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 3l72_1_P DATA FIRST_RESID 2 DATA SEQUENCE APNIRKSHPL LKMINNSLID LPAPSNISAW WNFGSLLAVC LMTQILTGLL DATA SEQUENCE LAMHYTADTS LAFSSVAHTC RNVQYGWLIR NLHANGASFF FICIFLHIGR DATA SEQUENCE GLYYGSYLYK ETWNTGVILL LTLMATAFVG YVLPWGQMSF WGATVITNLF DATA SEQUENCE SAIPYIGHTL VEWAWGGFSV DNPTLTRFFA LHFLLPFAIA GITIIHLTFL DATA SEQUENCE HESGSNNPLG ISSDSDKIPF HPYYSFKDIL GLTLMLTPFL TLALFSPNLL DATA SEQUENCE GDPENFTPAN PLVTPPHIKP EWYFLFAYAI LRSIPNKLGG VLALAASVLI DATA SEQUENCE LFLIPFLHKS KQRTMTFRPL SQTLFWLLVA NLLILTWIGS QPVEHPFIII DATA SEQUENCE GQMASLSYFT ILLILFPTIG TLENKMLNY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.012 0.000 1.274 2 A CA 0.000 52.043 52.037 0.011 0.000 0.836 2 A CB 0.000 19.008 19.000 0.014 0.000 0.831 3 P HA -0.108 nan 4.420 nan 0.000 0.210 3 P C 0.094 177.399 177.300 0.009 0.000 1.185 3 P CA 1.316 64.421 63.100 0.008 0.000 0.924 3 P CB -0.429 31.274 31.700 0.007 0.000 0.786 4 N N 0.880 119.585 118.700 0.009 0.000 2.444 4 N HA 0.040 4.780 4.740 -0.000 0.000 0.271 4 N C 0.772 176.290 175.510 0.014 0.000 1.069 4 N CA -0.400 52.654 53.050 0.008 0.000 0.965 4 N CB 1.083 39.573 38.487 0.004 0.000 1.092 4 N HN -0.037 nan 8.380 nan 0.000 0.476 5 I N 0.598 121.176 120.570 0.012 0.000 3.387 5 I HA -0.096 4.074 4.170 -0.000 0.000 0.298 5 I C 1.965 178.097 176.117 0.025 0.000 1.311 5 I CA 0.573 61.889 61.300 0.026 0.000 1.318 5 I CB -1.389 36.617 38.000 0.009 0.000 1.023 5 I HN 0.667 nan 8.210 nan 0.000 0.540 6 R N 1.587 122.095 120.500 0.015 0.000 2.090 6 R HA -0.013 4.327 4.340 -0.000 0.000 0.219 6 R C 1.789 178.108 176.300 0.032 0.000 1.100 6 R CA 0.717 56.823 56.100 0.011 0.000 0.991 6 R CB 0.312 30.611 30.300 -0.003 0.000 0.893 6 R HN 0.226 nan 8.270 nan 0.000 0.443 7 K N -0.320 120.098 120.400 0.029 0.000 2.356 7 K HA 0.055 4.375 4.320 -0.000 0.000 0.195 7 K C 1.821 178.441 176.600 0.033 0.000 1.037 7 K CA 0.879 57.182 56.287 0.027 0.000 1.014 7 K CB 0.619 33.129 32.500 0.017 0.000 0.815 7 K HN 0.151 nan 8.250 nan 0.000 0.507 8 S N -0.370 115.358 115.700 0.046 0.000 2.427 8 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 8 S C 0.811 175.442 174.600 0.052 0.000 1.047 8 S CA -0.030 58.194 58.200 0.040 0.000 0.953 8 S CB -0.508 62.713 63.200 0.036 0.000 0.824 8 S HN 0.301 nan 8.310 nan 0.000 0.502 9 H N 5.421 124.486 119.070 -0.007 0.000 3.094 9 H HA 0.145 4.701 4.556 -0.000 0.000 0.320 9 H C -1.526 173.797 175.328 -0.008 0.000 1.000 9 H CA -0.630 55.413 56.048 -0.008 0.000 1.413 9 H CB 0.862 30.619 29.762 -0.008 0.000 1.405 9 H HN 0.089 nan 8.280 nan 0.000 0.586 10 P HA -0.141 nan 4.420 nan 0.000 0.228 10 P C 0.742 178.011 177.300 -0.052 0.000 1.151 10 P CA 1.175 64.173 63.100 -0.170 0.000 0.770 10 P CB 0.562 32.137 31.700 -0.209 0.000 0.786 11 L N -1.755 119.525 121.223 0.094 0.000 2.515 11 L HA 0.143 4.483 4.340 -0.000 0.000 0.202 11 L C 2.587 179.574 176.870 0.195 0.000 1.056 11 L CA 0.250 55.205 54.840 0.192 0.000 0.847 11 L CB -0.655 41.544 42.059 0.232 0.000 1.131 11 L HN -0.187 nan 8.230 nan 0.000 0.484 12 L N 0.845 122.243 121.223 0.292 0.000 2.191 12 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 12 L C 2.569 179.477 176.870 0.064 0.000 1.103 12 L CA 1.232 56.114 54.840 0.071 0.000 0.769 12 L CB -0.484 41.544 42.059 -0.051 0.000 0.908 12 L HN 0.295 nan 8.230 nan 0.000 0.438 13 K N 0.469 120.927 120.400 0.096 0.000 2.288 13 K HA -0.118 4.202 4.320 -0.000 0.000 0.201 13 K C 1.961 178.578 176.600 0.029 0.000 1.048 13 K CA 1.021 57.338 56.287 0.050 0.000 0.956 13 K CB 0.090 32.616 32.500 0.044 0.000 0.746 13 K HN 0.320 nan 8.250 nan 0.000 0.461 14 M N 0.490 120.112 119.600 0.036 0.000 2.216 14 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 14 M C 2.217 178.524 176.300 0.011 0.000 1.080 14 M CA 1.127 56.440 55.300 0.023 0.000 1.153 14 M CB -0.288 32.327 32.600 0.024 0.000 1.356 14 M HN 0.050 nan 8.290 nan 0.000 0.432 15 I N 0.936 121.512 120.570 0.009 0.000 2.208 15 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 15 I C 2.281 178.383 176.117 -0.026 0.000 1.097 15 I CA 1.617 62.910 61.300 -0.012 0.000 1.363 15 I CB -0.837 37.155 38.000 -0.014 0.000 1.051 15 I HN 0.406 nan 8.210 nan 0.000 0.413 16 N N 1.553 120.245 118.700 -0.014 0.000 2.106 16 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 16 N C 1.349 176.845 175.510 -0.022 0.000 1.029 16 N CA 1.462 54.504 53.050 -0.014 0.000 0.848 16 N CB -0.204 38.282 38.487 -0.002 0.000 1.007 16 N HN 0.182 nan 8.380 nan 0.000 0.423 17 N N -0.494 118.193 118.700 -0.020 0.000 2.485 17 N HA 0.003 4.743 4.740 -0.000 0.000 0.199 17 N C -0.017 175.441 175.510 -0.087 0.000 1.236 17 N CA 0.777 53.804 53.050 -0.039 0.000 0.852 17 N CB 0.191 38.667 38.487 -0.018 0.000 1.018 17 N HN 0.499 nan 8.380 nan 0.000 0.457 18 S N -1.776 113.865 115.700 -0.099 0.000 2.800 18 S HA 0.262 4.732 4.470 -0.000 0.000 0.266 18 S C 0.488 174.933 174.600 -0.257 0.000 1.029 18 S CA -0.400 57.721 58.200 -0.133 0.000 1.302 18 S CB 0.207 63.492 63.200 0.142 0.000 1.212 18 S HN 0.123 nan 8.310 nan 0.000 0.683 19 L N 0.546 121.606 121.223 -0.272 0.000 3.902 19 L HA 0.529 4.869 4.340 -0.000 0.000 0.375 19 L C 0.178 177.006 176.870 -0.070 0.000 1.252 19 L CA 0.215 54.764 54.840 -0.485 0.000 1.221 19 L CB 0.507 42.378 42.059 -0.313 0.000 1.484 19 L HN 0.251 nan 8.230 nan 0.000 0.620 20 I N -1.449 119.155 120.570 0.056 0.000 4.199 20 I HA 0.085 4.255 4.170 -0.000 0.000 0.280 20 I C 0.295 176.519 176.117 0.177 0.000 1.122 20 I CA 0.241 61.653 61.300 0.187 0.000 1.318 20 I CB 0.940 38.974 38.000 0.057 0.000 1.737 20 I HN -0.042 nan 8.210 nan 0.000 0.428 21 D N 1.523 121.975 120.400 0.087 0.000 2.402 21 D HA 0.196 4.836 4.640 -0.000 0.000 0.216 21 D C 0.178 176.512 176.300 0.057 0.000 1.128 21 D CA -0.061 53.983 54.000 0.073 0.000 0.833 21 D CB 0.520 41.342 40.800 0.037 0.000 0.971 21 D HN -0.033 nan 8.370 nan 0.000 0.503 22 L N 1.839 123.093 121.223 0.051 0.000 2.477 22 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 22 L C -2.464 174.452 176.870 0.076 0.000 1.157 22 L CA -1.324 53.508 54.840 -0.013 0.000 0.889 22 L CB 0.353 42.340 42.059 -0.120 0.000 1.158 22 L HN -0.219 nan 8.230 nan 0.000 0.473 23 P HA 0.302 nan 4.420 nan 0.000 0.276 23 P C -1.301 176.039 177.300 0.068 0.000 1.264 23 P CA 0.001 63.139 63.100 0.062 0.000 0.769 23 P CB 0.998 32.713 31.700 0.025 0.000 0.840 24 A N 5.608 128.503 122.820 0.124 0.000 2.401 24 A HA 0.736 5.056 4.320 -0.000 0.000 0.310 24 A C -2.746 174.870 177.584 0.054 0.000 1.075 24 A CA -2.270 49.806 52.037 0.065 0.000 0.746 24 A CB 0.776 19.811 19.000 0.057 0.000 1.277 24 A HN 0.268 nan 8.150 nan 0.000 0.425 25 P HA 0.041 nan 4.420 nan 0.000 0.266 25 P C 0.998 178.297 177.300 -0.003 0.000 1.195 25 P CA 0.448 63.507 63.100 -0.067 0.000 0.768 25 P CB 0.828 32.417 31.700 -0.184 0.000 0.838 26 S N 1.655 117.347 115.700 -0.013 0.000 2.447 26 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 26 S C 1.186 175.752 174.600 -0.057 0.000 1.006 26 S CA 1.048 59.227 58.200 -0.034 0.000 0.957 26 S CB -0.790 62.362 63.200 -0.080 0.000 0.773 26 S HN 0.576 nan 8.310 nan 0.000 0.507 27 N N 2.122 120.764 118.700 -0.097 0.000 2.205 27 N HA 0.087 4.827 4.740 -0.000 0.000 0.201 27 N C 0.606 175.977 175.510 -0.232 0.000 1.128 27 N CA -0.213 52.759 53.050 -0.131 0.000 0.867 27 N CB -0.646 37.770 38.487 -0.119 0.000 0.996 27 N HN 0.719 nan 8.380 nan 0.000 0.503 28 I N 1.073 121.418 120.570 -0.375 0.000 2.906 28 I HA -0.016 4.154 4.170 -0.000 0.000 0.302 28 I C 0.828 176.764 176.117 -0.300 0.000 1.220 28 I CA -0.472 60.372 61.300 -0.759 0.000 1.441 28 I CB 0.240 37.594 38.000 -1.076 0.000 1.336 28 I HN 0.063 nan 8.210 nan 0.000 0.565 29 S N 4.845 120.421 115.700 -0.206 0.000 2.552 29 S HA 0.560 5.030 4.470 -0.000 0.000 0.271 29 S C 1.367 176.064 174.600 0.162 0.000 1.168 29 S CA -0.224 58.023 58.200 0.079 0.000 1.026 29 S CB 0.916 64.237 63.200 0.201 0.000 1.120 29 S HN 0.885 nan 8.310 nan 0.000 0.514 30 A N -0.655 122.175 122.820 0.015 0.000 2.014 30 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 30 A C 1.578 179.016 177.584 -0.243 0.000 1.163 30 A CA 0.603 52.529 52.037 -0.185 0.000 0.652 30 A CB -1.192 17.589 19.000 -0.365 0.000 0.808 30 A HN 0.851 nan 8.150 nan 0.000 0.449 31 W N -1.643 119.776 121.300 0.199 0.000 2.982 31 W HA 0.012 4.672 4.660 -0.000 0.000 0.239 31 W C 1.314 177.842 176.519 0.014 0.000 1.303 31 W CA -0.484 56.971 57.345 0.185 0.000 1.448 31 W CB -0.113 29.457 29.460 0.184 0.000 1.133 31 W HN 0.467 nan 8.180 nan 0.000 0.698 32 W N -0.539 120.772 121.300 0.019 0.000 3.008 32 W HA 0.056 4.716 4.660 -0.000 0.000 0.355 32 W C 0.765 177.262 176.519 -0.037 0.000 1.095 32 W CA -0.088 57.270 57.345 0.022 0.000 1.738 32 W CB -0.160 29.276 29.460 -0.041 0.000 1.091 32 W HN -0.090 nan 8.180 nan 0.000 0.574 33 N N 0.345 118.982 118.700 -0.105 0.000 2.409 33 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 33 N C 1.183 176.550 175.510 -0.238 0.000 1.032 33 N CA 1.035 53.958 53.050 -0.211 0.000 0.898 33 N CB -0.734 37.518 38.487 -0.391 0.000 0.971 33 N HN -0.079 nan 8.380 nan 0.000 0.441 34 F N 0.615 120.622 119.950 0.096 0.000 2.333 34 F HA 0.064 4.591 4.527 -0.000 0.000 0.300 34 F C 2.388 178.120 175.800 -0.113 0.000 1.083 34 F CA 0.634 58.639 58.000 0.008 0.000 1.395 34 F CB -1.093 37.960 39.000 0.088 0.000 1.056 34 F HN 0.059 nan 8.300 nan 0.000 0.529 35 G N -0.044 108.825 108.800 0.115 0.000 2.433 35 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 35 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 35 G C 1.828 176.701 174.900 -0.044 0.000 1.186 35 G CA 1.265 46.346 45.100 -0.031 0.000 0.779 35 G HN 0.447 nan 8.290 nan 0.000 0.543 36 S N 0.677 116.401 115.700 0.040 0.000 2.368 36 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 36 S C 2.365 176.961 174.600 -0.007 0.000 1.029 36 S CA 1.024 59.250 58.200 0.043 0.000 0.988 36 S CB -0.438 62.834 63.200 0.120 0.000 0.838 36 S HN 0.276 nan 8.310 nan 0.000 0.462 37 L N 0.990 122.209 121.223 -0.007 0.000 1.989 37 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 37 L C 2.739 179.517 176.870 -0.153 0.000 1.071 37 L CA 1.354 56.197 54.840 0.005 0.000 0.749 37 L CB -0.781 41.307 42.059 0.048 0.000 0.890 37 L HN 0.293 nan 8.230 nan 0.000 0.431 38 L N -0.452 120.599 121.223 -0.287 0.000 1.997 38 L HA -0.308 4.032 4.340 -0.000 0.000 0.216 38 L C 2.884 179.470 176.870 -0.474 0.000 1.074 38 L CA 1.486 55.993 54.840 -0.555 0.000 0.763 38 L CB -0.767 40.972 42.059 -0.533 0.000 0.890 38 L HN 0.321 nan 8.230 nan 0.000 0.434 39 A N -0.218 122.453 122.820 -0.248 0.000 1.834 39 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 39 A C 2.273 179.778 177.584 -0.132 0.000 1.203 39 A CA 2.243 54.190 52.037 -0.150 0.000 0.621 39 A CB -1.126 17.834 19.000 -0.066 0.000 0.841 39 A HN 0.188 nan 8.150 nan 0.000 0.446 40 V N -0.730 119.136 119.914 -0.080 0.000 2.250 40 V HA -0.396 3.724 4.120 -0.000 0.000 0.250 40 V C 2.721 178.781 176.094 -0.055 0.000 1.060 40 V CA 2.202 64.482 62.300 -0.034 0.000 1.030 40 V CB -1.489 30.347 31.823 0.022 0.000 0.643 40 V HN 0.819 nan 8.190 nan 0.000 0.445 41 C N -0.387 118.841 119.300 -0.120 0.000 2.376 41 C HA -0.225 4.235 4.460 -0.000 0.000 0.275 41 C C 2.664 177.567 174.990 -0.144 0.000 1.200 41 C CA 1.779 60.694 59.018 -0.172 0.000 1.756 41 C CB -1.121 26.291 27.740 -0.546 0.000 2.050 41 C HN 0.620 nan 8.230 nan 0.000 0.460 42 L N 1.016 122.110 121.223 -0.214 0.000 1.970 42 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 42 L C 2.438 179.317 176.870 0.015 0.000 1.071 42 L CA 2.528 57.416 54.840 0.081 0.000 0.751 42 L CB -0.802 41.280 42.059 0.037 0.000 0.889 42 L HN 0.399 nan 8.230 nan 0.000 0.432 43 M N -1.172 118.411 119.600 -0.028 