059 271 V CA 1.775 64.065 62.300 -0.016 0.000 1.051 271 V CB -0.842 30.972 31.823 -0.015 0.000 0.658 271 V HN 0.422 nan 8.190 nan 0.000 0.455 272 V N -0.482 119.419 119.914 -0.023 0.000 2.295 272 V HA -0.268 3.852 4.120 0.000 0.000 0.246 272 V C 2.492 178.569 176.094 -0.029 0.000 1.049 272 V CA 2.135 64.419 62.300 -0.027 0.000 1.024 272 V CB -0.567 31.238 31.823 -0.030 0.000 0.648 272 V HN 0.514 nan 8.190 nan 0.000 0.447 273 K N -0.445 119.935 120.400 -0.033 0.000 2.057 273 K HA -0.222 4.099 4.320 0.000 0.000 0.207 273 K C 2.222 178.806 176.600 -0.028 0.000 1.049 273 K CA 1.689 57.955 56.287 -0.035 0.000 0.931 273 K CB -0.170 32.306 32.500 -0.040 0.000 0.714 273 K HN 0.565 nan 8.250 nan 0.000 0.440 274 E N 1.032 121.219 120.200 -0.023 0.000 2.012 274 E HA -0.212 4.138 4.350 0.000 0.000 0.197 274 E C 1.683 178.274 176.600 -0.016 0.000 1.007 274 E CA 1.330 57.719 56.400 -0.018 0.000 0.816 274 E CB -0.023 29.668 29.700 -0.015 0.000 0.762 274 E HN 0.219 nan 8.360 nan 0.000 0.451 275 L N -0.322 120.892 121.223 -0.016 0.000 2.599 275 L HA 0.173 4.513 4.340 0.000 0.000 0.230 275 L C 1.301 178.163 176.870 -0.013 0.000 1.141 275 L CA 0.327 55.159 54.840 -0.013 0.000 0.877 275 L CB 0.005 42.057 42.059 -0.013 0.000 1.009 275 L HN 0.469 nan 8.230 nan 0.000 0.447 276 G N 1.411 110.200 108.800 -0.018 0.000 2.246 276 G HA2 -0.292 3.668 3.960 0.000 0.000 0.273 276 G HA3 -0.292 3.668 3.960 0.000 0.000 0.273 276 G C 0.196 175.087 174.900 -0.016 0.000 1.055 276 G CA -0.161 44.928 45.100 -0.019 0.000 0.851 276 G HN 0.290 nan 8.290 nan 0.000 0.500 277 I N 0.209 120.769 120.570 -0.018 0.000 2.872 277 I HA 0.023 4.193 4.170 0.000 0.000 0.291 277 I C 1.350 177.455 176.117 -0.019 0.000 1.216 277 I CA 0.247 61.538 61.300 -0.015 0.000 1.424 277 I CB 0.467 38.456 38.000 -0.019 0.000 1.351 277 I HN 0.129 nan 8.210 nan 0.000 0.592 278 D N 4.020 124.413 120.400 -0.011 0.000 2.347 278 D HA 0.156 4.796 4.640 0.000 0.000 0.213 278 D C 0.669 176.943 176.300 -0.042 0.000 0.985 278 D CA 0.529 54.518 54.000 -0.019 0.000 0.879 278 D CB 0.561 41.362 40.800 0.002 0.000 0.919 278 D HN 0.756 nan 8.370 nan 0.000 0.526 279 G N -0.207 108.568 108.800 -0.042 0.000 2.356 279 G HA2 0.470 4.430 3.960 0.000 0.000 0.294 279 G HA3 0.470 4.430 3.960 0.000 0.000 0.294 279 G C -2.003 172.868 174.900 -0.049 0.000 1.423 279 G CA -0.830 44.231 45.100 -0.065 0.000 0.806 279 G HN 0.025 nan 8.290 nan 0.000 0.527 280 L N -0.011 121.180 121.223 -0.053 0.000 2.370 280 L HA 0.645 4.985 4.340 0.000 0.000 0.266 280 L C -0.388 176.464 176.870 -0.031 0.000 1.002 280 L CA -0.904 53.920 54.840 -0.027 0.000 0.818 280 L CB 2.492 44.544 42.059 -0.013 0.000 1.325 280 L HN 0.400 nan 8.230 nan 0.000 0.418 281 I N 2.592 123.163 120.570 0.002 0.000 2.339 281 I HA 0.285 4.455 4.170 0.000 0.000 0.290 281 I C -0.627 175.512 176.117 0.035 0.000 0.994 281 I CA -0.711 60.602 61.300 0.023 0.000 1.191 281 I CB 1.919 39.958 38.000 0.065 0.000 1.343 281 I HN 0.190 nan 8.210 nan 0.000 0.458 282 V N 5.810 125.744 119.914 0.033 0.000 2.259 282 V HA 0.386 4.506 4.120 0.000 0.000 0.267 282 V C -0.310 175.809 176.094 0.043 0.000 1.051 282 V CA -0.186 62.135 62.300 0.035 0.000 0.830 282 V CB 0.352 32.193 31.823 0.030 0.000 1.080 282 V HN 1.011 nan 8.190 nan 0.000 0.467 283 T N 1.286 115.869 114.554 0.049 0.000 0.734 283 T HA -0.128 4.222 4.350 0.000 0.000 0.757 283 T C -0.424 174.314 174.700 0.064 0.000 0.988 283 T CA -0.667 61.464 62.100 0.050 0.000 3.992 283 T CB -0.999 67.893 68.868 0.041 0.000 2.261 283 T HN 0.449 nan 8.240 nan 0.000 0.400 284 N N 1.562 120.304 118.700 0.069 0.000 2.267 284 N HA 0.438 5.178 4.740 0.000 0.000 0.266 284 N C 1.281 176.830 175.510 0.065 0.000 1.295 284 N CA 0.683 53.781 53.050 0.079 0.000 0.914 284 N CB 0.450 38.986 38.487 0.080 0.000 1.083 284 N HN 1.095 nan 8.380 nan 0.000 0.507 285 T N -2.664 111.929 114.554 0.064 0.000 2.729 285 T HA 0.282 4.632 4.350 0.000 0.000 0.298 285 T C 0.408 175.131 174.700 0.038 0.000 1.013 285 T CA -0.490 61.640 62.100 0.050 0.000 0.957 285 T CB 0.714 69.612 68.868 0.051 0.000 1.130 285 T HN 0.426 nan 8.240 nan 0.000 0.526 286 T N -0.652 113.919 114.554 0.029 0.000 2.893 286 T HA 0.435 4.785 4.350 0.000 0.000 0.293 286 T C 0.865 175.574 174.700 0.014 0.000 1.027 286 T CA -0.332 61.781 62.100 0.021 0.000 0.988 286 T CB 1.332 70.211 68.868 0.018 0.000 1.043 286 T HN 0.862 nan 8.240 nan 0.000 0.461 287 V N 2.442 122.362 119.914 0.010 0.000 3.541 287 V HA 0.286 4.406 4.120 0.000 0.000 0.267 287 V C 1.267 177.361 176.094 -0.001 0.000 1.213 287 V CA 0.703 63.005 62.300 0.003 0.000 1.149 287 V CB -0.971 30.853 31.823 0.001 0.000 0.822 287 V HN 0.870 nan 8.190 nan 0.000 0.462 288 S N 1.611 117.312 115.700 0.002 0.000 2.587 288 S HA 0.367 4.837 4.470 0.000 0.000 0.260 288 S C 0.285 174.882 174.600 -0.004 0.000 1.353 288 S CA -0.333 57.866 58.200 -0.001 0.000 0.995 288 S CB 0.566 63.767 63.200 0.002 0.000 0.912 288 S HN 0.571 nan 8.310 nan 0.000 0.568 289 R N 1.668 122.164 120.500 -0.007 0.000 2.734 289 R HA 0.367 4.708 4.340 0.000 0.000 0.268 289 R C -3.023 173.271 176.300 -0.011 0.000 1.785 289 R CA -1.492 54.601 56.100 -0.011 0.000 1.461 289 R CB 0.349 30.638 30.300 -0.018 0.000 1.308 289 R HN 0.575 nan 8.270 nan 0.000 0.586 290 P HA -0.029 nan 4.420 nan 0.000 0.263 290 P C -0.228 177.065 177.300 -0.011 0.000 1.175 290 P CA 0.199 63.294 63.100 -0.008 0.000 0.761 290 P CB 0.607 32.303 31.700 -0.007 0.000 0.794 291 A N 3.215 126.028 122.820 -0.011 0.000 2.573 291 A HA 0.371 4.691 4.320 0.000 0.000 0.250 291 A C 1.555 179.131 177.584 -0.013 0.000 1.049 291 A CA 0.980 53.010 52.037 -0.012 0.000 0.767 291 A CB -1.154 17.840 19.000 -0.011 0.000 0.965 291 A HN 0.896 nan 8.150 nan 0.000 0.514 292 G N 1.543 110.334 108.800 -0.015 0.000 2.352 292 G HA2 -0.173 3.787 3.960 0.000 0.000 0.204 292 G HA3 -0.173 3.787 3.960 0.000 0.000 0.204 292 G C 0.241 175.129 174.900 -0.020 0.000 1.004 292 G CA -0.219 44.870 45.100 -0.017 0.000 0.648 292 G HN 0.958 nan 8.290 nan 0.000 0.491 293 L N 1.647 122.859 121.223 -0.019 0.000 2.737 293 L HA 0.037 4.377 4.340 0.000 0.000 0.279 293 L C 1.824 178.680 176.870 -0.023 0.000 1.200 293 L CA 0.114 54.941 54.840 -0.021 0.000 0.952 293 L CB 0.427 42.474 42.059 -0.020 0.000 1.240 293 L HN 0.176 nan 8.230 nan 0.000 0.486 294 Q N 2.882 122.667 119.800 -0.025 0.000 2.250 294 Q HA 0.079 4.419 4.340 0.000 0.000 0.200 294 Q C 1.279 177.266 176.000 -0.022 0.000 0.941 294 Q CA 0.592 56.380 55.803 -0.025 0.000 0.872 294 Q CB -0.098 28.624 28.738 -0.028 0.000 0.965 294 Q HN 0.831 nan 8.270 nan 0.000 0.480 295 G N 1.171 109.960 108.800 -0.019 0.000 2.268 295 G HA2 0.003 3.963 3.960 0.000 0.000 0.257 295 G HA3 0.003 3.963 3.960 0.000 0.000 0.257 295 G C 1.069 175.957 174.900 -0.020 0.000 0.827 295 G CA 0.541 45.636 45.100 -0.010 0.000 0.960 295 G HN 0.324 nan 8.290 nan 0.000 0.353 296 A N 2.760 125.571 122.820 -0.014 0.000 2.024 296 A HA -0.038 4.282 4.320 0.000 0.000 0.220 296 A C 2.039 179.593 177.584 -0.050 0.000 1.164 296 A CA 1.223 53.246 52.037 -0.024 0.000 0.643 296 A CB -0.088 18.905 19.000 -0.012 0.000 0.806 296 A HN 0.730 nan 8.150 nan 0.000 0.451 297 L N -0.116 121.074 121.223 -0.056 0.000 2.791 297 L HA 0.125 4.465 4.340 0.000 0.000 0.239 297 L C 2.033 178.813 176.870 -0.151 0.000 1.203 297 L CA 0.015 54.773 54.840 -0.138 0.000 1.002 297 L CB -0.181 41.782 42.059 -0.160 0.000 1.295 297 L HN 0.490 nan 8.230 nan 0.000 0.504 298 R N -0.815 119.631 120.500 -0.089 0.000 2.159 298 R HA -0.080 4.260 4.340 0.000 0.000 0.237 298 R C 1.142 177.387 176.300 -0.093 0.000 1.131 298 R CA 1.461 57.518 56.100 -0.073 0.000 0.982 298 R CB -0.574 29.698 30.300 -0.047 0.000 0.868 298 R HN 0.168 nan 8.270 nan 0.000 0.453 299 S N 0.862 116.493 115.700 -0.114 0.000 2.622 299 S HA 0.116 4.586 4.470 0.000 0.000 0.236 299 S C -0.410 174.098 174.600 -0.153 0.000 0.956 299 S CA -0.321 57.814 58.200 -0.108 0.000 0.971 299 S CB 0.142 63.291 63.200 -0.086 0.000 0.782 299 S HN 0.262 nan 8.310 nan 0.000 0.468 300 E N 2.764 122.823 120.200 -0.236 0.000 2.360 300 E HA 0.101 4.451 4.350 0.000 0.000 0.269 300 E C 0.041 176.546 176.600 -0.158 0.000 1.022 300 E CA 0.149 56.359 56.400 -0.316 0.000 0.887 300 E CB 0.602 29.866 29.700 -0.727 0.000 0.990 300 E HN 0.157 nan 8.360 nan 0.000 0.426 301 T N 1.499 115.990 114.554 -0.105 0.000 2.940 301 T HA 0.439 4.789 4.350 0.000 0.000 0.309 301 T C 0.536 175.235 174.700 -0.002 0.000 1.056 301 T CA 0.346 62.422 62.100 -0.040 0.000 1.137 301 T CB 0.748 69.603 68.868 -0.021 0.000 0.976 301 T HN 0.702 nan 8.240 nan 0.000 0.547 302 G N 0.905 109.707 108.800 0.004 0.000 2.346 302 G HA2 0.407 4.367 3.960 0.000 0.000 0.294 302 G HA3 0.407 4.367 3.960 0.000 0.000 0.294 302 G C -0.354 174.558 174.900 0.021 0.000 1.294 302 G CA -0.596 44.518 