0.000 2.195 43 M HA -0.205 4.275 4.480 -0.000 0.000 0.260 43 M C 1.820 178.116 176.300 -0.008 0.000 1.066 43 M CA 2.249 57.533 55.300 -0.027 0.000 1.089 43 M CB -0.887 31.701 32.600 -0.019 0.000 1.377 43 M HN 0.435 nan 8.290 nan 0.000 0.411 44 T N -1.328 113.235 114.554 0.016 0.000 2.851 44 T HA -0.054 4.296 4.350 -0.000 0.000 0.262 44 T C 1.889 176.636 174.700 0.077 0.000 1.043 44 T CA 0.609 62.736 62.100 0.044 0.000 1.140 44 T CB -0.200 68.706 68.868 0.063 0.000 0.872 44 T HN 0.267 nan 8.240 nan 0.000 0.446 45 Q N 1.041 120.894 119.800 0.088 0.000 2.030 45 Q HA 0.037 4.377 4.340 -0.000 0.000 0.204 45 Q C 2.489 178.556 176.000 0.112 0.000 0.986 45 Q CA 1.276 57.142 55.803 0.106 0.000 0.843 45 Q CB -0.686 28.073 28.738 0.035 0.000 0.904 45 Q HN 0.550 nan 8.270 nan 0.000 0.420 46 I N 0.391 120.945 120.570 -0.026 0.000 2.248 46 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 46 I C 2.284 178.355 176.117 -0.078 0.000 1.107 46 I CA 0.709 61.924 61.300 -0.143 0.000 1.373 46 I CB -0.257 37.586 38.000 -0.261 0.000 1.055 46 I HN 0.151 nan 8.210 nan 0.000 0.418 47 L N 0.500 121.712 121.223 -0.018 0.000 2.023 47 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 47 L C 2.799 179.671 176.870 0.003 0.000 1.073 47 L CA 2.477 57.315 54.840 -0.003 0.000 0.745 47 L CB -0.891 41.172 42.059 0.007 0.000 0.900 47 L HN 0.409 nan 8.230 nan 0.000 0.435 48 T N -3.462 111.125 114.554 0.054 0.000 2.746 48 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 48 T C 1.976 176.620 174.700 -0.093 0.000 1.039 48 T CA 0.967 63.099 62.100 0.053 0.000 1.142 48 T CB -1.529 67.459 68.868 0.201 0.000 0.866 48 T HN 0.390 nan 8.240 nan 0.000 0.444 49 G N 1.644 110.363 108.800 -0.134 0.000 2.446 49 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.217 49 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.217 49 G C 1.557 176.294 174.900 -0.272 0.000 1.168 49 G CA 0.807 45.648 45.100 -0.431 0.000 0.771 49 G HN 0.510 nan 8.290 nan 0.000 0.551 50 L N -0.198 120.909 121.223 -0.192 0.000 1.989 50 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 50 L C 2.952 179.799 176.870 -0.037 0.000 1.071 50 L CA 0.772 55.532 54.840 -0.134 0.000 0.749 50 L CB -0.430 41.606 42.059 -0.038 0.000 0.890 50 L HN 0.186 nan 8.230 nan 0.000 0.431 51 L N -0.660 120.552 121.223 -0.018 0.000 2.081 51 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 51 L C 2.442 179.372 176.870 0.100 0.000 1.080 51 L CA 1.295 56.161 54.840 0.043 0.000 0.754 51 L CB -0.291 41.788 42.059 0.032 0.000 0.893 51 L HN 0.305 nan 8.230 nan 0.000 0.433 52 L N -1.249 119.980 121.223 0.011 0.000 2.068 52 L HA -0.090 4.250 4.340 -0.000 0.000 0.204 52 L C 2.765 179.702 176.870 0.113 0.000 1.076 52 L CA 0.908 55.775 54.840 0.045 0.000 0.753 52 L CB -0.742 41.242 42.059 -0.126 0.000 0.910 52 L HN 0.199 nan 8.230 nan 0.000 0.439 53 A N 0.015 122.883 122.820 0.080 0.000 2.139 53 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 53 A C 2.146 179.858 177.584 0.212 0.000 1.159 53 A CA 1.470 53.660 52.037 0.255 0.000 0.662 53 A CB -0.518 18.645 19.000 0.271 0.000 0.796 53 A HN 0.428 nan 8.150 nan 0.000 0.463 54 M N -1.683 117.962 119.600 0.075 0.000 2.618 54 M HA 0.021 4.501 4.480 -0.000 0.000 0.240 54 M C 0.685 176.742 176.300 -0.404 0.000 1.123 54 M CA 0.947 56.170 55.300 -0.129 0.000 1.060 54 M CB -0.221 32.250 32.600 -0.214 0.000 1.535 54 M HN 0.581 nan 8.290 nan 0.000 0.507 55 H N -3.059 116.083 119.070 0.119 0.000 3.398 55 H HA 0.168 4.724 4.556 -0.000 0.000 0.260 55 H C -0.584 174.809 175.328 0.108 0.000 1.189 55 H CA -0.392 55.727 56.048 0.118 0.000 1.145 55 H CB 0.599 30.455 29.762 0.157 0.000 1.599 55 H HN 0.168 nan 8.280 nan 0.000 0.615 56 Y N 1.597 121.906 120.300 0.016 0.000 2.301 56 Y HA 0.429 4.979 4.550 -0.000 0.000 0.325 56 Y C -0.263 175.513 175.900 -0.207 0.000 1.203 56 Y CA -0.288 57.747 58.100 -0.108 0.000 1.255 56 Y CB 1.156 39.504 38.460 -0.188 0.000 1.232 56 Y HN -0.115 nan 8.280 nan 0.000 0.501 57 T N 5.679 119.626 114.554 -1.012 0.000 2.864 57 T HA 0.526 4.876 4.350 -0.000 0.000 0.299 57 T C -0.702 173.270 174.700 -1.213 0.000 1.011 57 T CA -0.487 61.111 62.100 -0.837 0.000 0.975 57 T CB 0.501 69.094 68.868 -0.458 0.000 0.962 57 T HN 0.785 nan 8.240 nan 0.000 0.448 58 A N 3.788 126.026 122.820 -0.970 0.000 2.906 58 A HA 0.515 4.835 4.320 -0.000 0.000 0.289 58 A C 0.019 177.352 177.584 -0.418 0.000 1.675 58 A CA -0.135 51.508 52.037 -0.658 0.000 1.372 58 A CB -0.588 18.223 19.000 -0.315 0.000 1.091 58 A HN 0.817 nan 8.150 nan 0.000 0.579 59 D N 0.406 120.531 120.400 -0.458 0.000 2.931 59 D HA 0.262 4.902 4.640 -0.000 0.000 0.215 59 D C 1.288 177.325 176.300 -0.437 0.000 1.297 59 D CA 0.295 54.069 54.000 -0.377 0.000 0.892 59 D CB 1.176 41.807 40.800 -0.282 0.000 1.642 59 D HN 0.240 nan 8.370 nan 0.000 0.560 60 T N -0.014 114.215 114.554 -0.542 0.000 2.760 60 T HA -0.270 4.080 4.350 -0.000 0.000 0.269 60 T C 1.767 176.317 174.700 -0.250 0.000 1.047 60 T CA 1.823 63.548 62.100 -0.625 0.000 1.139 60 T CB -0.443 68.163 68.868 -0.436 0.000 0.855 60 T HN 0.337 nan 8.240 nan 0.000 0.471 61 S N 0.837 116.427 115.700 -0.183 0.000 2.522 61 S HA 0.236 4.706 4.470 -0.000 0.000 0.227 61 S C 1.617 176.172 174.600 -0.076 0.000 0.986 61 S CA 0.275 58.418 58.200 -0.095 0.000 0.929 61 S CB -0.424 62.721 63.200 -0.091 0.000 0.769 61 S HN 0.638 nan 8.310 nan 0.000 0.529 62 L N -0.577 120.569 121.223 -0.128 0.000 3.174 62 L HA 0.493 4.833 4.340 -0.000 0.000 0.283 62 L C 2.411 179.208 176.870 -0.121 0.000 1.187 62 L CA 0.378 55.151 54.840 -0.112 0.000 1.018 62 L CB -0.404 41.552 42.059 -0.171 0.000 1.433 62 L HN 0.253 nan 8.230 nan 0.000 0.593 63 A N 1.310 124.036 122.820 -0.156 0.000 1.849 63 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 63 A C 2.067 179.742 177.584 0.151 0.000 1.202 63 A CA 2.159 54.148 52.037 -0.079 0.000 0.629 63 A CB -0.941 18.041 19.000 -0.029 0.000 0.834 63 A HN 0.379 nan 8.150 nan 0.000 0.447 64 F N 1.887 121.904 119.950 0.112 0.000 2.091 64 F HA -0.266 4.261 4.527 -0.000 0.000 0.299 64 F C 2.809 178.647 175.800 0.063 0.000 1.103 64 F CA 2.541 60.605 58.000 0.106 0.000 1.228 64 F CB -0.230 38.834 39.000 0.108 0.000 0.984 64 F HN 0.331 nan 8.300 nan 0.000 0.477 65 S N -0.549 115.308 115.700 0.261 0.000 2.428 65 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 65 S C 2.150 176.789 174.600 0.064 0.000 1.014 65 S CA 0.874 59.171 58.200 0.161 0.000 0.957 65 S CB -1.129 62.169 63.200 0.162 0.000 0.784 65 S HN 0.557 nan 8.310 nan 0.000 0.499 66 S N 1.660 117.374 115.700 0.024 0.000 2.383 66 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 66 S C 1.816 176.490 174.600 0.124 0.000 1.026 66 S CA 0.932 59.151 58.200 0.032 0.000 0.981 66 S CB -1.030 62.116 63.200 -0.089 0.000 0.818 66 S HN 0.335 nan 8.310 nan 0.000 0.472 67 V N 2.720 122.674 119.914 0.066 0.000 2.261 67 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 67 V C 3.188 179.246 176.094 -0.060 0.000 1.047 67 V CA 1.784 64.084 62.300 -0.000 0.000 1.015 67 V CB -1.509 30.239 31.823 -0.126 0.000 0.642 67 V HN 0.665 nan 8.190 nan 0.000 0.446 68 A N -0.538 122.190 122.820 -0.153 0.000 1.892 68 A HA -0.350 3.970 4.320 -0.000 0.000 0.218 68 A C 2.249 179.838 177.584 0.008 0.000 1.188 68 A CA 2.341 54.313 52.037 -0.107 0.000 0.631 68 A CB -1.041 17.903 19.000 -0.095 0.000 0.822 68 A HN 0.778 nan 8.150 nan 0.000 0.447 69 H N -0.053 119.000 119.070 -0.028 0.000 2.319 69 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 69 H C 1.946 177.261 175.328 -0.021 0.000 1.092 69 H CA 2.187 58.230 56.048 -0.008 0.000 1.302 69 H CB -0.485 29.281 29.762 0.006 0.000 1.373 69 H HN 0.416 nan 8.280 nan 0.000 0.497 70 T N 0.463 115.020 114.554 0.005 0.000 2.720 70 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 70 T C 2.499 177.117 174.700 -0.136 0.000 1.037 70 T CA 1.458 63.499 62.100 -0.099 0.000 1.144 70 T CB -0.650 68.237 68.868 0.032 0.000 0.864 70 T HN 0.468 nan 8.240 nan 0.000 0.444 71 C N 1.061 120.332 119.300 -0.050 0.000 2.489 71 C HA 0.056 4.516 4.460 -0.000 0.000 0.279 71 C C 2.887 177.896 174.990 0.031 0.000 1.266 71 C CA 0.323 59.365 59.018 0.040 0.000 1.707 71 C CB -0.876 26.902 27.740 0.064 0.000 2.059 71 C HN 0.536 nan 8.230 nan 0.000 0.481 72 R N 1.007 121.485 120.500 -0.037 0.000 2.115 72 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 72 R C 1.517 177.749 176.300 -0.113 0.000 1.100 72 R CA 1.121 57.189 56.100 -0.053 0.000 0.980 72 R CB -0.138 30.143 30.300 -0.032 0.000 0.875 72 R HN 0.618 nan 8.270 nan 0.000 0.445 73 N N -0.514 118.036 118.700 -0.250 0.000 2.460 73 N HA 0.044 4.784 4.740 -0.000 0.000 0.193 73 N C -0.030 175.313 175.510 -0.280 0.000 1.080 73 N CA 0.209 53.087 53.050 -0.287 0.000 0.869 73 N CB 0.633 38.861 38.487 -0.432 0.000 1.201 73 N HN -0.123 nan 8.380 nan 0.000 0.457 74 V N 4.077 123.772 119.914 -0.364 0.000 2.521 74 V HA 0.016 4.136 4.120 -0.000 0.000 0.286 74 V C 0.487 176.462 176.094 -0.198 0.000 1.034 74 V CA -0.389 61.716 62.300 -0.326 0.000 1.045 74 V CB 0.595 32.103 31.823 -0.526 0.000 0.974 74 V HN 0.166 nan 8.190 nan 0.000 0.480 75 Q N 4.490 124.206 119.800 -0.141 0.000 2.320 75 Q HA -0.055 4.285 4.340 -0.000 0.000 0.311 75 Q C 0.381 176.328 176.000 -0.088 0.000 1.083 75 Q CA 0.533 56.260 55.803 -0.126 0.000 1.001 75 Q CB -0.430 28.320 28.738 0.019 0.000 1.074 75 Q HN 0.807 nan 8.270 nan 0.000 0.379 76 Y N -0.106 120.129 120.300 -0.108 0.000 4.656 76 Y HA -0.354 4.196 4.550 -0.000 0.000 0.221 76 Y C 1.607 177.221 175.900 -0.477 0.000 1.045 76 Y CA 0.728 58.603 58.100 -0.376 0.000 1.926 76 Y CB -1.758 36.517 38.460 -0.307 0.000 1.618 76 Y HN 0.802 nan 8.280 nan 0.000 0.615 77 G N 0.686 109.361 108.800 -0.208 0.000 2.440 77 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 77 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 77 G C 1.359 176.175 174.900 -0.140 0.000 1.154 77 G CA 1.006 46.003 45.100 -0.172 0.000 0.767 77 G HN 0.811 nan 8.290 nan 0.000 0.552 78 W N 0.705 121.973 121.300 -0.053 0.000 2.342 78 W HA -0.076 4.584 4.660 -0.000 0.000 0.297 78 W C 1.749 178.280 176.519 0.020 0.000 1.213 78 W CA 0.902 58.233 57.345 -0.023 0.000 1.251 78 W CB -1.069 28.368 29.460 -0.037 0.000 1.136 78 W HN 0.204 nan 8.180 nan 0.000 0.526 79 L N 1.867 122.371 121.223 -1.198 0.000 2.007 79 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 79 L C 2.651 179.281 176.870 -0.400 0.000 1.073 79 L CA 1.882 56.036 54.840 -1.143 0.000 0.744 79 L CB -1.211 40.032 42.059 -1.361 0.000 0.898 79 L HN -0.077 nan 8.230 nan 0.000 0.435 80 I N -0.489 119.895 120.570 -0.309 0.000 2.194 80 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 80 I C 2.713 178.819 176.117 -0.019 0.000 1.093 80 I CA 1.198 62.423 61.300 -0.124 0.000 1.355 80 I CB -0.565 37.378 38.000 -0.095 0.000 1.046 80 I HN 0.354 nan 8.210 nan 0.000 0.413 81 R N 1.590 122.081 120.500 -0.015 0.000 2.080 81 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 81 R C 1.821 178.206 176.300 0.143 0.000 1.137 81 R CA 1.988 58.128 56.100 0.067 0.000 0.943 81 R CB -1.017 29.322 30.300 0.065 0.000 0.846 81 R HN 0.527 nan 8.270 nan 0.000 0.431 82 N N 0.389 119.170 118.700 0.135 0.000 1.997 82 N HA -0.213 4.527 4.740 -0.000 0.000 0.198 82 N C 2.080 177.718 175.510 0.215 0.000 1.063 82 N CA 1.817 54.980 53.050 0.188 0.000 0.860 82 N CB -0.402 38.194 38.487 0.183 0.000 1.063 82 N HN 0.112 nan 8.380 nan 0.000 0.424 83 L N 0.312 121.619 121.223 0.141 0.000 2.082 83 L HA -0.317 4.023 4.340 -0.000 0.000 0.223 83 L C 2.526 179.597 176.870 0.334 0.000 1.086 83 L CA 1.637 56.605 54.840 0.214 0.000 0.793 83 L CB -0.774 41.322 42.059 0.062 0.000 0.896 83 L HN 0.376 nan 8.230 nan 0.000 0.441 84 H N -0.606 118.560 119.070 0.159 0.000 2.276 84 