45.100 0.024 0.000 0.962 302 G HN 0.900 nan 8.290 nan 0.000 0.508 303 G N -0.938 107.880 108.800 0.030 0.000 2.390 303 G HA2 0.659 4.619 3.960 0.000 0.000 0.270 303 G HA3 0.659 4.619 3.960 0.000 0.000 0.270 303 G C -0.389 174.532 174.900 0.036 0.000 1.211 303 G CA -0.052 45.066 45.100 0.031 0.000 0.842 303 G HN 1.335 nan 8.290 nan 0.000 0.519 304 L N 2.850 124.091 121.223 0.029 0.000 2.289 304 L HA 0.712 5.052 4.340 0.000 0.000 0.285 304 L C 0.469 177.359 176.870 0.032 0.000 1.049 304 L CA -0.247 54.611 54.840 0.030 0.000 0.804 304 L CB 1.537 43.608 42.059 0.020 0.000 1.195 304 L HN 0.634 nan 8.230 nan 0.000 0.428 305 S N 2.878 118.598 115.700 0.034 0.000 2.704 305 S HA 1.037 5.507 4.470 0.000 0.000 0.296 305 S C 0.003 174.633 174.600 0.049 0.000 1.138 305 S CA -0.192 58.026 58.200 0.030 0.000 0.875 305 S CB 1.294 64.492 63.200 -0.003 0.000 1.151 305 S HN 1.814 nan 8.310 nan 0.000 0.500 306 G N 1.373 110.206 108.800 0.054 0.000 2.587 306 G HA2 -0.131 3.829 3.960 0.000 0.000 0.212 306 G HA3 -0.131 3.829 3.960 0.000 0.000 0.212 306 G C 0.148 175.075 174.900 0.044 0.000 1.327 306 G CA 0.266 45.417 45.100 0.085 0.000 0.898 306 G HN 0.834 nan 8.290 nan 0.000 0.551 307 K N 1.042 121.458 120.400 0.028 0.000 2.059 307 K HA -0.035 4.285 4.320 0.000 0.000 0.212 307 K C -0.010 176.592 176.600 0.003 0.000 1.050 307 K CA 2.627 58.917 56.287 0.006 0.000 0.927 307 K CB -1.267 31.226 32.500 -0.011 0.000 0.714 307 K HN 0.332 nan 8.250 nan 0.000 0.447 308 P HA -0.126 nan 4.420 nan 0.000 0.226 308 P C 0.915 178.219 177.300 0.006 0.000 1.146 308 P CA 0.745 63.845 63.100 0.001 0.000 0.773 308 P CB 0.127 31.827 31.700 0.000 0.000 0.772 309 L N -1.212 120.018 121.223 0.013 0.000 2.307 309 L HA 0.132 4.472 4.340 0.000 0.000 0.211 309 L C 2.405 179.282 176.870 0.013 0.000 1.099 309 L CA 1.133 55.982 54.840 0.016 0.000 0.816 309 L CB -0.638 41.435 42.059 0.025 0.000 0.952 309 L HN -0.281 nan 8.230 nan 0.000 0.455 310 R N 0.021 120.527 120.500 0.009 0.000 2.196 310 R HA -0.264 4.076 4.340 0.000 0.000 0.234 310 R C 1.791 178.092 176.300 0.002 0.000 1.113 310 R CA 2.671 58.773 56.100 0.004 0.000 0.899 310 R CB -0.508 29.790 30.300 -0.004 0.000 0.863 310 R HN 0.372 nan 8.270 nan 0.000 0.430 311 D N 0.099 120.498 120.400 -0.001 0.000 2.144 311 D HA -0.139 4.501 4.640 0.000 0.000 0.200 311 D C 1.739 178.040 176.300 0.002 0.000 0.978 311 D CA 0.628 54.626 54.000 -0.003 0.000 0.833 311 D CB -0.258 40.539 40.800 -0.005 0.000 0.961 311 D HN 0.126 nan 8.370 nan 0.000 0.470 312 L N 0.610 121.836 121.223 0.005 0.000 2.013 312 L HA -0.211 4.129 4.340 0.000 0.000 0.212 312 L C 2.241 179.119 176.870 0.013 0.000 1.073 312 L CA 1.805 56.650 54.840 0.009 0.000 0.753 312 L CB -1.201 40.864 42.059 0.011 0.000 0.890 312 L HN 0.016 nan 8.230 nan 0.000 0.432 313 S N -1.933 113.775 115.700 0.014 0.000 2.343 313 S HA -0.209 4.261 4.470 0.000 0.000 0.219 313 S C 1.971 176.581 174.600 0.016 0.000 1.033 313 S CA 1.917 60.128 58.200 0.019 0.000 1.014 313 S CB -0.602 62.611 63.200 0.021 0.000 0.915 313 S HN 0.632 nan 8.310 nan 0.000 0.435 314 T N 2.602 117.160 114.554 0.008 0.000 2.653 314 T HA -0.160 4.191 4.350 0.000 0.000 0.268 314 T C 2.016 176.722 174.700 0.010 0.000 1.035 314 T CA 1.754 63.855 62.100 0.002 0.000 1.154 314 T CB -0.544 68.319 68.868 -0.009 0.000 0.862 314 T HN 0.417 nan 8.240 nan 0.000 0.441 315 Q N 0.558 120.364 119.800 0.010 0.000 2.135 315 Q HA -0.084 4.256 4.340 0.000 0.000 0.204 315 Q C 2.581 178.601 176.000 0.033 0.000 0.981 315 Q CA 1.556 57.369 55.803 0.017 0.000 0.856 315 Q CB -0.994 27.750 28.738 0.011 0.000 0.902 315 Q HN 0.589 nan 8.270 nan 0.000 0.425 316 T N 1.085 115.658 114.554 0.031 0.000 2.857 316 T HA -0.043 4.307 4.350 0.000 0.000 0.266 316 T C 2.070 176.801 174.700 0.052 0.000 1.048 316 T CA 0.717 62.841 62.100 0.039 0.000 1.139 316 T CB -0.182 68.705 68.868 0.032 0.000 0.874 316 T HN 0.126 nan 8.240 nan 0.000 0.455 317 I N 0.923 121.521 120.570 0.048 0.000 2.118 317 I HA -0.219 3.951 4.170 0.000 0.000 0.241 317 I C 2.812 178.999 176.117 0.116 0.000 1.070 317 I CA 1.486 62.822 61.300 0.061 0.000 1.327 317 I CB -0.348 37.669 38.000 0.029 0.000 1.034 317 I HN 0.084 nan 8.210 nan 0.000 0.405 318 R N 0.395 120.965 120.500 0.117 0.000 2.115 318 R HA -0.274 4.066 4.340 0.000 0.000 0.239 318 R C 2.365 178.805 176.300 0.232 0.000 1.133 318 R CA 2.281 58.504 56.100 0.206 0.000 0.935 318 R CB -0.353 30.002 30.300 0.091 0.000 0.853 318 R HN 0.388 nan 8.270 nan 0.000 0.433 319 E N -0.598 119.681 120.200 0.132 0.000 2.085 319 E HA -0.220 4.130 4.350 0.000 0.000 0.194 319 E C 1.944 178.603 176.600 0.098 0.000 0.994 319 E CA 1.522 57.985 56.400 0.105 0.000 0.801 319 E CB 0.110 29.848 29.700 0.062 0.000 0.743 319 E HN 0.231 nan 8.360 nan 0.000 0.453 320 M N -0.709 118.947 119.600 0.093 0.000 2.200 320 M HA -0.118 4.363 4.480 0.000 0.000 0.265 320 M C 2.070 178.402 176.300 0.053 0.000 1.066 320 M CA 1.203 56.538 55.300 0.059 0.000 1.127 320 M CB -1.073 31.555 32.600 0.048 0.000 1.379 320 M HN 0.219 nan 8.290 nan 0.000 0.420 321 Y N 1.452 121.722 120.300 -0.050 0.000 2.133 321 Y HA -0.124 4.426 4.550 0.000 0.000 0.287 321 Y C 2.465 178.251 175.900 -0.189 0.000 1.134 321 Y CA 2.086 60.099 58.100 -0.146 0.000 1.133 321 Y CB -0.393 37.936 38.460 -0.218 0.000 0.987 321 Y HN 0.189 nan 8.280 nan 0.000 0.502 322 A N 0.438 123.259 122.820 0.002 0.000 1.892 322 A HA -0.217 4.103 4.320 0.000 0.000 0.218 322 A C 2.266 179.805 177.584 -0.075 0.000 1.188 322 A CA 2.138 54.161 52.037 -0.023 0.000 0.631 322 A CB -1.267 17.836 19.000 0.172 0.000 0.822 322 A HN 0.577 nan 8.150 nan 0.000 0.447 323 L N -0.425 120.775 121.223 -0.039 0.000 2.141 323 L HA -0.103 4.237 4.340 0.000 0.000 0.209 323 L C 2.613 179.434 176.870 -0.081 0.000 1.094 323 L CA 1.645 56.460 54.840 -0.042 0.000 0.763 323 L CB -0.396 41.654 42.059 -0.015 0.000 0.908 323 L HN 0.659 nan 8.230 nan 0.000 0.437 324 T N -4.059 110.418 114.554 -0.127 0.000 3.086 324 T HA 0.071 4.422 4.350 0.000 0.000 0.250 324 T C 0.689 175.248 174.700 -0.235 0.000 1.074 324 T CA -0.167 61.842 62.100 -0.152 0.000 0.988 324 T CB 0.073 68.857 68.868 -0.140 0.000 0.988 324 T HN 0.457 nan 8.240 nan 0.000 0.530 325 Q N 0.326 119.944 119.800 -0.305 0.000 2.487 325 Q HA -0.171 4.169 4.340 0.000 0.000 0.279 325 Q C 1.091 176.790 176.000 -0.502 0.000 1.228 325 Q CA 0.378 55.975 55.803 -0.344 0.000 0.873 325 Q CB -2.672 25.951 28.738 -0.190 0.000 1.260 325 Q HN 1.018 nan 8.270 nan 0.000 0.471 326 G N -0.144 108.099 108.800 -0.930 0.000 2.166 326 G HA2 -0.389 3.571 3.960 0.000 0.000 0.260 326 G HA3 -0.389 3.571 3.960 0.000 0.000 0.260 326 G C 0.609 175.279 174.900 -0.382 0.000 0.986 326 G CA 0.728 45.229 45.100 -0.997 0.000 0.683 326 G HN 0.490 nan 8.290 nan 0.000 0.527 327 R N -1.086 119.241 120.500 -0.288 0.000 2.397 327 R HA 0.371 4.711 4.340 0.000 0.000 0.241 327 R C 0.015 176.241 176.300 -0.124 0.000 0.914 327 R CA 0.214 56.218 56.100 -0.158 0.000 1.071 327 R CB 1.072 31.295 30.300 -0.128 0.000 1.116 327 R HN 0.281 nan 8.270 nan 0.000 0.524 328 V N 2.628 122.459 119.914 -0.138 0.000 2.409 328 V HA 0.277 4.397 4.120 0.000 0.000 0.290 328 V C -2.380 173.674 176.094 -0.067 0.000 1.017 328 V CA -2.288 59.957 62.300 -0.092 0.000 0.841 328 V CB 1.952 33.724 31.823 -0.085 0.000 1.003 328 V HN -0.041 nan 8.190 nan 0.000 0.426 329 P HA 0.223 nan 4.420 nan 0.000 0.264 329 P C -0.657 176.597 177.300 -0.077 0.000 1.183 329 P CA 0.415 63.469 63.100 -0.076 0.000 0.763 329 P CB 0.461 32.088 31.700 -0.121 0.000 0.807 330 I N 3.893 124.425 120.570 -0.063 0.000 2.466 330 I HA 0.353 4.523 4.170 0.000 0.000 0.289 330 I C 0.023 176.084 176.117 -0.093 0.000 1.026 330 I CA -0.764 60.505 61.300 -0.052 0.000 1.078 330 I CB 1.694 39.703 38.000 0.015 0.000 1.249 330 I HN 0.131 nan 8.210 nan 0.000 0.429 331 I N 5.200 125.715 120.570 -0.092 0.000 2.304 331 I HA 0.302 4.472 4.170 0.000 0.000 0.291 331 I C 0.821 176.940 176.117 0.005 0.000 1.018 331 I CA -0.211 61.051 61.300 -0.063 0.000 1.260 331 I CB 1.294 39.254 38.000 -0.067 0.000 1.390 331 I HN 0.617 nan 8.210 nan 0.000 0.475 332 G N 5.678 114.486 108.800 0.013 0.000 2.353 332 G HA2 0.489 4.449 3.960 0.000 0.000 0.284 332 G HA3 0.489 4.449 3.960 0.000 0.000 0.284 332 G C -0.920 174.007 174.900 0.046 0.000 1.172 332 G CA -0.254 44.858 45.100 0.021 0.000 0.854 332 G HN 0.426 nan 8.290 nan 0.000 0.485 333 V N 1.716 121.659 119.914 0.048 0.000 2.971 333 V HA 0.967 5.087 4.120 0.000 0.000 0.309 333 V C -0.086 176.037 176.094 0.048 0.000 1.130 333 V CA 0.421 62.755 62.300 0.057 0.000 0.964 333 V CB 1.913 33.783 31.823 0.079 0.000 1.029 333 V HN 2.052 nan 8.190 nan 0.000 0.427 334 G N 3.217 112.044 108.800 0.046 0.000 2.789 334 G HA2 0.518 4.478 3.960 0.000 0.000 0.353 334 G HA3 0.518 4.478 3.960 0.000 0.000 0.353 