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 84 H C 2.137 177.574 175.328 0.182 0.000 1.073 84 H CA 1.733 57.870 56.048 0.148 0.000 1.311 84 H CB -0.077 29.742 29.762 0.094 0.000 1.379 84 H HN 0.301 nan 8.280 nan 0.000 0.494 85 A N 0.087 123.059 122.820 0.253 0.000 1.933 85 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 85 A C 2.161 179.886 177.584 0.236 0.000 1.175 85 A CA 1.992 54.161 52.037 0.219 0.000 0.628 85 A CB -0.647 18.502 19.000 0.249 0.000 0.814 85 A HN 0.668 nan 8.150 nan 0.000 0.444 86 N N -0.468 118.412 118.700 0.300 0.000 2.300 86 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 86 N C 1.764 177.372 175.510 0.164 0.000 1.016 86 N CA 0.820 54.085 53.050 0.359 0.000 0.876 86 N CB -0.259 38.568 38.487 0.567 0.000 0.979 86 N HN 0.464 nan 8.380 nan 0.000 0.432 87 G N 0.552 109.424 108.800 0.120 0.000 2.448 87 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 87 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 87 G C 1.552 176.454 174.900 0.002 0.000 1.127 87 G CA 0.841 45.879 45.100 -0.103 0.000 0.766 87 G HN 0.371 nan 8.290 nan 0.000 0.552 88 A N 0.733 123.562 122.820 0.016 0.000 1.902 88 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 88 A C 2.712 180.344 177.584 0.081 0.000 1.181 88 A CA 2.273 54.304 52.037 -0.010 0.000 0.623 88 A CB -0.650 18.364 19.000 0.024 0.000 0.818 88 A HN 0.317 nan 8.150 nan 0.000 0.443 89 S N -1.267 114.568 115.700 0.224 0.000 2.344 89 S HA -0.114 4.356 4.470 -0.000 0.000 0.217 89 S C 1.656 176.490 174.600 0.389 0.000 1.033 89 S CA 1.363 59.826 58.200 0.439 0.000 1.017 89 S CB -0.591 63.019 63.200 0.683 0.000 0.941 89 S HN 0.599 nan 8.310 nan 0.000 0.430 90 F N 1.707 121.646 119.950 -0.018 0.000 2.085 90 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 90 F C 1.882 177.643 175.800 -0.065 0.000 1.096 90 F CA 1.519 59.424 58.000 -0.159 0.000 1.227 90 F CB -0.619 37.978 39.000 -0.673 0.000 0.983 90 F HN 0.189 nan 8.300 nan 0.000 0.482 91 F N -0.057 119.806 119.950 -0.145 0.000 2.043 91 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 91 F C 2.230 177.723 175.800 -0.513 0.000 1.121 91 F CA 2.056 59.842 58.000 -0.357 0.000 1.199 91 F CB -1.231 37.519 39.000 -0.417 0.000 0.968 91 F HN 0.002 nan 8.300 nan 0.000 0.478 92 F N 0.005 119.819 119.950 -0.227 0.000 2.095 92 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 92 F C 2.430 178.033 175.800 -0.329 0.000 1.104 92 F CA 1.611 59.260 58.000 -0.585 0.000 1.232 92 F CB -0.748 37.733 39.000 -0.866 0.000 0.987 92 F HN -0.069 nan 8.300 nan 0.000 0.475 93 I N -0.772 120.021 120.570 0.372 0.000 2.068 93 I HA -0.437 3.733 4.170 -0.000 0.000 0.238 93 I C 2.540 178.615 176.117 -0.071 0.000 1.046 93 I CA 1.563 63.073 61.300 0.350 0.000 1.306 93 I CB -0.756 37.347 38.000 0.172 0.000 1.023 93 I HN 0.241 nan 8.210 nan 0.000 0.399 94 C N 0.405 119.499 119.300 -0.342 0.000 2.398 94 C HA -0.232 4.228 4.460 -0.000 0.000 0.276 94 C C 2.754 177.525 174.990 -0.365 0.000 1.222 94 C CA 0.919 59.651 59.018 -0.477 0.000 1.746 94 C CB -0.888 26.501 27.740 -0.584 0.000 2.039 94 C HN 0.509 nan 8.230 nan 0.000 0.470 95 I N -0.478 119.870 120.570 -0.371 0.000 2.676 95 I HA -0.135 4.035 4.170 -0.000 0.000 0.259 95 I C 1.857 177.847 176.117 -0.211 0.000 1.194 95 I CA 1.384 62.485 61.300 -0.331 0.000 1.473 95 I CB -0.142 37.573 38.000 -0.475 0.000 1.096 95 I HN 0.204 nan 8.210 nan 0.000 0.443 96 F N 0.504 120.436 119.950 -0.031 0.000 2.234 96 F HA -0.069 4.457 4.527 -0.000 0.000 0.296 96 F C 2.148 177.915 175.800 -0.055 0.000 1.089 96 F CA 1.053 59.049 58.000 -0.008 0.000 1.343 96 F CB -0.809 38.234 39.000 0.071 0.000 1.040 96 F HN -0.042 nan 8.300 nan 0.000 0.498 97 L N -1.050 120.179 121.223 0.010 0.000 2.056 97 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 97 L C 2.482 179.365 176.870 0.022 0.000 1.078 97 L CA 1.516 56.296 54.840 -0.099 0.000 0.749 97 L CB -0.941 40.739 42.059 -0.632 0.000 0.901 97 L HN 0.139 nan 8.230 nan 0.000 0.433 98 H N 0.514 119.523 119.070 -0.101 0.000 2.353 98 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 98 H C 2.159 177.515 175.328 0.047 0.000 1.103 98 H CA 1.986 58.062 56.048 0.047 0.000 1.293 98 H CB -0.004 29.758 29.762 -0.001 0.000 1.372 98 H HN 0.196 nan 8.280 nan 0.000 0.501 99 I N -0.592 120.031 120.570 0.087 0.000 2.163 99 I HA -0.165 4.005 4.170 -0.000 0.000 0.240 99 I C 2.778 178.972 176.117 0.128 0.000 1.081 99 I CA 1.061 62.405 61.300 0.072 0.000 1.353 99 I CB -0.788 37.263 38.000 0.085 0.000 1.054 99 I HN 0.465 nan 8.210 nan 0.000 0.407 100 G N 1.232 110.096 108.800 0.106 0.000 2.553 100 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.218 100 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.218 100 G C 1.776 176.733 174.900 0.095 0.000 1.195 100 G CA 0.877 46.050 45.100 0.121 0.000 0.779 100 G HN 0.191 nan 8.290 nan 0.000 0.577 101 R N 1.275 121.769 120.500 -0.010 0.000 2.133 101 R HA -0.149 4.191 4.340 -0.000 0.000 0.245 101 R C 2.687 178.993 176.300 0.010 0.000 1.137 101 R CA 2.529 58.599 56.100 -0.050 0.000 0.947 101 R CB -1.493 28.756 30.300 -0.084 0.000 0.865 101 R HN 0.323 nan 8.270 nan 0.000 0.437 102 G N 1.082 109.873 108.800 -0.016 0.000 2.432 102 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 102 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 102 G C 1.525 176.514 174.900 0.148 0.000 1.135 102 G CA 0.748 45.889 45.100 0.069 0.000 0.767 102 G HN 0.370 nan 8.290 nan 0.000 0.550 103 L N -0.787 120.571 121.223 0.225 0.000 2.023 103 L HA 0.119 4.459 4.340 -0.000 0.000 0.205 103 L C 2.460 179.367 176.870 0.062 0.000 1.073 103 L CA 1.539 56.503 54.840 0.207 0.000 0.745 103 L CB -0.891 41.305 42.059 0.229 0.000 0.900 103 L HN 0.293 nan 8.230 nan 0.000 0.435 104 Y N -0.471 119.678 120.300 -0.252 0.000 2.097 104 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 104 Y C 1.478 177.039 175.900 -0.565 0.000 1.152 104 Y CA 2.008 59.683 58.100 -0.710 0.000 1.136 104 Y CB -0.397 37.329 38.460 -1.224 0.000 0.975 104 Y HN 0.289 nan 8.280 nan 0.000 0.498 105 Y N 0.343 120.540 120.300 -0.173 0.000 2.596 105 Y HA 0.272 4.822 4.550 -0.000 0.000 0.316 105 Y C 1.663 177.349 175.900 -0.356 0.000 1.156 105 Y CA 0.062 58.045 58.100 -0.196 0.000 1.300 105 Y CB -0.204 38.299 38.460 0.072 0.000 1.130 105 Y HN 0.280 nan 8.280 nan 0.000 0.518 106 G N -0.396 108.153 108.800 -0.419 0.000 2.269 106 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.277 106 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.277 106 G C 1.330 175.492 174.900 -1.230 0.000 1.008 106 G CA 0.865 45.315 45.100 -1.083 0.000 0.774 106 G HN 0.455 nan 8.290 nan 0.000 0.511 107 S N -0.486 114.798 115.700 -0.693 0.000 2.420 107 S HA -0.183 4.287 4.470 -0.000 0.000 0.237 107 S C 1.875 176.145 174.600 -0.551 0.000 1.023 107 S CA 1.806 59.685 58.200 -0.534 0.000 0.991 107 S CB -0.421 62.663 63.200 -0.193 0.000 0.792 107 S HN 1.030 nan 8.310 nan 0.000 0.488 108 Y N 0.617 120.591 120.300 -0.544 0.000 2.716 108 Y HA 0.173 4.723 4.550 -0.000 0.000 0.302 108 Y C 1.401 176.924 175.900 -0.628 0.000 1.160 108 Y CA -0.037 57.512 58.100 -0.919 0.000 1.362 108 Y CB -0.979 36.222 38.460 -2.097 0.000 0.988 108 Y HN 0.153 nan 8.280 nan 0.000 0.546 109 L N -0.576 120.193 121.223 -0.758 0.000 2.465 109 L HA -0.086 4.254 4.340 -0.000 0.000 0.224 109 L C 0.335 177.114 176.870 -0.151 0.000 1.145 109 L CA 0.403 54.956 54.840 -0.478 0.000 0.834 109 L CB -0.343 41.339 42.059 -0.629 0.000 0.944 109 L HN 0.256 nan 8.230 nan 0.000 0.451 110 Y N 0.782 120.987 120.300 -0.158 0.000 2.903 110 Y HA 0.091 4.641 4.550 -0.000 0.000 0.387 110 Y C 1.490 177.394 175.900 0.007 0.000 1.189 110 Y CA -1.069 57.002 58.100 -0.048 0.000 1.856 110 Y CB -0.953 37.503 38.460 -0.007 0.000 1.917 110 Y HN 0.046 nan 8.280 nan 0.000 0.448 111 K N 0.303 120.771 120.400 0.114 0.000 2.081 111 K HA -0.353 3.967 4.320 -0.000 0.000 0.222 111 K C 1.448 178.095 176.600 0.079 0.000 1.055 111 K CA 2.675 59.010 56.287 0.080 0.000 0.954 111 K CB 0.075 32.586 32.500 0.018 0.000 0.732 111 K HN 0.485 nan 8.250 nan 0.000 0.458 112 E N -0.350 119.791 120.200 -0.099 0.000 2.047 112 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 112 E C 2.090 178.496 176.600 -0.323 0.000 0.987 112 E CA 1.666 57.793 56.400 -0.456 0.000 0.799 112 E CB -0.218 28.791 29.700 -1.151 0.000 0.752 112 E HN 0.271 nan 8.360 nan 0.000 0.449 113 T N 0.824 115.322 114.554 -0.093 0.000 2.737 113 T HA -0.217 4.133 4.350 -0.000 0.000 0.269 113 T C 1.216 176.043 174.700 0.212 0.000 1.040 113 T CA 1.279 63.396 62.100 0.028 0.000 1.142 113 T CB -0.319 68.574 68.868 0.042 0.000 0.861 113 T HN 0.398 nan 8.240 nan 0.000 0.456 114 W N 2.495 123.835 121.300 0.068 0.000 2.381 114 W HA -0.135 4.525 4.660 -0.000 0.000 0.321 114 W C 1.899 178.488 176.519 0.117 0.000 1.196 114 W CA 0.915 58.327 57.345 0.112 0.000 1.304 114 W CB -0.577 28.929 29.460 0.076 0.000 1.166 114 W HN 0.191 nan 8.180 nan 0.000 0.473 115 N N 0.349 119.202 118.700 0.254 0.000 2.137 115 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 115 N C 1.753 177.350 175.510 0.145 0.000 1.017 115 N CA 3.006 56.211 53.050 0.257 0.000 0.859 115 N CB -1.027 37.634 38.487 0.290 0.000 1.002 115 N HN 0.344 nan 8.380 nan 0.000 0.428 116 T N -2.125 112.491 114.554 0.103 0.000 2.821 116 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 116 T C 2.106 176.806 174.700 0.001 0.000 1.046 116 T CA 1.336 63.511 62.100 0.125 0.000 1.139 116 T CB -0.829 68.196 68.868 0.262 0.000 0.871 116 T HN 0.193 nan 8.240 nan 0.000 0.454 117 G N 1.385 110.169 108.800 -0.026 0.000 2.421 117 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 117 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 117 G C 1.661 176.337 174.900 -0.374 0.000 1.171 117 G CA 1.055 45.968 45.100 -0.312 0.000 0.775 117 G HN 0.487 nan 8.290 nan 0.000 0.543 118 V N 1.371 120.998 119.914 -0.479 0.000 2.287 118 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 118 V C 2.791 178.707 176.094 -0.298 0.000 1.053 118 V CA 1.687 63.650 62.300 -0.563 0.000 1.027 118 V CB -0.482 30.756 31.823 -0.975 0.000 0.646 118 V HN 0.402 nan 8.190 nan 0.000 0.447 119 I N -0.613 119.898 120.570 -0.098 0.000 2.208 119 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 119 I C 2.409 178.480 176.117 -0.075 0.000 1.097 119 I CA 1.577 62.881 61.300 0.006 0.000 1.363 119 I CB -0.335 37.716 38.000 0.085 0.000 1.051 119 I HN 0.281 nan 8.210 nan 0.000 0.413 120 L N -0.038 121.099 121.223 -0.143 0.000 2.012 120 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 120 L C 2.602 179.352 176.870 -0.199 0.000 1.073 120 L CA 1.183 55.915 54.840 -0.180 0.000 0.748 120 L CB -0.501 41.397 42.059 -0.269 0.000 0.891 120 L HN 0.277 nan 8.230 nan 0.000 0.431 121 L N -0.193 120.896 121.223 -0.224 0.000 1.989 121 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 121 L C 2.368 179.164 176.870 -0.124 0.000 1.071 121 L CA 1.776 56.489 54.840 -0.211 0.000 0.749 121 L CB -0.485 41.457 42.059 -0.196 0.000 0.890 121 L HN 0.098 nan 8.230 nan 0.000 0.431 122 L N -1.031 120.141 121.223 -0.085 0.000 2.013 122 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 122 L C 2.405 179.266 176.870 -0.014 0.000 1.073 122 L CA 2.073 56.904 54.840 -0.015 0.000 0.753 122 L CB -1.260 40.803 42.059 0.006 0.000 0.890 122 L HN 0.347 nan 8.230 nan 0.000 0.432 123 T N 0.176 114.700 114.554 -0.050 0.000 2.746 123 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 123 T C 1.817 176.457 174.700 -0.101 0.000 1.039 123 T CA 1.440 63.507 62.100 -0.055 0.000 1.142 123 T CB -0.299 68.530 68.868 -0.066 0.000 0.866 123 T HN 0.154 nan 8.240 nan 0.000 0.444 124 L N 0.767 121.867 121.223 -0.206 0.000 2.079 124 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 124 L C 2.253 179.022 176.870 -0.169 0.000 1.081 124 L CA 1.710 56.324 54.840 -0.376 0.000 0.752 124 L CB -0.628 41.018 42.059 -0.688 0.000 0.896 124 L HN 0.268 nan 8.230 nan 0.000 0.433 125 M N -0.944 118.675 119.600 0.032 0.000 2.067 125 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 125 M C 2.365 178.870 176.300 0.342 0.000 1.069 125 M CA 1.874 57.398 55.300 0.373 0.000 1.117 125 M CB -0.734 32.105 32.600 0.398 0.000 1.334 125 M HN 0.427 nan 8.290 nan 0.000 0.407 126 A N 0.281 123.202 122.820 0.169 0.000 1.892 126 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 126 A C 2.208 179.920 177.584 0.214 0.000 1.188 126 A CA 2.530 54.666 52.037 0.166 0.000 0.631 126 A CB -1.383 17.666 19.000 0.082 0.000 0.822 126 A HN 0.512 nan 8.150 nan 0.000 0.447 127 T N 0.449 115.079 114.554 0.127 0.000 2.607 127 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 127 T C 2.198 177.069 174.700 0.285 0.000 1.049 127 T CA 2.145 64.331 62.100 0.144 0.000 1.162 127 T CB -0.636 68.201 68.868 -0.051 0.000 0.863 127 T HN 0.671 nan 8.240 nan 0.000 0.424 128 A N 0.709 123.679 122.820 0.251 0.000 2.019 128 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 128 A C 1.994 179.822 177.584 0.407 0.000 1.164 128 A CA 1.211 53.437 52.037 0.315 0.000 0.644 128 A CB -0.908 18.280 19.000 0.314 0.000 0.805 128 A HN 0.461 nan 8.150 nan 0.000 0.449 129 F N 1.344 121.461 119.950 0.278 0.000 2.075 129 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 129 F C 2.364 178.244 175.800 0.133 0.000 1.113 129 F CA 2.218 60.328 58.000 0.183 0.000 1.218 129 F CB -0.573 38.445 39.000 0.031 0.000 0.984 129 F HN 0.130 nan 8.300 nan 0.000 0.472 130 V N -0.930 118.908 119.914 -0.128 0.000 2.453 130 V HA 0.015 4.135 4.120 -0.000 0.000 0.247 130 V C 2.529 178.528 176.094 -0.158 0.000 1.048 130 V CA 1.706 63.830 62.300 -0.294 0.000 1.049 130 V CB -2.041 29.602 31.823 -0.300 0.000 0.672 130 V HN 0.382 nan 8.190 nan 0.000 0.457 131 G N -1.098 107.498 108.800 -0.340 0.000 2.442 131 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 131 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 131 G C 1.520 176.298 174.900 -0.204 0.000 1.141 131 G CA 1.241 45.838 45.100 -0.839 0.000 0.763 131 G HN 0.599 nan 8.290 nan 0.000 0.554 132 Y N 1.000 121.229 120.300 -0.119 0.000 2.333 132 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 132 Y C 2.788 178.684 175.900 -0.006 0.000 1.144 132 Y CA 0.909 58.995 58.100 -0.024 0.000 1.228 132 Y CB -0.036 38.443 38.460 0.033 0.000 0.985 132 Y HN 0.061 nan 8.280 nan 0.000 0.542 133 V N 0.002 119.926 119.914 0.016 0.000 2.667 133 V HA -0.288 3.832 4.120 -0.000 0.000 0.252 133 V C 2.352 178.563 176.094 0.195 0.000 1.065 133 V CA 1.453 63.807 62.300 0.090 0.000 1.083 133 V CB -0.673 31.302 31.823 0.255 0.000 0.692 133 V HN 0.396 nan 8.190 nan 0.000 0.468 134 L N 0.995 122.276 121.223 0.098 0.000 2.051 134 L HA -0.145 4.195 4.340 -0.000 0.000 0.214 134 L C 0.108 177.061 176.870 0.138 0.000 1.076 134 L CA 1.825 56.715 54.840 0.083 0.000 0.758 134 L CB -2.058 39.871 42.059 -0.216 0.000 0.890 134 L HN 0.402 nan 8.230 nan 0.000 0.433 135 P HA -0.236 nan 4.420 nan 0.000 0.242 135 P C 0.324 177.781 177.300 0.260 0.000 1.197 135 P CA 0.401 63.531 63.100 0.051 0.000 0.765 135 P CB -0.213 31.410 31.700 -0.128 0.000 0.936 136 W N 0.718 122.035 121.300 0.029 0.000 6.905 136 W HA -0.155 4.504 4.660 -0.000 0.000 0.419 136 W C -0.215 176.398 176.519 0.156 0.000 1.653 136 W CA 0.388 57.785 57.345 0.086 0.000 1.131 136 W CB -1.244 28.279 29.460 0.106 0.000 2.876 136 W HN 0.002 nan 8.180 nan 0.000 1.563 137 G N 0.730 109.564 108.800 0.056 0.000 2.613 137 G HA2 0.219 4.179 3.960 -0.000 0.000 0.303 137 G HA3 0.219 4.179 3.960 -0.000 0.000 0.303 137 G C 0.471 175.348 174.900 -0.038 0.000 1.312 137 G CA -0.124 45.025 45.100 0.083 0.000 1.036 137 G HN 0.195 nan 8.290 nan 0.000 0.513 138 Q N -1.100 118.735 119.800 0.059 0.000 2.061 138 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 138 Q C 2.491 178.676 176.000 0.308 0.000 0.984 138 Q CA 1.365 57.278 55.803 0.183 0.000 0.846 138 Q CB -0.274 28.574 28.738 0.182 0.000 0.902 138 Q HN 0.497 nan 8.270 nan 0.000 0.421 139 M N 0.092 119.820 119.600 0.213 0.000 2.200 139 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 139 M C 2.036 178.456 176.300 0.200 0.000 1.066 139 M CA 1.224 56.686 55.300 0.270 0.000 1.127 139 M CB -0.306 32.491 32.600 0.329 0.000 1.379 139 M HN -0.011 nan 8.290 nan 0.000 0.420 140 S N -0.047 115.624 115.700 -0.049 0.000 2.359 140 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 140 S C 1.763 176.256 174.600 -0.179 0.000 1.035 140 S CA 1.698 59.788 58.200 -0.184 0.000 1.018 140 S CB -0.810 62.236 63.200 -0.257 0.000 0.876 140 S HN 0.595 nan 8.310 nan 0.000 0.448 141 F N 0.787 120.444 119.950 -0.489 0.000 2.084 141 F HA -0.061 4.466 4.527 -0.000 0.000 0.296 141 F C 1.801 177.236 175.800 -0.609 0.000 1.111 141 F CA 1.222 58.739 58.000 -0.805 0.000 1.224 141 F CB -0.448 37.877 39.000 -1.125 0.000 0.991 141 F HN 0.198 nan 8.300 nan 0.000 0.471 142 W N 0.334 121.566 121.300 -0.113 0.000 2.467 142 W HA 0.095 4.755 4.660 -0.000 0.000 0.275 142 W C 2.612 179.072 176.519 -0.098 0.000 1.239 142 W CA 1.098 58.377 57.345 -0.110 0.000 1.266 142 W CB -1.150 28.336 29.460 0.044 0.000 1.112 142 W HN 0.116 nan 8.180 nan 0.000 0.576 143 G N 0.468 109.344 108.800 0.127 0.000 2.414 143 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 143 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 143 G C 1.715 176.679 174.900 0.107 0.000 1.188 143 G CA 1.510 46.689 45.100 0.131 0.000 0.783 143 G HN 0.267 nan 8.290 nan 0.000 0.537 144 A N 0.310 123.111 122.820 -0.031 0.000 1.892 144 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 144 A C 2.535 180.106 177.584 -0.021 0.000 1.188 144 A CA 2.681 54.703 52.037 -0.024 0.000 0.631 144 A CB -1.120 17.741 19.000 -0.231 0.000 0.822 144 A HN 0.329 nan 8.150 nan 0.000 0.447 145 T N -0.281 114.093 114.554 -0.301 0.000 2.643 145 T HA -0.137 4.213 4.350 -0.000 0.000 0.264 145 T C 1.923 176.636 174.700 0.023 0.000 1.045 145 T CA 1.735 63.680 62.100 -0.258 0.000 1.155 145 T CB -0.683 67.871 68.868 -0.523 0.000 0.863 145 T HN 0.166 nan 8.240 nan 0.000 0.420 146 V N 2.076 122.034 119.914 0.073 0.000 2.231 146 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 146 V C 2.550 178.666 176.094 0.037 0.000 1.058 146 V CA 1.581 63.943 62.300 0.103 0.000 1.022 146 V CB -0.726 31.171 31.823 0.123 0.000 0.640 146 V HN 0.398 nan 8.190 nan 0.000 0.445 147 I N 1.157 121.735 120.570 0.014 0.000 2.113 147 I HA -0.223 3.947 4.170 -0.000 0.000 0.238 147 I C 2.909 178.853 176.117 -0.289 0.000 1.070 147 I CA 2.549 63.776 61.300 -0.122 0.000 1.332 147 I CB -2.048 35.863 38.000 -0.149 0.000 1.044 147 I HN 0.589 nan 8.210 nan 0.000 0.402 148 T N -0.792 113.685 114.554 -0.129 0.000 2.778 148 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 148 T C 1.704 176.136 174.700 -0.448 0.000 1.050 148 T CA 1.471 63.342 62.100 -0.382 0.000 1.137 148 T CB -0.632 68.336 68.868 0.167 0.000 0.860 148 T HN 0.197 nan 8.240 nan 0.000 0.468 149 N N 0.928 119.585 118.700 -0.072 0.000 2.520 149 N HA 0.072 4.812 4.740 -0.000 0.000 0.185 149 N C 1.665 177.115 175.510 -0.101 0.000 1.068 149 N CA 0.473 53.539 53.050 0.026 0.000 0.911 149 N CB -0.326 38.260 38.487 0.165 0.000 0.961 149 N HN 0.511 nan 8.380 nan 0.000 0.446 150 L N -0.800 120.284 121.223 -0.232 0.000 2.109 150 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 150 L C 1.849 178.713 176.870 -0.009 0.000 1.086 150 L CA 0.710 55.476 54.840 -0.124 0.000 0.760 150 L CB -0.547 41.441 42.059 -0.119 0.000 0.910 150 L HN 0.130 nan 8.230 nan 0.000 0.437 151 F N 0.611 120.529 119.950 -0.053 0.000 2.154 151 F HA -0.266 4.261 4.527 -0.000 0.000 0.301 151 F C 2.812 178.557 175.800 -0.092 0.000 1.087 151 F CA 0.861 58.819 58.000 -0.069 0.000 1.274 151 F CB -0.588 38.364 39.000 -0.080 0.000 1.009 151 F HN 0.229 nan 8.300 nan 0.000 0.485 152 S N 0.432 116.147 115.700 0.025 0.000 2.528 152 S HA -0.107 4.363 4.470 -0.000 0.000 0.244 152 S C 1.625 176.160 174.600 -0.108 0.000 0.982 152 S CA 0.648 58.777 58.200 -0.118 0.000 0.953 152 S CB -0.536 62.516 63.200 -0.246 0.000 0.754 152 S HN 0.331 nan 8.310 nan 0.000 0.529 153 A N 0.689 123.496 122.820 -0.022 0.000 2.275 153 A HA 0.461 4.781 4.320 -0.000 0.000 0.212 153 A C 0.737 178.318 177.584 -0.004 0.000 1.201 153 A CA -0.267 51.760 52.037 -0.016 0.000 0.843 153 A CB -0.295 18.707 19.000 0.003 0.000 0.873 153 A HN 0.589 nan 8.150 nan 0.000 0.492 154 I N 1.967 122.545 120.570 0.013 0.000 2.308 154 I HA 0.177 4.347 4.170 -0.000 0.000 0.293 154 I C -2.334 173.777 176.117 -0.010 0.000 1.078 154 I CA -2.082 59.218 61.300 0.000 0.000 1.292 154 I CB 0.973 38.979 38.000 0.011 0.000 1.423 154 I HN 0.016 nan 8.210 nan 0.000 0.493 155 P HA -0.086 nan 4.420 nan 0.000 0.266 155 P C 0.077 177.401 177.300 0.039 0.000 1.180 155 P CA 0.677 63.728 63.100 -0.082 0.000 0.765 155 P CB 0.283 31.826 31.700 -0.263 0.000 0.806 156 Y N -0.601 119.708 120.300 0.015 0.000 2.801 156 Y HA -0.357 4.193 4.550 -0.000 0.000 0.472 156 Y C 1.630 177.542 175.900 0.020 0.000 1.151 156 Y CA 0.744 58.853 58.100 0.016 0.000 2.731 156 Y CB -1.659 36.802 38.460 0.002 0.000 1.146 156 Y HN 0.357 nan 8.280 nan 0.000 0.611 157 I N 1.004 121.697 120.570 0.206 0.000 3.609 157 I HA 0.253 4.423 4.170 -0.000 0.000 0.305 157 I C 1.417 177.577 176.117 0.071 0.000 1.239 157 I CA 0.884 62.240 61.300 0.092 0.000 1.191 157 I CB -0.616 37.408 38.000 0.040 0.000 1.020 157 I HN 0.396 nan 8.210 nan 0.000 0.471 158 G N 1.073 109.925 108.800 0.085 0.000 2.605 158 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 158 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 158 G C 1.353 176.280 174.900 0.045 0.000 1.279 158 G CA 0.413 45.536 45.100 0.038 0.000 0.831 158 G HN 0.479 nan 8.290 nan 0.000 0.560 159 H N 0.679 119.795 119.070 0.077 0.000 2.466 159 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 159 H C 2.800 178.173 175.328 0.076 0.000 1.113 159 H CA 1.729 57.824 56.048 0.078 0.000 1.273 159 H CB -0.355 29.467 29.762 0.100 0.000 1.371 159 H HN 0.258 nan 8.280 nan 0.000 0.528 160 T N 1.434 116.101 114.554 0.189 0.000 2.590 160 T HA -0.140 4.210 4.350 -0.000 0.000 0.257 160 T C 2.194 176.968 174.700 0.123 0.000 1.080 160 T CA 1.069 63.249 62.100 0.133 0.000 1.180 160 T CB -0.702 68.209 68.868 0.072 0.000 0.865 160 T HN 0.189 nan 8.240 nan 0.000 0.403 161 L N 1.496 122.766 121.223 0.078 0.000 2.270 161 L HA -0.106 4.234 4.340 -0.000 0.000 0.217 161 L C 2.112 179.095 176.870 0.188 0.000 1.107 161 L CA 1.405 56.312 54.840 0.112 0.000 0.772 161 L CB -0.601 41.471 42.059 0.020 0.000 0.902 161 L HN 0.111 nan 8.230 nan 0.000 0.439 162 V N -0.639 119.308 119.914 0.055 0.000 2.331 162 V HA -0.136 3.984 4.120 -0.000 0.000 0.242 162 V C 2.131 178.013 176.094 -0.353 0.000 1.034 162 V CA 1.596 63.738 62.300 -0.262 0.000 1.027 162 V CB -0.559 30.960 31.823 -0.506 0.000 0.667 162 V HN 0.426 nan 8.190 nan 0.000 0.457 163 E N -1.189 118.995 120.200 -0.026 0.000 2.533 163 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 163 E C 1.584 178.325 176.600 0.235 0.000 1.097 163 E CA 0.660 57.187 56.400 0.212 0.000 0.887 163 E CB -0.061 29.849 29.700 0.350 0.000 0.855 163 E HN 0.779 nan 8.360 nan 0.000 0.540 164 W N 0.444 121.750 121.300 0.010 0.000 2.728 164 W HA 0.249 4.909 4.660 -0.000 0.000 0.270 164 W C 2.231 178.787 176.519 0.061 0.000 1.150 164 W CA 0.893 58.260 57.345 0.036 0.000 1.518 164 W CB -0.376 29.099 29.460 0.026 0.000 1.069 164 W HN -0.033 nan 8.180 nan 0.000 0.590 165 A N -0.029 122.818 122.820 0.044 0.000 1.902 165 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 165 A C 1.725 179.347 177.584 