334 G C 0.681 175.595 174.900 0.025 0.000 1.220 334 G CA 0.271 45.395 45.100 0.040 0.000 1.204 334 G HN 2.368 nan 8.290 nan 0.000 0.574 335 G N -0.520 108.297 108.800 0.027 0.000 2.168 335 G HA2 -0.072 3.888 3.960 0.000 0.000 0.263 335 G HA3 -0.072 3.888 3.960 0.000 0.000 0.263 335 G C 0.770 175.662 174.900 -0.013 0.000 0.977 335 G CA 0.728 45.837 45.100 0.014 0.000 0.659 335 G HN 1.866 nan 8.290 nan 0.000 0.533 336 V N 1.631 121.534 119.914 -0.018 0.000 2.450 336 V HA 0.414 4.534 4.120 0.000 0.000 0.281 336 V C 1.278 177.303 176.094 -0.115 0.000 1.019 336 V CA 1.368 63.635 62.300 -0.056 0.000 1.062 336 V CB 1.149 32.951 31.823 -0.034 0.000 0.979 336 V HN 1.003 nan 8.190 nan 0.000 0.477 337 S N 1.502 117.083 115.700 -0.198 0.000 2.911 337 S HA 0.292 4.762 4.470 0.000 0.000 0.261 337 S C 0.222 174.518 174.600 -0.508 0.000 1.021 337 S CA 0.158 58.115 58.200 -0.405 0.000 1.222 337 S CB 0.467 63.375 63.200 -0.487 0.000 1.171 337 S HN 0.917 nan 8.310 nan 0.000 0.669 338 S N -0.544 114.975 115.700 -0.302 0.000 2.638 338 S HA 0.747 5.217 4.470 0.000 0.000 0.274 338 S C 1.133 175.636 174.600 -0.161 0.000 1.157 338 S CA -0.142 57.909 58.200 -0.248 0.000 0.826 338 S CB 0.725 63.815 63.200 -0.183 0.000 1.139 338 S HN 0.322 nan 8.310 nan 0.000 0.474 339 G N 0.425 109.145 108.800 -0.134 0.000 2.440 339 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 339 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 339 G C 1.177 176.036 174.900 -0.068 0.000 1.154 339 G CA 1.232 46.273 45.100 -0.098 0.000 0.767 339 G HN 0.859 nan 8.290 nan 0.000 0.552 340 Q N 0.134 119.900 119.800 -0.058 0.000 2.061 340 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 340 Q C 2.043 178.016 176.000 -0.044 0.000 0.984 340 Q CA 1.793 57.573 55.803 -0.037 0.000 0.846 340 Q CB -0.168 28.554 28.738 -0.027 0.000 0.902 340 Q HN 0.367 nan 8.270 nan 0.000 0.421 341 D N 0.358 120.722 120.400 -0.061 0.000 2.116 341 D HA -0.195 4.445 4.640 0.000 0.000 0.193 341 D C 1.752 178.020 176.300 -0.054 0.000 0.998 341 D CA 1.567 55.532 54.000 -0.059 0.000 0.836 341 D CB -0.424 40.326 40.800 -0.082 0.000 0.951 341 D HN 0.437 nan 8.370 nan 0.000 0.449 342 A N 0.919 123.701 122.820 -0.063 0.000 1.845 342 A HA -0.160 4.160 4.320 0.000 0.000 0.215 342 A C 2.207 179.758 177.584 -0.055 0.000 1.195 342 A CA 1.426 53.430 52.037 -0.054 0.000 0.616 342 A CB -0.972 17.992 19.000 -0.060 0.000 0.832 342 A HN 0.259 nan 8.150 nan 0.000 0.443 343 L N 0.100 121.290 121.223 -0.055 0.000 2.131 343 L HA -0.145 4.195 4.340 0.000 0.000 0.210 343 L C 2.120 178.953 176.870 -0.061 0.000 1.092 343 L CA 2.307 57.110 54.840 -0.062 0.000 0.759 343 L CB -0.705 41.333 42.059 -0.035 0.000 0.903 343 L HN 0.548 nan 8.230 nan 0.000 0.435 344 E N -0.431 119.742 120.200 -0.045 0.000 2.058 344 E HA -0.268 4.082 4.350 0.000 0.000 0.194 344 E C 2.113 178.679 176.600 -0.057 0.000 0.997 344 E CA 1.666 58.040 56.400 -0.043 0.000 0.801 344 E CB -0.057 29.624 29.700 -0.033 0.000 0.746 344 E HN 0.542 nan 8.360 nan 0.000 0.450 345 K N 0.220 120.587 120.400 -0.055 0.000 2.097 345 K HA -0.085 4.235 4.320 0.000 0.000 0.205 345 K C 2.206 178.754 176.600 -0.088 0.000 1.050 345 K CA 0.807 57.061 56.287 -0.056 0.000 0.938 345 K CB -0.070 32.408 32.500 -0.037 0.000 0.718 345 K HN 0.163 nan 8.250 nan 0.000 0.442 346 I N 0.898 121.406 120.570 -0.103 0.000 2.142 346 I HA -0.295 3.875 4.170 0.000 0.000 0.240 346 I C 2.435 178.439 176.117 -0.187 0.000 1.078 346 I CA 1.355 62.566 61.300 -0.149 0.000 1.343 346 I CB -0.290 37.614 38.000 -0.160 0.000 1.046 346 I HN 0.138 nan 8.210 nan 0.000 0.405 347 R N 0.697 121.103 120.500 -0.158 0.000 2.120 347 R HA -0.133 4.207 4.340 0.000 0.000 0.234 347 R C 2.413 178.634 176.300 -0.131 0.000 1.123 347 R CA 1.347 57.366 56.100 -0.134 0.000 0.975 347 R CB -0.409 29.852 30.300 -0.064 0.000 0.866 347 R HN 0.392 nan 8.270 nan 0.000 0.446 348 A N -0.221 122.526 122.820 -0.122 0.000 1.972 348 A HA -0.032 4.288 4.320 0.000 0.000 0.219 348 A C 1.637 179.128 177.584 -0.154 0.000 1.169 348 A CA 1.795 53.777 52.037 -0.091 0.000 0.635 348 A CB -0.178 18.790 19.000 -0.053 0.000 0.810 348 A HN 0.510 nan 8.150 nan 0.000 0.446 349 G N -3.374 105.216 108.800 -0.350 0.000 2.370 349 G HA2 0.307 4.267 3.960 0.000 0.000 0.174 349 G HA3 0.307 4.267 3.960 0.000 0.000 0.174 349 G C 0.265 174.996 174.900 -0.282 0.000 1.002 349 G CA 0.066 44.727 45.100 -0.732 0.000 0.730 349 G HN 1.344 nan 8.290 nan 0.000 0.497 350 A N 0.586 123.311 122.820 -0.159 0.000 2.440 350 A HA 0.725 5.045 4.320 0.000 0.000 0.251 350 A C 1.430 178.944 177.584 -0.116 0.000 1.089 350 A CA 1.128 53.108 52.037 -0.095 0.000 0.779 350 A CB 0.705 19.666 19.000 -0.065 0.000 1.022 350 A HN 0.696 nan 8.150 nan 0.000 0.492 351 S N 0.791 116.422 115.700 -0.116 0.000 2.458 351 S HA 0.238 4.708 4.470 0.000 0.000 0.223 351 S C 0.397 174.887 174.600 -0.184 0.000 1.019 351 S CA 0.593 58.701 58.200 -0.154 0.000 0.937 351 S CB -0.300 62.789 63.200 -0.186 0.000 0.788 351 S HN 0.569 nan 8.310 nan 0.000 0.511 352 L N 0.935 122.059 121.223 -0.166 0.000 2.424 352 L HA 0.652 4.992 4.340 0.000 0.000 0.258 352 L C -1.057 175.844 176.870 0.051 0.000 0.995 352 L CA -0.990 53.792 54.840 -0.096 0.000 0.821 352 L CB 2.283 44.140 42.059 -0.336 0.000 1.383 352 L HN -0.042 nan 8.230 nan 0.000 0.410 353 V N -0.811 119.200 119.914 0.162 0.000 2.914 353 V HA 0.680 4.800 4.120 0.000 0.000 0.314 353 V C -1.050 175.145 176.094 0.170 0.000 1.084 353 V CA -0.552 61.822 62.300 0.123 0.000 0.963 353 V CB 2.014 33.866 31.823 0.049 0.000 1.025 353 V HN 0.860 nan 8.190 nan 0.000 0.432 354 Q N 2.256 122.119 119.800 0.104 0.000 2.394 354 Q HA 0.805 5.146 4.340 0.000 0.000 0.273 354 Q C -1.285 174.736 176.000 0.035 0.000 1.089 354 Q CA -0.851 54.962 55.803 0.018 0.000 0.812 354 Q CB 2.691 31.438 28.738 0.015 0.000 1.353 354 Q HN 0.893 nan 8.270 nan 0.000 0.438 355 L N -1.967 119.280 121.223 0.040 0.000 2.309 355 L HA 0.611 4.952 4.340 0.000 0.000 0.261 355 L C -0.655 176.293 176.870 0.130 0.000 1.021 355 L CA -0.371 54.516 54.840 0.078 0.000 0.823 355 L CB 1.166 43.261 42.059 0.060 0.000 1.366 355 L HN 0.860 nan 8.230 nan 0.000 0.423 356 Y N -0.808 119.484 120.300 -0.012 0.000 3.299 356 Y HA -0.010 4.540 4.550 0.000 0.000 0.195 356 Y C 1.681 177.586 175.900 0.010 0.000 0.972 356 Y CA 0.477 58.565 58.100 -0.020 0.000 1.633 356 Y CB 0.652 39.108 38.460 -0.005 0.000 1.465 356 Y HN 0.658 nan 8.280 nan 0.000 0.367 357 T N 1.939 116.475 114.554 -0.028 0.000 2.759 357 T HA -0.220 4.130 4.350 0.000 0.000 0.269 357 T C 1.831 176.584 174.700 0.088 0.000 1.042 357 T CA 1.469 63.507 62.100 -0.103 0.000 1.140 357 T CB -0.681 68.186 68.868 -0.003 0.000 0.864 357 T HN 0.498 nan 8.240 nan 0.000 0.455 358 A N 1.195 124.093 122.820 0.131 0.000 1.986 358 A HA -0.094 4.226 4.320 0.000 0.000 0.220 358 A C 2.202 179.882 177.584 0.161 0.000 1.171 358 A CA 1.236 53.351 52.037 0.131 0.000 0.640 358 A CB -0.813 18.133 19.000 -0.089 0.000 0.811 358 A HN 0.373 nan 8.150 nan 0.000 0.451 359 L N 0.081 121.364 121.223 0.101 0.000 2.046 359 L HA -0.121 4.219 4.340 0.000 0.000 0.208 359 L C 2.908 179.812 176.870 0.057 0.000 1.077 359 L CA 2.666 57.554 54.840 0.080 0.000 0.747 359 L CB -1.031 41.065 42.059 0.061 0.000 0.896 359 L HN 0.608 nan 8.230 nan 0.000 0.432 360 T N -3.187 111.327 114.554 -0.067 0.000 3.007 360 T HA -0.157 4.193 4.350 0.000 0.000 0.270 360 T C 1.560 175.998 174.700 -0.437 0.000 1.107 360 T CA 1.295 63.228 62.100 -0.278 0.000 1.118 360 T CB -0.463 68.129 68.868 -0.460 0.000 0.889 360 T HN 0.272 nan 8.240 nan 0.000 0.506 361 F N -1.304 118.776 119.950 0.216 0.000 2.453 361 F HA 0.368 4.895 4.527 0.000 0.000 0.284 361 F C 1.454 177.390 175.800 0.227 0.000 1.065 361 F CA -0.531 57.601 58.000 0.220 0.000 1.411 361 F CB -0.042 39.111 39.000 0.256 0.000 1.131 361 F HN 0.191 nan 8.300 nan 0.000 0.582 362 W N 0.679 122.071 121.300 0.152 0.000 3.058 362 W HA 0.571 5.231 4.660 0.000 0.000 0.306 362 W C 1.149 177.705 176.519 0.062 0.000 1.188 362 W CA 0.103 57.504 57.345 0.094 0.000 1.651 362 W CB -0.725 28.770 29.460 0.058 0.000 1.051 362 W HN 0.177 nan 8.180 nan 0.000 0.592 363 G N 0.753 109.717 108.800 0.274 0.000 2.741 363 G HA2 -0.266 3.694 3.960 0.000 0.000 0.222 363 G HA3 -0.266 3.694 3.960 0.000 0.000 0.222 363 G C -1.518 173.375 174.900 -0.012 0.000 1.364 363 G CA -0.459 44.743 45.100 0.171 0.000 0.866 363 G HN -0.082 nan 8.290 nan 0.000 0.555 364 P HA -0.091 nan 4.420 nan 0.000 0.217 364 P C -0.772 176.368 177.300 -0.267 0.000 1.162 364 P CA 3.079 66.051 63.100 -0.212 0.000 0.901 364 P CB -0.752 30.827 31.700 -0.201 0.000 0.793 365 P HA -0.195 nan 4.420 nan 0.000 0.219 365 P C 1.810 179.021 177.300 -0.148 0.000 1.151 365 P CA 1.200 64.167 63.100 -0.221 0.000 0.850 365 P CB -0.590 31.000 31.700 -0.184 