0.062 0.000 1.181 165 A CA 1.626 53.647 52.037 -0.027 0.000 0.623 165 A CB -1.456 17.630 19.000 0.144 0.000 0.818 165 A HN 0.473 nan 8.150 nan 0.000 0.443 166 W N -1.185 120.128 121.300 0.021 0.000 2.467 166 W HA 0.221 4.881 4.660 -0.000 0.000 0.275 166 W C 1.793 178.239 176.519 -0.121 0.000 1.239 166 W CA 0.934 58.243 57.345 -0.060 0.000 1.266 166 W CB -1.162 28.283 29.460 -0.025 0.000 1.112 166 W HN 0.647 nan 8.180 nan 0.000 0.576 167 G N 0.092 108.950 108.800 0.096 0.000 2.143 167 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.248 167 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.248 167 G C 0.470 175.329 174.900 -0.067 0.000 0.991 167 G CA 0.566 45.642 45.100 -0.040 0.000 0.689 167 G HN 0.676 nan 8.290 nan 0.000 0.522 168 G N -1.774 107.017 108.800 -0.016 0.000 2.562 168 G HA2 0.570 4.530 3.960 -0.000 0.000 0.190 168 G HA3 0.570 4.530 3.960 -0.000 0.000 0.190 168 G C 0.188 174.981 174.900 -0.179 0.000 1.196 168 G CA 0.193 45.111 45.100 -0.302 0.000 0.986 168 G HN 0.366 nan 8.290 nan 0.000 0.512 169 F N 1.202 121.271 119.950 0.199 0.000 2.727 169 F HA 0.424 4.951 4.527 -0.000 0.000 0.302 169 F C 1.321 177.096 175.800 -0.042 0.000 1.107 169 F CA 0.429 58.563 58.000 0.223 0.000 1.277 169 F CB 1.170 40.238 39.000 0.113 0.000 1.079 169 F HN 0.495 nan 8.300 nan 0.000 0.594 170 S N -0.998 114.558 115.700 -0.240 0.000 2.638 170 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 170 S C -0.899 173.146 174.600 -0.925 0.000 1.157 170 S CA -0.898 56.780 58.200 -0.871 0.000 0.826 170 S CB 1.526 64.508 63.200 -0.363 0.000 1.139 170 S HN -0.226 nan 8.310 nan 0.000 0.474 171 V N 2.603 121.852 119.914 -1.108 0.000 2.409 171 V HA 0.285 4.405 4.120 -0.000 0.000 0.270 171 V C 0.119 176.167 176.094 -0.078 0.000 1.019 171 V CA 0.812 62.711 62.300 -0.668 0.000 1.066 171 V CB -0.376 30.962 31.823 -0.807 0.000 1.021 171 V HN 0.873 nan 8.190 nan 0.000 0.476 172 D N 3.212 123.595 120.400 -0.029 0.000 2.781 172 D HA 0.199 4.839 4.640 -0.000 0.000 0.295 172 D C 1.050 177.299 176.300 -0.084 0.000 1.143 172 D CA -0.745 53.297 54.000 0.071 0.000 1.076 172 D CB 1.535 42.328 40.800 -0.012 0.000 1.444 172 D HN 0.255 nan 8.370 nan 0.000 0.567 173 N N 0.377 118.974 118.700 -0.171 0.000 2.069 173 N HA -0.130 4.610 4.740 -0.000 0.000 0.196 173 N C -1.224 174.157 175.510 -0.214 0.000 1.024 173 N CA 2.575 55.453 53.050 -0.287 0.000 0.869 173 N CB -0.626 37.727 38.487 -0.223 0.000 1.035 173 N HN 0.277 nan 8.380 nan 0.000 0.434 174 P HA -0.166 nan 4.420 nan 0.000 0.217 174 P C 0.867 178.105 177.300 -0.103 0.000 1.151 174 P CA 1.787 64.824 63.100 -0.105 0.000 0.849 174 P CB -0.261 31.386 31.700 -0.088 0.000 0.787 175 T N 0.433 114.903 114.554 -0.141 0.000 2.770 175 T HA -0.103 4.247 4.350 -0.000 0.000 0.263 175 T C 1.892 176.411 174.700 -0.302 0.000 1.039 175 T CA 0.821 62.779 62.100 -0.237 0.000 1.142 175 T CB -1.071 67.611 68.868 -0.310 0.000 0.868 175 T HN -0.010 nan 8.240 nan 0.000 0.435 176 L N 2.381 123.427 121.223 -0.295 0.000 1.971 176 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 176 L C 2.703 179.577 176.870 0.007 0.000 1.072 176 L CA 2.667 57.366 54.840 -0.234 0.000 0.758 176 L CB -1.600 40.106 42.059 -0.587 0.000 0.889 176 L HN 0.507 nan 8.230 nan 0.000 0.433 177 T N -1.404 113.131 114.554 -0.032 0.000 2.720 177 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 177 T C 1.874 176.690 174.700 0.192 0.000 1.037 177 T CA 1.524 63.678 62.100 0.090 0.000 1.144 177 T CB -0.776 68.099 68.868 0.012 0.000 0.864 177 T HN 0.654 nan 8.240 nan 0.000 0.444 178 R N -0.284 120.309 120.500 0.155 0.000 2.148 178 R HA 0.079 4.419 4.340 -0.000 0.000 0.223 178 R C 1.926 178.449 176.300 0.371 0.000 1.088 178 R CA 0.809 57.031 56.100 0.203 0.000 0.985 178 R CB -0.734 29.649 30.300 0.139 0.000 0.880 178 R HN 0.295 nan 8.270 nan 0.000 0.451 179 F N 1.171 121.198 119.950 0.127 0.000 2.146 179 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 179 F C 2.146 178.088 175.800 0.238 0.000 1.096 179 F CA 0.216 58.309 58.000 0.154 0.000 1.275 179 F CB -0.894 38.179 39.000 0.123 0.000 1.008 179 F HN -0.075 nan 8.300 nan 0.000 0.480 180 F N 0.514 120.662 119.950 0.331 0.000 2.069 180 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 180 F C 2.394 178.388 175.800 0.323 0.000 1.113 180 F CA 1.717 59.906 58.000 0.316 0.000 1.214 180 F CB -0.392 38.808 39.000 0.333 0.000 0.978 180 F HN -0.065 nan 8.300 nan 0.000 0.474 181 A N 0.968 123.848 122.820 0.101 0.000 1.865 181 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 181 A C 2.270 179.867 177.584 0.022 0.000 1.191 181 A CA 1.916 53.931 52.037 -0.037 0.000 0.623 181 A CB -1.319 17.698 19.000 0.028 0.000 0.826 181 A HN 0.545 nan 8.150 nan 0.000 0.444 182 L N -1.632 119.645 121.223 0.089 0.000 2.042 182 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 182 L C 2.690 179.616 176.870 0.093 0.000 1.076 182 L CA 2.140 57.023 54.840 0.071 0.000 0.749 182 L CB -0.596 41.480 42.059 0.028 0.000 0.893 182 L HN 0.675 nan 8.230 nan 0.000 0.432 183 H N -0.999 118.084 119.070 0.021 0.000 2.423 183 H HA -0.208 4.348 4.556 -0.000 0.000 0.297 183 H C 1.918 177.261 175.328 0.025 0.000 1.075 183 H CA 1.451 57.511 56.048 0.020 0.000 1.342 183 H CB -0.100 29.699 29.762 0.062 0.000 1.395 183 H HN 0.280 nan 8.280 nan 0.000 0.530 184 F N -0.856 118.973 119.950 -0.203 0.000 2.259 184 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 184 F C 1.967 177.790 175.800 0.039 0.000 1.088 184 F CA 0.404 58.285 58.000 -0.198 0.000 1.358 184 F CB 0.121 38.891 39.000 -0.384 0.000 1.040 184 F HN 0.268 nan 8.300 nan 0.000 0.505 185 L N 0.469 121.876 121.223 0.305 0.000 2.022 185 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 185 L C 2.075 179.100 176.870 0.259 0.000 1.076 185 L CA 1.611 56.621 54.840 0.283 0.000 0.749 185 L CB -1.083 41.039 42.059 0.105 0.000 0.903 185 L HN 0.111 nan 8.230 nan 0.000 0.439 186 L N -0.089 121.190 121.223 0.093 0.000 2.085 186 L HA -0.275 4.065 4.340 -0.000 0.000 0.218 186 L C -0.063 176.783 176.870 -0.039 0.000 1.080 186 L CA 1.947 56.800 54.840 0.021 0.000 0.776 186 L CB -2.394 39.653 42.059 -0.020 0.000 0.891 186 L HN 0.288 nan 8.230 nan 0.000 0.437 187 P HA -0.186 nan 4.420 nan 0.000 0.216 187 P C 1.526 178.651 177.300 -0.291 0.000 1.150 187 P CA 1.578 64.496 63.100 -0.302 0.000 0.843 187 P CB -0.044 31.361 31.700 -0.491 0.000 0.787 188 F N -0.330 119.605 119.950 -0.026 0.000 2.146 188 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 188 F C 2.467 178.260 175.800 -0.011 0.000 1.096 188 F CA 1.117 59.114 58.000 -0.004 0.000 1.275 188 F CB -1.516 37.495 39.000 0.018 0.000 1.008 188 F HN -0.130 nan 8.300 nan 0.000 0.480 189 A N 0.681 123.595 122.820 0.157 0.000 1.917 189 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 189 A C 2.267 179.869 177.584 0.029 0.000 1.182 189 A CA 1.818 53.903 52.037 0.080 0.000 0.633 189 A CB -1.152 17.881 19.000 0.055 0.000 0.819 189 A HN 0.399 nan 8.150 nan 0.000 0.448 190 I N -0.454 120.105 120.570 -0.018 0.000 2.099 190 I HA -0.325 3.845 4.170 -0.000 0.000 0.239 190 I C 3.046 179.145 176.117 -0.031 0.000 1.066 190 I CA 1.199 62.468 61.300 -0.053 0.000 1.324 190 I CB -0.431 37.504 38.000 -0.109 0.000 1.037 190 I HN 0.386 nan 8.210 nan 0.000 0.401 191 A N 0.895 123.696 122.820 -0.032 0.000 1.892 191 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 191 A C 2.386 179.980 177.584 0.018 0.000 1.188 191 A CA 2.191 54.220 52.037 -0.013 0.000 0.631 191 A CB -1.612 17.380 19.000 -0.014 0.000 0.822 191 A HN 0.503 nan 8.150 nan 0.000 0.447 192 G N 0.164 108.989 108.800 0.043 0.000 2.587 192 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 192 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 192 G C 1.506 176.429 174.900 0.038 0.000 1.240 192 G CA 1.265 46.394 45.100 0.047 0.000 0.794 192 G HN 0.489 nan 8.290 nan 0.000 0.580 193 I N 0.853 121.445 120.570 0.037 0.000 2.248 193 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 193 I C 2.927 179.080 176.117 0.059 0.000 1.107 193 I CA 1.585 62.915 61.300 0.051 0.000 1.373 193 I CB -0.703 37.316 38.000 0.032 0.000 1.055 193 I HN 0.142 nan 8.210 nan 0.000 0.418 194 T N 1.354 115.921 114.554 0.022 0.000 2.803 194 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 194 T C 1.914 176.654 174.700 0.067 0.000 1.052 194 T CA 1.079 63.197 62.100 0.030 0.000 1.136 194 T CB -0.082 68.781 68.868 -0.009 0.000 0.864 194 T HN 0.171 nan 8.240 nan 0.000 0.467 195 I N 1.246 121.836 120.570 0.033 0.000 2.142 195 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 195 I C 2.355 178.469 176.117 -0.005 0.000 1.078 195 I CA 1.103 62.403 61.300 -0.000 0.000 1.343 195 I CB -1.184 36.810 38.000 -0.010 0.000 1.046 195 I HN 0.219 nan 8.210 nan 0.000 0.405 196 I N 0.538 121.129 120.570 0.035 0.000 2.151 196 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 196 I C 2.654 178.886 176.117 0.193 0.000 1.080 196 I CA 1.769 63.099 61.300 0.049 0.000 1.339 196 I CB -1.825 36.267 38.000 0.153 0.000 1.039 196 I HN 0.327 nan 8.210 nan 0.000 0.409 197 H N 1.549 120.699 119.070 0.134 0.000 2.265 197 H HA -0.156 4.400 4.556 -0.000 0.000 0.295 197 H C 2.252 177.629 175.328 0.081 0.000 1.084 197 H CA 1.943 58.086 56.048 0.157 0.000 1.261 197 H CB -0.382 29.426 29.762 0.077 0.000 1.360 197 H HN 0.199 nan 8.280 nan 0.000 0.487 198 L N -0.569 120.655 121.223 0.001 0.000 2.187 198 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 198 L C 2.432 179.025 176.870 -0.461 0.000 1.100 198 L CA 1.576 56.264 54.840 -0.252 0.000 0.765 198 L CB -0.578 41.329 42.059 -0.254 0.000 0.904 198 L HN 0.414 nan 8.230 nan 0.000 0.437 199 T N -0.315 114.064 114.554 -0.291 0.000 2.701 199 T HA -0.136 4.214 4.350 -0.000 0.000 0.263 199 T C 1.622 176.192 174.700 -0.218 0.000 1.040 199 T CA 1.328 63.241 62.100 -0.312 0.000 1.147 199 T CB -0.273 68.406 68.868 -0.316 0.000 0.865 199 T HN 0.080 nan 8.240 nan 0.000 0.426 200 F N 1.047 120.925 119.950 -0.120 0.000 2.126 200 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 200 F C 2.120 177.828 175.800 -0.153 0.000 1.096 200 F CA 0.590 58.531 58.000 -0.098 0.000 1.255 200 F CB -0.955 38.010 39.000 -0.057 0.000 0.997 200 F HN 0.062 nan 8.300 nan 0.000 0.479 201 L N 0.272 121.491 121.223 -0.007 0.000 1.951 201 L HA -0.310 4.030 4.340 -0.000 0.000 0.222 201 L C 2.353 179.213 176.870 -0.016 0.000 1.078 201 L CA 2.182 56.969 54.840 -0.088 0.000 0.778 201 L CB -1.306 40.700 42.059 -0.089 0.000 0.893 201 L HN 0.269 nan 8.230 nan 0.000 0.436 202 H N -1.069 117.950 119.070 -0.085 0.000 2.520 202 H HA -0.170 4.386 4.556 -0.000 0.000 0.295 202 H C 1.917 177.193 175.328 -0.085 0.000 1.096 202 H CA 0.652 56.654 56.048 -0.078 0.000 1.249 202 H CB 0.131 29.853 29.762 -0.066 0.000 1.365 202 H HN 0.513 nan 8.280 nan 0.000 0.556 203 E N 0.403 120.621 120.200 0.030 0.000 2.031 203 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 203 E C 2.546 179.111 176.600 -0.058 0.000 0.994 203 E CA 1.570 57.963 56.400 -0.011 0.000 0.800 203 E CB -0.146 29.556 29.700 0.004 0.000 0.752 203 E HN 0.554 nan 8.360 nan 0.000 0.447 204 S N -0.802 114.799 115.700 -0.165 0.000 2.441 204 S HA 0.275 4.745 4.470 -0.000 0.000 0.224 204 S C 1.131 175.641 174.600 -0.150 0.000 1.043 204 S CA 0.596 58.655 58.200 -0.234 0.000 0.948 204 S CB 0.385 63.197 63.200 -0.645 0.000 0.810 204 S HN 0.417 nan 8.310 nan 0.000 0.504 205 G N 0.547 109.260 108.800 -0.144 0.000 2.663 205 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.686 205 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.686 205 G C -0.598 174.341 174.900 0.066 0.000 1.288 205 G CA -0.530 44.558 45.100 -0.019 0.000 0.836 205 G HN 0.615 nan 8.290 nan 0.000 0.584 206 S N 0.115 115.899 115.700 0.139 0.000 2.562 206 S HA 0.290 4.760 4.470 -0.000 0.000 0.281 206 S C 1.003 175.781 174.600 0.297 0.000 1.333 206 S CA 0.072 58.436 58.200 0.273 0.000 1.052 206 S CB 0.846 64.151 63.200 0.175 0.000 0.884 206 S HN 0.795 nan 8.310 nan 0.000 0.506 207 N N 1.432 120.399 118.700 0.445 0.000 2.347 207 N HA 0.200 4.940 4.740 -0.000 0.000 0.253 207 N C -0.451 175.106 175.510 0.078 0.000 1.274 207 N CA -0.439 52.744 53.050 0.223 0.000 0.941 207 N CB 0.399 38.925 38.487 0.065 0.000 1.200 207 N HN 0.806 nan 8.380 nan 0.000 0.514 208 N N -0.843 117.808 118.700 -0.081 0.000 2.416 208 N HA 0.383 5.123 4.740 -0.000 0.000 0.276 208 N C -2.447 172.909 175.510 -0.256 0.000 1.261 208 N CA -1.276 51.506 53.050 -0.447 0.000 0.790 208 N CB 2.111 40.380 38.487 -0.364 0.000 1.554 208 N HN 0.206 nan 8.380 nan 0.000 0.481 209 P HA -0.260 nan 4.420 nan 0.000 0.219 209 P C 0.939 178.321 177.300 0.137 0.000 1.153 209 P CA 1.498 64.637 63.100 0.065 0.000 0.865 209 P CB 0.271 31.977 31.700 0.010 0.000 0.788 210 L N -2.466 118.737 121.223 -0.032 0.000 2.270 210 L HA 0.141 4.481 4.340 -0.000 0.000 0.210 210 L C 1.630 178.438 176.870 -0.103 0.000 1.104 210 L CA 0.998 55.772 54.840 -0.109 0.000 0.804 210 L CB -1.087 40.966 42.059 -0.010 0.000 0.937 210 L HN 0.133 nan 8.230 nan 0.000 0.450 211 G N 1.783 110.553 108.800 -0.051 0.000 2.204 211 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 211 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 211 G C -0.017 174.866 174.900 -0.028 0.000 1.062 211 G CA 0.400 45.466 45.100 -0.057 0.000 0.798 211 G HN 0.451 nan 8.290 nan 0.000 0.496 212 I N -3.366 117.199 120.570 -0.008 0.000 2.802 212 I HA 0.771 4.941 4.170 -0.000 0.000 0.298 212 I C 0.471 176.592 176.117 0.007 0.000 1.176 212 I CA -1.030 60.277 61.300 0.013 0.000 1.025 212 I CB 1.904 39.932 38.000 0.047 0.000 1.243 212 I HN 0.189 nan 8.210 nan 0.000 0.424 213 S N 2.658 118.365 115.700 0.013 0.000 3.074 213 S HA -0.047 4.423 4.470 -0.000 0.000 0.359 213 S C 1.033 175.638 174.600 0.008 0.000 1.207 213 S CA 0.462 58.671 58.200 0.014 0.000 1.061 213 S CB -0.148 63.062 63.200 0.017 0.000 0.769 213 S HN 0.834 nan 8.310 nan 0.000 0.512 214 S N 3.072 118.774 115.700 0.003 0.000 2.622 214 S HA 0.178 4.648 4.470 -0.000 0.000 0.236 214 S C 0.489 175.090 174.600 0.002 0.000 0.956 214 S CA -0.500 57.695 58.200 -0.008 0.000 0.971 214 S CB 0.250 63.431 63.200 -0.031 0.000 0.782 214 S HN 0.716 nan 8.310 nan 0.000 0.468 215 D N 2.480 122.886 120.400 0.010 0.000 2.277 215 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 215 D C 1.646 177.953 176.300 0.012 0.000 0.962 215 D CA 0.837 54.845 54.000 0.013 0.000 0.865 215 D CB -0.255 40.554 40.800 0.015 0.000 0.939 215 D HN 0.488 nan 8.370 nan 0.000 0.510 216 S N -0.089 115.616 115.700 0.009 0.000 2.474 216 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 216 S C 0.592 175.195 174.600 0.004 0.000 0.997 216 S CA 0.591 58.795 58.200 0.007 0.000 0.949 216 S CB 0.251 63.455 63.200 0.007 0.000 0.766 216 S HN 0.114 nan 8.310 nan 0.000 0.517 217 D N 0.693 121.095 120.400 0.003 0.000 2.584 217 D HA 0.276 4.916 4.640 -0.000 0.000 0.238 217 D C -1.099 175.205 176.300 0.007 0.000 1.302 217 D CA -0.213 53.787 54.000 -0.000 0.000 0.884 217 D CB 0.327 41.119 40.800 -0.014 0.000 1.456 217 D HN 0.025 nan 8.370 nan 0.000 0.528 218 K N 1.715 122.130 120.400 0.026 0.000 2.156 218 K HA 0.717 5.037 4.320 -0.000 0.000 0.250 218 K C 0.143 176.796 176.600 0.088 0.000 0.955 218 K CA -0.988 55.330 56.287 0.051 0.000 0.855 218 K CB 2.208 34.738 32.500 0.049 0.000 1.101 218 K HN 0.398 nan 8.250 nan 0.000 0.434 219 I N -1.262 119.399 120.570 0.151 0.000 2.785 219 I HA 0.500 4.670 4.170 -0.000 0.000 0.302 219 I C -2.631 173.659 176.117 0.288 0.000 1.069 219 I CA -3.034 58.414 61.300 0.247 0.000 1.045 219 I CB 2.157 40.348 38.000 0.319 0.000 1.236 219 I HN 0.354 nan 8.210 nan 0.000 0.429 220 P HA 0.009 nan 4.420 nan 0.000 0.271 220 P C 0.522 177.995 177.300 0.288 0.000 1.220 220 P CA 0.057 63.279 63.100 0.203 0.000 0.768 220 P CB 0.827 32.585 31.700 0.097 0.000 0.848 221 F N 3.859 123.942 119.950 0.221 0.000 2.085 221 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 221 F C 1.196 177.151 175.800 0.259 0.000 1.096 221 F CA 1.732 59.924 58.000 0.320 0.000 1.227 221 F CB -0.562 38.564 39.000 0.210 0.000 0.983 221 F HN 0.441 nan 8.300 nan 0.000 0.482 222 H N 1.103 120.314 119.070 0.235 0.000 2.473 222 H HA 0.265 4.821 4.556 -0.000 0.000 0.327 222 H C -1.801 173.432 175.328 -0.159 0.000 1.105 222 H CA -2.271 53.814 56.048 0.061 0.000 1.280 222 H CB 1.471 31.341 29.762 0.181 0.000 1.450 222 H HN -0.115 nan 8.280 nan 0.000 0.492 223 P HA -0.071 nan 4.420 nan 0.000 0.239 223 P C 0.716 177.743 177.300 -0.456 0.000 1.188 223 P CA 0.666 63.210 63.100 -0.927 0.000 0.794 223 P CB 0.349 31.447 31.700 -1.003 0.000 0.937 224 Y N 0.276 120.318 120.300 -0.431 0.000 1.977 224 Y HA -0.272 4.278 4.550 -0.000 0.000 0.264 224 Y C 2.393 177.856 175.900 -0.727 0.000 1.167 224 Y CA 1.525 59.255 58.100 -0.616 0.000 1.102 224 Y CB -1.434 36.562 38.460 -0.773 0.000 0.948 224 Y HN -0.082 nan 8.280 nan 0.000 0.489 225 Y N -0.799 119.324 120.300 -0.295 0.000 2.544 225 Y HA -0.099 4.451 4.550 -0.000 0.000 0.286 225 Y C 2.373 177.888 175.900 -0.641 0.000 1.141 225 Y CA 0.407 58.190 58.100 -0.527 0.000 1.299 225 Y CB -0.120 37.911 38.460 -0.715 0.000 1.030 225 Y HN 0.076 nan 8.280 nan 0.000 0.543 226 S N 0.338 115.747 115.700 -0.485 0.000 2.335 226 S HA -0.170 4.300 4.470 -0.000 0.000 0.216 226 S C 1.710 176.272 174.600 -0.063 0.000 1.032 226 S CA 1.328 59.462 58.200 -0.110 0.000 1.000 226 S CB -0.931 62.380 63.200 0.186 0.000 0.928 226 S HN 0.352 nan 8.310 nan 0.000 0.434 227 F N 2.025 121.884 119.950 -0.152 0.000 2.069 227 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 227 F C 2.608 178.355 175.800 -0.089 0.000 1.113 227 F CA 1.477 59.413 58.000 -0.106 0.000 1.214 227 F CB -0.311 38.605 39.000 -0.141 0.000 0.978 227 F HN 0.105 nan 8.300 nan 0.000 0.474 228 K N 0.293 120.735 120.400 0.070 0.000 2.113 228 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 228 K C 1.501 178.124 176.600 0.038 0.000 1.047 228 K CA 2.102 58.404 56.287 0.025 0.000 0.928 228 K CB -0.236 32.259 32.500 -0.008 0.000 0.716 228 K HN 0.177 nan 8.250 nan 0.000 0.446 229 D N 0.474 120.902 120.400 0.047 0.000 2.123 229 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 229 D C 1.855 178.175 176.300 0.034 0.000 0.976 229 D CA 0.932 54.968 54.000 0.061 0.000 0.831 229 D CB -0.083 40.795 40.800 0.130 0.000 0.974 229 D HN 0.244 nan 8.370 nan 0.000 0.469 230 I N 0.378 120.951 120.570 0.005 0.000 2.335 230 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 230 I C 2.221 178.338 176.117 -0.000 0.000 1.129 230 I CA 0.451 61.740 61.300 -0.019 0.000 1.402 230 I CB -0.084 37.855 38.000 -0.101 0.000 1.069 230 I HN 0.031 nan 8.210 nan 0.000 0.424 231 L N 1.097 122.325 121.223 0.009 0.000 2.005 231 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 231 L C 2.430 179.312 176.870 0.020 0.000 1.072 231 L CA 2.212 57.063 54.840 0.019 0.000 0.744 231 L CB -1.212 40.861 42.059 0.024 0.000 0.895 231 L HN 0.166 nan 8.230 nan 0.000 0.433 232 G N -0.351 108.452 108.800 0.005 0.000 2.475 232 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 232 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 232 G C 1.580 176.511 174.900 0.052 0.000 1.125 232 G CA 1.126 46.218 45.100 -0.013 0.000 0.755 232 G HN 0.422 nan 8.290 nan 0.000 0.565 233 L N 1.379 122.642 121.223 0.067 0.000 1.961 233 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 233 L C 3.307 180.248 176.870 0.118 0.000 1.072 233 L CA 3.009 57.918 54.840 0.116 0.000 0.749 233 L CB -1.127 40.976 42.059 0.073 0.000 0.889 233 L HN 0.348 nan 8.230 nan 0.000 0.432 234 T N -2.152 112.443 114.554 0.067 0.000 2.720 234 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 234 T C 2.035 176.784 174.700 0.081 0.000 1.037 234 T CA 1.843 63.977 62.100 0.056 0.000 1.144 234 T CB -0.996 67.891 68.868 0.032 0.000 0.864 234 T HN 0.380 nan 8.240 nan 0.000 0.444 235 L N -0.377 120.896 121.223 0.083 0.000 1.989 235 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 235 L C 3.166 180.128 176.870 0.154 0.000 1.071 235 L CA 1.474 56.370 54.840 0.093 0.000 0.749 235 L CB -0.656 41.442 42.059 0.064 0.000 0.890 235 L HN 0.252 nan 8.230 nan 0.000 0.431 236 M N -0.849 118.886 119.600 0.225 0.000 2.098 236 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 236 M C 2.390 178.926 176.300 0.393 0.000 1.072 236 M CA 1.475 57.008 55.300 0.389 0.000 1.133 236 M CB -1.152 31.792 32.600 0.573 0.000 1.344 236 M HN 0.187 nan 8.290 nan 0.000 0.414 237 L N 0.620 121.990 121.223 0.246 0.000 2.137 237 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 237 L C 2.277 179.195 176.870 0.080 0.000 1.085 237 L CA 1.802 56.683 54.840 0.068 0.000 0.760 237 L CB -0.947 41.112 42.059 0.001 0.000 0.893 237 L HN 0.325 nan 8.230 nan 0.000 0.434 238 T N -0.084 114.534 114.554 0.108 0.000 2.622 238 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 238 T C -0.310 174.471 174.700 0.134 0.000 1.047 238 T CA 2.070 64.225 62.100 0.092 0.000 1.159 238 T CB -0.975 67.949 68.868 0.093 0.000 0.863 238 T HN 0.287 nan 8.240 nan 0.000 0.422 239 P HA -0.019 nan 4.420 nan 0.000 0.216 239 P C 1.365 178.835 177.300 0.284 0.000 1.153 239 P CA 0.775 64.005 63.100 0.218 0.000 0.848 239 P CB -0.200 31.633 31.700 0.221 0.000 0.787 240 F N 0.605 120.633 119.950 0.129 0.000 2.032 240 F HA -0.305 4.222 4.527 -0.000 0.000 0.297 240 F C 1.819 177.648 175.800 0.049 0.000 1.125 240 F CA 1.438 59.488 58.000 0.084 0.000 1.202 240 F CB -0.691 38.211 39.000 -0.164 0.000 0.958 240 F HN -0.238 nan 8.300 nan 0.000 0.491 241 L N -0.034 121.067 121.223 -0.203 0.000 2.083 241 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 241 L C 2.401 179.225 176.870 -0.077 0.000 1.083 241 L CA 1.705 56.342 54.840 -0.337 0.000 0.752 241 L CB -1.222 40.647 42.059 -0.316 0.000 0.899 241 L HN 0.290 nan 8.230 nan 0.000 0.433 242 T N 0.592 115.200 114.554 0.089 0.000 2.674 242 T HA -0.199 4.151 4.350 -0.000 0.000 0.265 242 T C 1.853 176.719 174.700 0.277 0.000 1.039 242 T CA 1.752 64.009 62.100 0.261 0.000 1.150 242 T CB -0.267 68.770 68.868 0.282 0.000 0.864 242 T HN 0.253 nan 8.240 nan 0.000 0.427 243 L N 1.344 122.709 121.223 0.237 0.000 2.046 243 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 243 L C 2.478 179.475 176.870 0.210 0.000 1.077 243 L CA 2.069 57.053 54.840 0.240 0.000 0.747 243 L CB -0.805 41.411 42.059 0.262 0.000 0.896 243 L HN 0.179 nan 8.230 nan 0.000 0.432 244 A N -0.797 122.125 122.820 0.170 0.000 2.014 244 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 244 A C 2.211 179.825 177.584 0.050 0.000 1.163 244 A CA 1.660 53.772 52.037 0.125 0.000 0.652 244 A CB -0.594 18.423 19.000 0.028 0.000 0.808 244 A HN 0.529 nan 8.150 nan 0.000 0.449 245 L N -2.913 118.268 121.223 -0.069 0.000 2.515 245 L HA 0.198 4.538 4.340 -0.000 0.000 0.223 245 L C 1.786 178.448 176.870 -0.346 0.000 1.079 245 L CA 0.437 55.140 54.840 -0.228 0.000 0.857 245 L CB 0.032 41.818 42.059 -0.456 0.000 1.050 245 L HN 0.459 nan 8.230 nan 0.000 0.476 246 F N -1.786 118.215 119.950 0.083 0.000 2.514 246 F HA 0.111 4.638 4.527 -0.000 0.000 0.281 246 F C 1.673 177.514 175.800 0.068 0.000 1.060 246 F CA 0.078 58.117 58.000 0.065 0.000 1.397 246 F CB 0.465 39.497 39.000 0.053 0.000 1.129 246 F HN -0.207 nan 8.300 nan 0.000 0.620 247 S N 0.786 116.642 115.700 0.259 0.000 2.078 247 S HA 0.298 4.768 4.470 -0.000 0.000 0.168 247 S C -2.020 172.687 174.600 0.177 0.000 1.542 247 S CA -1.556 56.756 58.200 0.188 0.000 1.223 247 S CB -0.148 63.154 63.200 0.170 0.000 1.152 247 S HN -0.165 nan 8.310 nan 