0.000 0.784 366 V N -0.282 119.559 119.914 -0.121 0.000 2.469 366 V HA -0.212 3.908 4.120 0.000 0.000 0.251 366 V C 2.468 178.411 176.094 -0.252 0.000 1.064 366 V CA 1.682 63.879 62.300 -0.172 0.000 1.066 366 V CB -0.838 30.861 31.823 -0.207 0.000 0.667 366 V HN -0.078 nan 8.190 nan 0.000 0.461 367 V N 0.776 120.509 119.914 -0.301 0.000 2.255 367 V HA -0.194 3.926 4.120 0.000 0.000 0.247 367 V C 2.718 178.624 176.094 -0.313 0.000 1.051 367 V CA 2.221 64.280 62.300 -0.402 0.000 1.018 367 V CB -1.761 29.666 31.823 -0.659 0.000 0.641 367 V HN 0.612 nan 8.190 nan 0.000 0.445 368 G N -0.439 108.208 108.800 -0.254 0.000 2.491 368 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 368 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 368 G C 1.630 176.334 174.900 -0.327 0.000 1.180 368 G CA 1.373 46.329 45.100 -0.239 0.000 0.774 368 G HN 0.487 nan 8.290 nan 0.000 0.562 369 K N -0.149 120.109 120.400 -0.237 0.000 1.977 369 K HA -0.125 4.195 4.320 0.000 0.000 0.218 369 K C 2.690 179.136 176.600 -0.256 0.000 1.051 369 K CA 1.895 58.055 56.287 -0.212 0.000 0.953 369 K CB -0.550 31.852 32.500 -0.163 0.000 0.727 369 K HN 0.156 nan 8.250 nan 0.000 0.445 370 V N 1.904 121.663 119.914 -0.259 0.000 2.250 370 V HA -0.354 3.766 4.120 0.000 0.000 0.253 370 V C 2.331 178.283 176.094 -0.236 0.000 1.065 370 V CA 2.194 64.358 62.300 -0.227 0.000 1.039 370 V CB -0.554 31.146 31.823 -0.205 0.000 0.647 370 V HN 0.406 nan 8.190 nan 0.000 0.446 371 K N -0.719 119.496 120.400 -0.308 0.000 2.103 371 K HA -0.214 4.106 4.320 0.000 0.000 0.207 371 K C 2.426 178.716 176.600 -0.516 0.000 1.048 371 K CA 1.651 57.717 56.287 -0.367 0.000 0.930 371 K CB -0.207 32.017 32.500 -0.459 0.000 0.716 371 K HN 0.380 nan 8.250 nan 0.000 0.444 372 R N 1.131 121.260 120.500 -0.618 0.000 2.112 372 R HA -0.048 4.293 4.340 0.000 0.000 0.216 372 R C 1.697 177.868 176.300 -0.216 0.000 1.080 372 R CA 0.828 56.605 56.100 -0.539 0.000 0.996 372 R CB 0.244 30.234 30.300 -0.517 0.000 0.902 372 R HN 0.200 nan 8.270 nan 0.000 0.449 373 E N 0.733 120.824 120.200 -0.181 0.000 2.072 373 E HA -0.202 4.148 4.350 0.000 0.000 0.191 373 E C 1.947 178.502 176.600 -0.074 0.000 0.985 373 E CA 0.919 57.259 56.400 -0.100 0.000 0.801 373 E CB -0.114 29.528 29.700 -0.097 0.000 0.750 373 E HN 0.147 nan 8.360 nan 0.000 0.452 374 L N 1.869 123.035 121.223 -0.096 0.000 2.042 374 L HA -0.235 4.105 4.340 0.000 0.000 0.210 374 L C 2.286 179.146 176.870 -0.016 0.000 1.076 374 L CA 2.008 56.815 54.840 -0.056 0.000 0.749 374 L CB -0.366 41.655 42.059 -0.063 0.000 0.893 374 L HN 0.079 nan 8.230 nan 0.000 0.432 375 E N -0.593 119.596 120.200 -0.018 0.000 2.031 375 E HA -0.238 4.112 4.350 0.000 0.000 0.193 375 E C 2.148 178.780 176.600 0.052 0.000 0.994 375 E CA 1.362 57.790 56.400 0.046 0.000 0.800 375 E CB -0.319 29.441 29.700 0.100 0.000 0.752 375 E HN 0.582 nan 8.360 nan 0.000 0.447 376 A N 0.962 123.800 122.820 0.030 0.000 1.884 376 A HA -0.235 4.085 4.320 0.000 0.000 0.219 376 A C 2.270 179.881 177.584 0.045 0.000 1.197 376 A CA 1.779 53.838 52.037 0.036 0.000 0.637 376 A CB -0.985 18.026 19.000 0.019 0.000 0.827 376 A HN 0.373 nan 8.150 nan 0.000 0.450 377 L N -0.715 120.532 121.223 0.040 0.000 2.017 377 L HA -0.195 4.145 4.340 0.000 0.000 0.208 377 L C 2.616 179.557 176.870 0.118 0.000 1.073 377 L CA 1.255 56.131 54.840 0.060 0.000 0.745 377 L CB -0.459 41.626 42.059 0.044 0.000 0.894 377 L HN 0.420 nan 8.230 nan 0.000 0.432 378 L N -0.417 120.889 121.223 0.137 0.000 2.034 378 L HA -0.349 3.991 4.340 0.000 0.000 0.217 378 L C 2.653 179.645 176.870 0.203 0.000 1.077 378 L CA 1.722 56.701 54.840 0.233 0.000 0.769 378 L CB -0.570 41.576 42.059 0.144 0.000 0.890 378 L HN 0.300 nan 8.230 nan 0.000 0.435 379 K N -0.261 120.208 120.400 0.115 0.000 2.001 379 K HA -0.196 4.124 4.320 0.000 0.000 0.208 379 K C 2.027 178.651 176.600 0.039 0.000 1.048 379 K CA 1.349 57.680 56.287 0.073 0.000 0.932 379 K CB -0.158 32.377 32.500 0.058 0.000 0.715 379 K HN 0.187 nan 8.250 nan 0.000 0.437 380 E N 1.000 121.223 120.200 0.039 0.000 2.171 380 E HA -0.206 4.144 4.350 0.000 0.000 0.197 380 E C 1.034 177.624 176.600 -0.017 0.000 0.997 380 E CA 1.342 57.751 56.400 0.014 0.000 0.810 380 E CB 0.192 29.905 29.700 0.022 0.000 0.738 380 E HN 0.286 nan 8.360 nan 0.000 0.467 381 Q N -1.387 118.401 119.800 -0.021 0.000 2.189 381 Q HA 0.216 4.556 4.340 0.000 0.000 