0.000 0.452 248 P HA -0.109 nan 4.420 nan 0.000 0.217 248 P C 0.514 177.942 177.300 0.213 0.000 1.151 248 P CA 1.308 64.523 63.100 0.193 0.000 0.849 248 P CB 0.080 31.890 31.700 0.184 0.000 0.787 249 N N -1.741 117.069 118.700 0.183 0.000 2.204 249 N HA 0.074 4.814 4.740 -0.000 0.000 0.219 249 N C 1.261 176.871 175.510 0.166 0.000 1.151 249 N CA -0.228 52.938 53.050 0.193 0.000 0.867 249 N CB -0.049 38.531 38.487 0.156 0.000 1.043 249 N HN 0.066 nan 8.380 nan 0.000 0.516 250 L N 0.995 122.313 121.223 0.158 0.000 2.089 250 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 250 L C 1.803 178.762 176.870 0.148 0.000 1.079 250 L CA 1.717 56.638 54.840 0.135 0.000 0.758 250 L CB -0.218 41.921 42.059 0.133 0.000 0.891 250 L HN 0.144 nan 8.230 nan 0.000 0.433 251 L N -1.542 119.797 121.223 0.194 0.000 2.168 251 L HA 0.192 4.532 4.340 -0.000 0.000 0.203 251 L C 1.431 178.432 176.870 0.219 0.000 1.078 251 L CA 0.297 55.273 54.840 0.227 0.000 0.780 251 L CB -1.016 41.234 42.059 0.319 0.000 0.939 251 L HN 0.299 nan 8.230 nan 0.000 0.451 252 G N 0.416 109.360 108.800 0.240 0.000 2.398 252 G HA2 0.004 3.964 3.960 -0.000 0.000 0.246 252 G HA3 0.004 3.964 3.960 -0.000 0.000 0.246 252 G C -0.667 174.381 174.900 0.246 0.000 1.289 252 G CA -0.289 44.970 45.100 0.264 0.000 0.869 252 G HN 0.021 nan 8.290 nan 0.000 0.543 253 D N 2.295 122.848 120.400 0.254 0.000 2.389 253 D HA 0.090 4.730 4.640 -0.000 0.000 0.247 253 D C -0.840 175.629 176.300 0.281 0.000 1.128 253 D CA -1.569 52.567 54.000 0.228 0.000 0.884 253 D CB 1.932 42.869 40.800 0.228 0.000 1.194 253 D HN 0.164 nan 8.370 nan 0.000 0.441 254 P HA -0.053 nan 4.420 nan 0.000 0.227 254 P C 0.907 178.384 177.300 0.295 0.000 1.161 254 P CA 0.457 63.693 63.100 0.227 0.000 0.788 254 P CB 0.435 32.171 31.700 0.061 0.000 0.822 255 E N 0.614 120.950 120.200 0.226 0.000 2.396 255 E HA -0.152 4.198 4.350 -0.000 0.000 0.200 255 E C 1.274 178.013 176.600 0.232 0.000 1.023 255 E CA 0.669 57.186 56.400 0.195 0.000 0.857 255 E CB -0.848 28.943 29.700 0.152 0.000 0.775 255 E HN 0.024 nan 8.360 nan 0.000 0.525 256 N N -0.982 117.895 118.700 0.295 0.000 2.276 256 N HA 0.087 4.827 4.740 -0.000 0.000 0.212 256 N C -0.619 175.033 175.510 0.237 0.000 1.127 256 N CA 0.074 53.254 53.050 0.217 0.000 0.834 256 N CB 0.093 38.660 38.487 0.132 0.000 1.014 256 N HN 0.107 nan 8.380 nan 0.000 0.491 257 F N -1.039 119.040 119.950 0.216 0.000 2.661 257 F HA 0.326 4.853 4.527 -0.000 0.000 0.306 257 F C 0.383 176.346 175.800 0.271 0.000 1.094 257 F CA -0.002 58.174 58.000 0.293 0.000 1.254 257 F CB 0.805 39.918 39.000 0.189 0.000 1.040 257 F HN -0.256 nan 8.300 nan 0.000 0.562 258 T N 2.240 116.961 114.554 0.278 0.000 2.791 258 T HA 0.306 4.656 4.350 -0.000 0.000 0.288 258 T C -2.589 172.036 174.700 -0.125 0.000 0.999 258 T CA -1.734 60.389 62.100 0.038 0.000 0.952 258 T CB 1.579 70.484 68.868 0.062 0.000 0.938 258 T HN -0.306 nan 8.240 nan 0.000 0.444 259 P HA 0.112 nan 4.420 nan 0.000 0.261 259 P C -0.330 176.818 177.300 -0.253 0.000 1.173 259 P CA -0.099 62.690 63.100 -0.517 0.000 0.760 259 P CB 0.273 31.575 31.700 -0.664 0.000 0.783 260 A N 3.672 126.333 122.820 -0.264 0.000 2.613 260 A HA 0.121 4.441 4.320 -0.000 0.000 0.230 260 A C 0.577 177.915 177.584 -0.410 0.000 1.051 260 A CA 0.746 52.536 52.037 -0.410 0.000 0.754 260 A CB -0.538 17.909 19.000 -0.923 0.000 0.979 260 A HN 0.672 nan 8.150 nan 0.000 0.510 261 N N 1.477 119.960 118.700 -0.363 0.000 2.616 261 N HA 0.385 5.125 4.740 -0.000 0.000 0.281 261 N C -2.766 172.637 175.510 -0.178 0.000 1.145 261 N CA -1.691 51.194 53.050 -0.275 0.000 0.919 261 N CB 1.783 40.207 38.487 -0.104 0.000 1.509 261 N HN 0.051 nan 8.380 nan 0.000 0.537 262 P HA 0.062 nan 4.420 nan 0.000 0.234 262 P C 0.483 177.912 177.300 0.215 0.000 1.167 262 P CA 0.815 63.816 63.100 -0.164 0.000 0.763 262 P CB 0.311 31.828 31.700 -0.304 0.000 0.835 263 L N -1.147 120.145 121.223 0.115 0.000 2.791 263 L HA 0.213 4.553 4.340 -0.000 0.000 0.239 263 L C -0.191 176.723 176.870 0.073 0.000 1.203 263 L CA -0.069 54.827 54.840 0.094 0.000 1.002 263 L CB 0.441 42.514 42.059 0.023 0.000 1.295 263 L HN -0.255 nan 8.230 nan 0.000 0.504 264 V N -0.952 119.035 119.914 0.123 0.000 2.610 264 V HA 0.145 4.265 4.120 -0.000 0.000 0.288 264 V C -0.155 175.756 176.094 -0.305 0.000 1.055 264 V CA -0.452 61.819 62.300 -0.049 0.000 0.902 264 V CB 1.950 33.751 31.823 -0.036 0.000 1.030 264 V HN 0.072 nan 8.190 nan 0.000 0.448 265 T N 7.124 121.333 114.554 -0.575 0.000 2.817 265 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 265 T C -2.326 171.935 174.700 -0.731 0.000 0.964 265 T CA -0.885 60.500 62.100 -1.191 0.000 1.085 265 T CB 1.530 69.876 68.868 -0.870 0.000 0.921 265 T HN 0.364 nan 8.240 nan 0.000 0.502 266 P HA 0.178 nan 4.420 nan 0.000 0.272 266 P C -1.730 175.385 177.300 -0.308 0.000 1.223 266 P CA -1.270 61.609 63.100 -0.369 0.000 0.784 266 P CB 0.173 31.735 31.700 -0.230 0.000 0.923 267 P HA -0.154 nan 4.420 nan 0.000 0.213 267 P C -0.415 176.529 177.300 -0.594 0.000 1.176 267 P CA 1.636 64.488 63.100 -0.414 0.000 0.919 267 P CB -0.077 31.442 31.700 -0.302 0.000 0.791 268 H N -1.874 117.182 119.070 -0.023 0.000 2.860 268 H HA 0.393 4.949 4.556 -0.000 0.000 0.312 268 H C -0.418 174.937 175.328 0.045 0.000 0.995 268 H CA -0.550 55.506 56.048 0.014 0.000 1.311 268 H CB 0.399 30.176 29.762 0.025 0.000 1.478 268 H HN -0.029 nan 8.280 nan 0.000 0.508 269 I N 5.212 125.874 120.570 0.153 0.000 2.322 269 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 269 I C -0.169 176.077 176.117 0.216 0.000 1.060 269 I CA -0.161 61.233 61.300 0.157 0.000 1.309 269 I CB 0.162 38.253 38.000 0.152 0.000 1.415 269 I HN 0.536 nan 8.210 nan 0.000 0.492 270 K N 7.696 128.164 120.400 0.114 0.000 2.498 270 K HA 0.648 4.968 4.320 -0.000 0.000 0.254 270 K C -3.123 173.392 176.600 -0.142 0.000 0.933 270 K CA -1.663 54.644 56.287 0.033 0.000 0.806 270 K CB 2.441 35.049 32.500 0.180 0.000 1.301 270 K HN 0.116 nan 8.250 nan 0.000 0.432 271 P HA 0.077 nan 4.420 nan 0.000 0.277 271 P C -0.548 176.560 177.300 -0.320 0.000 1.276 271 P CA -0.283 62.618 63.100 -0.332 0.000 0.788 271 P CB 0.530 32.037 31.700 -0.322 0.000 1.114 272 E N -0.020 119.841 120.200 -0.566 0.000 2.425 272 E HA -0.053 4.297 4.350 -0.000 0.000 0.258 272 E C 1.712 177.941 176.600 -0.619 0.000 1.151 272 E CA -0.060 55.926 56.400 -0.689 0.000 0.958 272 E CB 0.033 28.945 29.700 -1.313 0.000 0.968 272 E HN 0.648 nan 8.360 nan 0.000 0.451 273 W N 2.742 123.783 121.300 -0.432 0.000 2.304 273 W HA -0.312 4.348 4.660 -0.000 0.000 0.315 273 W C 1.448 177.840 176.519 -0.212 0.000 1.233 273 W CA 1.521 58.731 57.345 -0.224 0.000 1.261 273 W CB -1.242 28.176 29.460 -0.071 0.000 1.150 273 W HN 0.605 nan 8.180 nan 0.000 0.494 274 Y N -2.025 117.684 120.300 -0.985 0.000 2.751 274 Y HA 0.129 4.679 4.550 -0.000 0.000 0.310 274 Y C 1.401 176.915 175.900 -0.643 0.000 1.176 274 Y CA 0.435 57.889 58.100 -1.075 0.000 1.360 274 Y CB -1.847 35.307 38.460 -2.177 0.000 0.999 274 Y HN -0.024 nan 8.280 nan 0.000 0.532 275 F N -1.429 118.339 119.950 -0.304 0.000 2.834 275 F HA 0.177 4.704 4.527 -0.000 0.000 0.332 275 F C 1.805 177.420 175.800 -0.309 0.000 1.056 275 F CA -0.357 57.459 58.000 -0.307 0.000 1.178 275 F CB 0.258 39.033 39.000 -0.376 0.000 1.037 275 F HN -0.026 nan 8.300 nan 0.000 0.580 276 L N 0.565 121.808 121.223 0.033 0.000 1.991 276 L HA -0.329 4.011 4.340 -0.000 0.000 0.221 276 L C 2.632 179.528 176.870 0.042 0.000 1.079 276 L CA 2.281 57.172 54.840 0.085 0.000 0.778 276 L CB -1.140 40.995 42.059 0.127 0.000 0.893 276 L HN 0.323 nan 8.230 nan 0.000 0.437 277 F N 0.705 120.681 119.950 0.043 0.000 2.111 277 F HA -0.286 4.241 4.527 -0.000 0.000 0.300 277 F C 2.267 178.056 175.800 -0.019 0.000 1.088 277 F CA 1.331 59.320 58.000 -0.018 0.000 1.243 277 F CB -0.996 37.955 39.000 -0.081 0.000 0.996 277 F HN -0.017 nan 8.300 nan 0.000 0.483 278 A N -0.917 121.169 122.820 -1.222 0.000 2.021 278 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 278 A C 2.085 179.510 177.584 -0.265 0.000 1.163 278 A CA 0.872 52.407 52.037 -0.837 0.000 0.676 278 A CB -1.466 16.947 19.000 -0.979 0.000 0.818 278 A HN 0.583 nan 8.150 nan 0.000 0.453 279 Y N 0.923 121.024 120.300 -0.333 0.000 2.224 279 Y HA -0.075 4.475 4.550 -0.000 0.000 0.289 279 Y C 2.597 178.405 175.900 -0.153 0.000 1.146 279 Y CA 0.654 58.630 58.100 -0.206 0.000 1.182 279 Y CB -0.732 37.633 38.460 -0.159 0.000 0.983 279 Y HN 0.316 nan 8.280 nan 0.000 0.524 280 A N 0.151 122.911 122.820 -0.100 0.000 1.873 280 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 280 A C 2.324 179.838 177.584 -0.116 0.000 1.186 280 A CA 1.825 53.769 52.037 -0.155 0.000 0.616 280 A CB -1.088 17.859 19.000 -0.089 0.000 0.823 280 A HN 0.459 nan 8.150 nan 0.000 0.442 281 I N -0.479 120.049 120.570 -0.070 0.000 2.614 281 I HA -0.187 3.983 4.170 -0.000 0.000 0.258 281 I C 2.329 178.417 176.117 -0.049 0.000 1.189 281 I CA 0.692 61.975 61.300 -0.029 0.000 1.462 281 I CB -0.200 37.820 38.000 0.033 0.000 1.092 281 I HN 0.395 nan 8.210 nan 0.000 0.442 282 L N 1.201 122.380 121.223 -0.072 0.000 2.027 282 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 282 L C 2.600 179.417 176.870 -0.089 0.000 1.074 282 L CA 1.821 56.625 54.840 -0.060 0.000 0.745 282 L CB -0.529 41.517 42.059 -0.022 0.000 0.898 282 L HN 0.095 nan 8.230 nan 0.000 0.433 283 R N -0.366 120.040 120.500 -0.156 0.000 2.193 283 R HA -0.021 4.319 4.340 -0.000 0.000 0.213 283 R C 2.333 178.569 176.300 -0.107 0.000 1.055 283 R CA 1.098 57.103 56.100 -0.158 0.000 0.995 283 R CB -0.766 29.379 30.300 -0.258 0.000 0.893 283 R HN 0.664 nan 8.270 nan 0.000 0.459 284 S N 1.299 116.942 115.700 -0.095 0.000 2.374 284 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 284 S C 1.185 175.750 174.600 -0.058 0.000 1.037 284 S CA 0.791 58.952 58.200 -0.066 0.000 1.024 284 S CB -0.209 62.960 63.200 -0.052 0.000 0.861 284 S HN 0.078 nan 8.310 nan 0.000 0.456 285 I N 4.178 124.711 120.570 -0.063 0.000 2.287 285 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 285 I C -2.514 173.576 176.117 -0.045 0.000 1.069 285 I CA -3.058 58.209 61.300 -0.055 0.000 1.237 285 I CB 0.314 38.277 38.000 -0.061 0.000 1.418 285 I HN 0.155 nan 8.210 nan 0.000 0.481 286 P HA 0.189 nan 4.420 nan 0.000 0.266 286 P C -0.301 176.985 177.300 -0.023 0.000 1.586 286 P CA -0.016 63.066 63.100 -0.030 0.000 1.088 286 P CB 0.564 32.249 31.700 -0.025 0.000 1.584 287 N N 3.572 122.259 118.700 -0.021 0.000 4.308 287 N HA -0.033 4.707 4.740 -0.000 0.000 0.168 287 N C 0.784 176.286 175.510 -0.013 0.000 1.348 287 N CA -0.208 52.832 53.050 -0.016 0.000 0.882 287 N CB 0.468 38.944 38.487 -0.019 0.000 1.713 287 N HN 0.046 nan 8.380 nan 0.000 0.818 288 K N 0.732 121.127 120.400 -0.008 0.000 2.128 288 K HA -0.272 4.048 4.320 -0.000 0.000 0.220 288 K C 1.642 178.241 176.600 -0.002 0.000 1.049 288 K CA 2.389 58.674 56.287 -0.003 0.000 0.948 288 K CB 0.031 32.531 32.500 0.001 0.000 0.742 288 K HN 0.426 nan 8.250 nan 0.000 0.465 289 L N 0.088 121.308 121.223 -0.004 0.000 1.988 289 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 289 L C 2.244 179.112 176.870 -0.003 0.000 1.071 289 L CA 2.459 57.298 54.840 -0.001 0.000 0.744 289 L CB -1.338 40.715 42.059 -0.011 0.000 0.893 289 L HN 0.327 nan 8.230 nan 0.000 0.433 290 G N -0.899 107.893 108.800 -0.013 0.000 2.469 290 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 290 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 290 G C 1.521 176.407 174.900 -0.022 0.000 1.150 290 G CA 0.752 45.839 45.100 -0.021 0.000 0.763 290 G HN 0.628 nan 8.290 nan 0.000 0.561 291 G N 0.040 108.828 108.800 -0.021 0.000 2.432 291 