0.221 381 Q C 0.495 176.268 176.000 -0.377 0.000 0.848 381 Q CA 0.297 56.010 55.803 -0.149 0.000 1.007 381 Q CB 1.323 30.016 28.738 -0.075 0.000 1.116 381 Q HN 0.323 nan 8.270 nan 0.000 0.481 382 G N 1.026 109.701 108.800 -0.208 0.000 2.160 382 G HA2 -0.295 3.665 3.960 0.000 0.000 0.251 382 G HA3 -0.295 3.665 3.960 0.000 0.000 0.251 382 G C -0.180 174.583 174.900 -0.229 0.000 1.008 382 G CA -0.089 44.886 45.100 -0.208 0.000 0.724 382 G HN 0.366 nan 8.290 nan 0.000 0.514 383 F N -0.249 119.706 119.950 0.007 0.000 2.375 383 F HA 0.510 5.037 4.527 0.000 0.000 0.333 383 F C 1.799 177.607 175.800 0.013 0.000 1.104 383 F CA 0.061 58.066 58.000 0.009 0.000 1.149 383 F CB 1.508 40.512 39.000 0.007 0.000 1.190 383 F HN -0.015 nan 8.300 nan 0.000 0.533 384 G N 1.198 110.136 108.800 0.231 0.000 2.426 384 G HA2 0.399 4.359 3.960 0.000 0.000 0.214 384 G HA3 0.399 4.359 3.960 0.000 0.000 0.214 384 G C 0.363 175.330 174.900 0.111 0.000 1.156 384 G CA 0.637 45.815 45.100 0.131 0.000 0.802 384 G HN 0.970 nan 8.290 nan 0.000 0.534 385 G N -1.973 106.892 108.800 0.107 0.000 2.523 385 G HA2 0.345 4.305 3.960 0.000 0.000 0.291 385 G HA3 0.345 4.305 3.960 0.000 0.000 0.291 385 G C 0.453 175.343 174.900 -0.018 0.000 1.450 385 G CA 0.132 45.265 45.100 0.054 0.000 0.790 385 G HN 0.128 nan 8.290 nan 0.000 0.496 386 V N 0.328 120.219 119.914 -0.039 0.000 2.311 386 V HA -0.265 3.855 4.120 0.000 0.000 0.256 386 V C 3.146 179.167 176.094 -0.123 0.000 1.077 386 V CA 3.218 65.457 62.300 -0.101 0.000 1.067 386 V CB -0.810 30.983 31.823 -0.050 0.000 0.659 386 V HN 0.904 nan 8.190 nan 0.000 0.451 387 T N -0.622 113.896 114.554 -0.060 0.000 2.759 387 T HA -0.215 4.135 4.350 0.000 0.000 0.269 387 T C 1.523 176.188 174.700 -0.059 0.000 1.042 387 T CA 1.720 63.791 62.100 -0.049 0.000 1.140 387 T CB -0.413 68.449 68.868 -0.010 0.000 0.864 387 T HN 0.619 nan 8.240 nan 0.000 0.455 388 D N 1.265 121.638 120.400 -0.046 0.000 2.264 388 D HA 0.042 4.682 4.640 0.000 0.000 0.208 388 D C 2.039 178.257 176.300 -0.138 0.000 0.966 388 D CA 0.896 54.900 54.000 0.006 0.000 0.864 388 D CB -0.065 40.834 40.800 0.164 0.000 0.933 388 D HN 0.479 nan 8.370 nan 0.000 0.499 389 A N 0.589 123.140 122.820 -0.449 0.000 2.220 389 A HA 0.137 4.457 4.320 0.000 0.000 0.211 389 A C 1.223 178.569 177.584 -0.396 0.000 1.176 389 A CA -0.319 51.207 52.037 -0.852 0.000 0.834 389 A CB -0.111 18.058 19.000 -1.385 0.000 0.868 389 A HN 0.080 nan 8.150 nan 0.000 0.488 390 I N 0.954 121.376 120.570 -0.248 0.000 2.769 390 I HA 0.193 4.363 4.170 0.000 0.000 0.285 390 I C 1.519 177.533 176.117 -0.171 0.000 1.173 390 I CA 1.296 62.483 61.300 -0.188 0.000 1.389 390 I CB -0.258 37.673 38.000 -0.115 0.000 1.404 390 I HN 0.440 nan 8.210 nan 0.000 0.544 391 G N 4.393 113.006 108.800 -0.312 0.000 2.159 391 G HA2 -0.333 3.627 3.960 0.000 0.000 0.256 391 G HA3 -0.333 3.627 3.960 0.000 0.000 0.256 391 G C 1.125 176.038 174.900 0.021 0.000 0.977 391 G CA 0.427 45.308 45.100 -0.365 0.000 0.652 391 G HN 0.854 nan 8.290 nan 0.000 0.531 392 A N 0.415 123.225 122.820 -0.017 0.000 1.958 392 A HA -0.096 4.224 4.320 0.000 0.000 0.221 392 A C 2.034 179.677 177.584 0.099 0.000 1.178 392 A CA 2.473 54.563 52.037 0.088 0.000 0.642 392 A CB -0.412 18.671 19.000 0.138 0.000 0.816 392 A HN 0.454 nan 8.150 nan 0.000 0.453 393 D N -0.732 119.684 120.400 0.027 0.000 2.144 393 D HA -0.118 4.522 4.640 0.000 0.000 0.199 393 D C 1.419 177.674 176.300 -0.075 0.000 0.984 393 D CA 1.140 55.104 54.000 -0.061 0.000 0.834 393 D CB -0.569 40.118 40.800 -0.189 0.000 0.955 393 D HN 0.694 nan 8.370 nan 0.000 0.465 394 H N -0.123 118.962 119.070 0.025 0.000 2.563 394 H HA 0.161 4.717 4.556 0.000 0.000 0.272 394 H C 1.344 176.720 175.328 0.081 0.000 1.005 394 H CA 0.436 56.534 56.048 0.084 0.000 1.171 394 H CB 0.599 30.480 29.762 0.199 0.000 1.351 394 H HN 0.162 nan 8.280 nan 0.000 0.602 395 R N 0.664 121.260 120.500 0.160 0.000 2.369 395 R HA 0.095 4.435 4.340 0.000 0.000 0.210 395 R C 1.074 177.419 176.300 0.074 0.000 0.881 395 R CA -0.230 55.939 56.100 0.116 0.000 1.031 395 R CB 0.856 31.227 30.300 0.119 0.000 1.184 395 R HN 0.212 nan 8.270 nan 0.000 0.581 396 R N 0.000 120.537 120.500 0.061 0.000 2.786 396 R HA 0.000 4.340 4.340 0.000 0.000 0.208 396 R CA 0.000 56.121 56.100 0.036 0.000 0.921 396 R CB 0.000 30.317 30.300 0.028 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535