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.219 291 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.219 291 G C 1.745 176.642 174.900 -0.005 0.000 1.135 291 G CA 1.101 46.187 45.100 -0.024 0.000 0.767 291 G HN 0.349 nan 8.290 nan 0.000 0.550 292 V N 0.920 120.839 119.914 0.009 0.000 2.270 292 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 292 V C 2.930 179.049 176.094 0.042 0.000 1.043 292 V CA 1.540 63.858 62.300 0.031 0.000 1.014 292 V CB -0.439 31.416 31.823 0.053 0.000 0.645 292 V HN 0.361 nan 8.190 nan 0.000 0.447 293 L N 0.274 121.518 121.223 0.036 0.000 2.042 293 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 293 L C 2.750 179.664 176.870 0.073 0.000 1.076 293 L CA 1.746 56.617 54.840 0.050 0.000 0.749 293 L CB -0.984 41.094 42.059 0.030 0.000 0.893 293 L HN 0.362 nan 8.230 nan 0.000 0.432 294 A N 0.136 122.976 122.820 0.033 0.000 1.908 294 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 294 A C 2.228 179.900 177.584 0.146 0.000 1.181 294 A CA 2.003 54.059 52.037 0.032 0.000 0.627 294 A CB -0.701 18.263 19.000 -0.061 0.000 0.818 294 A HN 0.350 nan 8.150 nan 0.000 0.445 295 L N -0.250 121.021 121.223 0.081 0.000 2.005 295 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 295 L C 2.627 179.562 176.870 0.108 0.000 1.072 295 L CA 2.243 57.122 54.840 0.065 0.000 0.744 295 L CB -1.331 40.727 42.059 -0.001 0.000 0.895 295 L HN 0.369 nan 8.230 nan 0.000 0.433 296 A N 0.223 123.104 122.820 0.101 0.000 1.863 296 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 296 A C 2.454 180.141 177.584 0.172 0.000 1.233 296 A CA 3.035 55.141 52.037 0.115 0.000 0.655 296 A CB -1.655 17.406 19.000 0.102 0.000 0.839 296 A HN 0.694 nan 8.150 nan 0.000 0.454 297 A N -0.219 122.740 122.820 0.232 0.000 2.070 297 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 297 A C 2.386 180.158 177.584 0.313 0.000 1.159 297 A CA 2.253 54.472 52.037 0.305 0.000 0.656 297 A CB -1.034 18.219 19.000 0.422 0.000 0.800 297 A HN 1.276 nan 8.150 nan 0.000 0.453 298 S N -0.903 115.017 115.700 0.365 0.000 2.419 298 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 298 S C 1.552 176.294 174.600 0.237 0.000 1.019 298 S CA 1.663 60.037 58.200 0.290 0.000 0.982 298 S CB -0.396 62.952 63.200 0.247 0.000 0.789 298 S HN 0.271 nan 8.310 nan 0.000 0.490 299 V N 0.786 120.821 119.914 0.203 0.000 2.908 299 V HA 0.277 4.397 4.120 -0.000 0.000 0.240 299 V C 2.227 178.357 176.094 0.059 0.000 1.117 299 V CA 0.513 62.908 62.300 0.158 0.000 1.133 299 V CB -0.402 31.520 31.823 0.165 0.000 0.857 299 V HN 0.404 nan 8.190 nan 0.000 0.478 300 L N -0.012 121.273 121.223 0.105 0.000 2.353 300 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 300 L C 2.335 179.294 176.870 0.148 0.000 1.133 300 L CA 0.970 55.894 54.840 0.140 0.000 0.798 300 L CB -0.451 41.749 42.059 0.235 0.000 0.922 300 L HN 0.349 nan 8.230 nan 0.000 0.445 301 I N 0.103 120.735 120.570 0.103 0.000 2.335 301 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 301 I C 2.121 178.274 176.117 0.059 0.000 1.129 301 I CA 1.470 62.809 61.300 0.066 0.000 1.402 301 I CB -0.094 37.867 38.000 -0.064 0.000 1.069 301 I HN 0.090 nan 8.210 nan 0.000 0.424 302 L N -0.543 120.685 121.223 0.009 0.000 2.129 302 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 302 L C 2.261 179.247 176.870 0.194 0.000 1.087 302 L CA 1.862 56.732 54.840 0.050 0.000 0.757 302 L CB -0.907 41.059 42.059 -0.157 0.000 0.896 302 L HN 0.201 nan 8.230 nan 0.000 0.434 303 F N -1.316 118.736 119.950 0.170 0.000 2.408 303 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 303 F C 1.983 177.838 175.800 0.093 0.000 1.090 303 F CA 0.397 58.497 58.000 0.167 0.000 1.427 303 F CB -0.057 39.017 39.000 0.123 0.000 1.070 303 F HN 0.044 nan 8.300 nan 0.000 0.549 304 L N -0.906 120.459 121.223 0.237 0.000 2.416 304 L HA -0.089 4.251 4.340 -0.000 0.000 0.216 304 L C 2.215 179.043 176.870 -0.070 0.000 1.098 304 L CA -0.085 54.840 54.840 0.143 0.000 0.840 304 L CB -0.328 41.828 42.059 0.162 0.000 0.981 304 L HN 0.077 nan 8.230 nan 0.000 0.462 305 I N 1.101 121.573 120.570 -0.165 0.000 2.143 305 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 305 I C -0.030 175.658 176.117 -0.715 0.000 1.068 305 I CA 2.103 63.108 61.300 -0.492 0.000 1.326 305 I CB -2.375 35.214 38.000 -0.684 0.000 1.028 305 I HN 0.168 nan 8.210 nan 0.000 0.412 306 P HA -0.156 nan 4.420 nan 0.000 0.216 306 P C 1.644 178.737 177.300 -0.344 0.000 1.150 306 P CA 1.437 64.185 63.100 -0.586 0.000 0.837 306 P CB -0.145 31.111 31.700 -0.740 0.000 0.786 307 F N -1.902 118.011 119.950 -0.061 0.000 2.780 307 F HA 0.122 4.649 4.527 -0.000 0.000 0.299 307 F C 1.558 177.347 175.800 -0.019 0.000 1.146 307 F CA 0.489 58.480 58.000 -0.015 0.000 1.428 307 F CB -0.935 38.068 39.000 0.004 0.000 1.115 307 F HN -0.139 nan 8.300 nan 0.000 0.583 308 L N -0.637 120.616 121.223 0.051 0.000 2.928 308 L HA 0.178 4.518 4.340 -0.000 0.000 0.246 308 L C -0.267 176.593 176.870 -0.016 0.000 1.239 308 L CA -0.190 54.658 54.840 0.014 0.000 1.035 308 L CB -0.492 41.549 42.059 -0.030 0.000 1.360 308 L HN 0.028 nan 8.230 nan 0.000 0.529 309 H N 0.650 119.679 119.070 -0.069 0.000 2.594 309 H HA 0.245 4.801 4.556 -0.000 0.000 0.304 309 H C 0.625 175.943 175.328 -0.016 0.000 1.068 309 H CA -0.219 55.802 56.048 -0.045 0.000 1.308 309 H CB 0.857 30.646 29.762 0.045 0.000 1.409 309 H HN -0.125 nan 8.280 nan 0.000 0.460 310 K N 2.908 123.104 120.400 -0.340 0.000 2.380 310 K HA 0.071 4.391 4.320 -0.000 0.000 0.198 310 K C 0.606 177.026 176.600 -0.300 0.000 1.070 310 K CA -0.056 56.105 56.287 -0.211 0.000 1.040 310 K CB 0.640 33.079 32.500 -0.101 0.000 0.903 310 K HN 0.494 nan 8.250 nan 0.000 0.549 311 S N 1.410 116.764 115.700 -0.576 0.000 2.573 311 S HA 0.035 4.505 4.470 -0.000 0.000 0.277 311 S C 1.090 175.578 174.600 -0.186 0.000 1.346 311 S CA 0.040 58.025 58.200 -0.359 0.000 1.034 311 S CB 0.630 63.612 63.200 -0.363 0.000 0.879 311 S HN 0.017 nan 8.310 nan 0.000 0.528 312 K N 1.822 122.170 120.400 -0.087 0.000 2.426 312 K HA 0.141 4.461 4.320 -0.000 0.000 0.193 312 K C 0.248 176.830 176.600 -0.030 0.000 1.028 312 K CA 0.536 56.775 56.287 -0.080 0.000 1.047 312 K CB 0.124 32.516 32.500 -0.180 0.000 0.821 312 K HN 0.663 nan 8.250 nan 0.000 0.513 313 Q N -0.161 119.644 119.800 0.009 0.000 2.301 313 Q HA 0.313 4.653 4.340 -0.000 0.000 0.267 313 Q C 0.707 176.736 176.000 0.047 0.000 1.035 313 Q CA -0.443 55.378 55.803 0.030 0.000 0.856 313 Q CB 2.400 31.173 28.738 0.058 0.000 1.337 313 Q HN -0.076 nan 8.270 nan 0.000 0.450 314 R N 0.414 120.902 120.500 -0.020 0.000 2.055 314 R HA -0.036 4.304 4.340 -0.000 0.000 0.226 314 R C 0.878 177.086 176.300 -0.154 0.000 1.135 314 R CA 1.685 57.725 56.100 -0.100 0.000 0.959 314 R CB 0.022 30.206 30.300 -0.194 0.000 0.854 314 R HN 0.816 nan 8.270 nan 0.000 0.431 315 T N -2.594 111.834 114.554 -0.211 0.000 2.849 315 T HA 0.243 4.593 4.350 -0.000 0.000 0.276 315 T C 0.898 175.308 174.700 -0.483 0.000 0.971 315 T CA -0.673 61.209 62.100 -0.363 0.000 0.949 315 T CB 1.127 69.797 68.868 -0.329 0.000 1.093 315 T HN 0.112 nan 8.240 nan 0.000 0.545 316 M N 0.318 119.404 119.600 -0.856 0.000 2.419 316 M HA 0.122 4.602 4.480 -0.000 0.000 0.252 316 M C 1.666 177.529 176.300 -0.727 0.000 1.143 316 M CA -0.165 54.615 55.300 -0.868 0.000 0.985 316 M CB -0.114 31.679 32.600 -1.345 0.000 1.489 316 M HN 0.751 nan 8.290 nan 0.000 0.484 317 T N 0.316 114.464 114.554 -0.676 0.000 2.788 317 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 317 T C 0.899 175.447 174.700 -0.253 0.000 1.044 317 T CA 1.364 63.168 62.100 -0.494 0.000 1.139 317 T CB -0.180 68.231 68.868 -0.761 0.000 0.867 317 T HN 0.425 nan 8.240 nan 0.000 0.454 318 F N 0.711 120.610 119.950 -0.085 0.000 2.708 318 F HA 0.382 4.909 4.527 -0.000 0.000 0.300 318 F C 0.793 176.569 175.800 -0.041 0.000 1.118 318 F CA -0.751 57.227 58.000 -0.037 0.000 1.307 318 F CB 0.422 39.412 39.000 -0.017 0.000 0.986 318 F HN -0.275 nan 8.300 nan 0.000 0.522 319 R N 1.643 122.178 120.500 0.059 0.000 2.651 319 R HA 0.167 4.507 4.340 -0.000 0.000 0.282 319 R C -2.033 174.290 176.300 0.037 0.000 1.565 319 R CA -1.364 54.753 56.100 0.028 0.000 1.661 319 R CB 0.425 30.702 30.300 -0.039 0.000 1.189 319 R HN -0.052 nan 8.270 nan 0.000 0.621 320 P HA -0.232 nan 4.420 nan 0.000 0.218 320 P C 1.071 178.435 177.300 0.107 0.000 1.146 320 P CA 1.273 64.435 63.100 0.103 0.000 0.820 320 P CB 0.421 32.178 31.700 0.096 0.000 0.778 321 L N -0.479 120.794 121.223 0.083 0.000 2.023 321 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 321 L C 2.796 179.735 176.870 0.115 0.000 1.073 321 L CA 1.677 56.568 54.840 0.085 0.000 0.745 321 L CB -1.271 40.825 42.059 0.061 0.000 0.900 321 L HN -0.004 nan 8.230 nan 0.000 0.435 322 S N -0.505 115.265 115.700 0.116 0.000 2.383 322 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 322 S C 1.878 176.636 174.600 0.262 0.000 1.030 322 S CA 1.292 59.618 58.200 0.210 0.000 1.002 322 S CB -0.257 63.004 63.200 0.102 0.000 0.829 322 S HN 0.410 nan 8.310 nan 0.000 0.467 323 Q N 0.404 120.313 119.800 0.181 0.000 2.014 323 Q HA -0.186 4.154 4.340 -0.000 0.000 0.207 323 Q C 2.684 178.953 176.000 0.448 0.000 0.993 323 Q CA 2.024 58.011 55.803 0.308 0.000 0.850 323 Q CB -0.913 28.015 28.738 0.316 0.000 0.916 323 Q HN 0.809 nan 8.270 nan 0.000 0.417 324 T N -0.184 114.576 114.554 0.344 0.000 2.788 324 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 324 T C 1.834 176.676 174.700 0.236 0.000 1.044 324 T CA 1.067 63.359 62.100 0.321 0.000 1.139 324 T CB -0.300 68.681 68.868 0.188 0.000 0.867 324 T HN 0.106 nan 8.240 nan 0.000 0.454 325 L N 0.421 121.732 121.223 0.147 0.000 2.046 325 L HA 0.152 4.492 4.340 -0.000 0.000 0.208 325 L C 2.155 178.996 176.870 -0.047 0.000 1.077 325 L CA 1.416 56.228 54.840 -0.045 0.000 0.747 325 L CB -1.209 40.734 42.059 -0.193 0.000 0.896 325 L HN 0.384 nan 8.230 nan 0.000 0.432 326 F N -1.119 118.873 119.950 0.070 0.000 2.075 326 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 326 F C 1.919 177.660 175.800 -0.099 0.000 1.113 326 F CA 1.789 59.847 58.000 0.096 0.000 1.218 326 F CB -0.664 38.344 39.000 0.015 0.000 0.984 326 F HN 0.096 nan 8.300 nan 0.000 0.472 327 W N -0.159 121.273 121.300 0.219 0.000 2.465 327 W HA -0.097 4.563 4.660 -0.000 0.000 0.268 327 W C 2.051 178.531 176.519 -0.065 0.000 1.242 327 W CA 0.178 57.548 57.345 0.043 0.000 1.248 327 W CB -0.296 29.260 29.460 0.159 0.000 1.118 327 W HN 0.116 nan 8.180 nan 0.000 0.587 328 L N -0.237 121.075 121.223 0.149 0.000 2.072 328 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 328 L C 2.314 179.164 176.870 -0.034 0.000 1.079 328 L CA 1.437 56.306 54.840 0.049 0.000 0.752 328 L CB -1.149 40.907 42.059 -0.004 0.000 0.906 328 L HN -0.005 nan 8.230 nan 0.000 0.436 329 L N -1.298 119.840 121.223 -0.142 0.000 1.989 329 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 329 L C 2.412 179.184 176.870 -0.164 0.000 1.071 329 L CA 1.877 56.608 54.840 -0.181 0.000 0.749 329 L CB -0.748 41.146 42.059 -0.276 0.000 0.890 329 L HN 0.082 nan 8.230 nan 0.000 0.431 330 V N 0.405 120.148 119.914 -0.286 0.000 2.231 330 V HA -0.394 3.726 4.120 -0.000 0.000 0.250 330 V C 2.819 178.892 176.094 -0.036 0.000 1.058 330 V CA 2.102 64.283 62.300 -0.199 0.000 1.022 330 V CB -1.673 30.086 31.823 -0.106 0.000 0.640 330 V HN 0.653 nan 8.190 nan 0.000 0.445 331 A N 0.228 123.069 122.820 0.035 0.000 1.940 331 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 331 A C 2.142 179.745 177.584 0.032 0.000 1.176 331 A CA 2.072 54.133 52.037 0.041 0.000 0.631 331 A CB -0.870 18.162 19.000 0.053 0.000 0.814 331 A HN 0.598 nan 8.150 nan 0.000 0.446 332 N N 0.380 119.097 118.700 0.028 0.000 2.137 332 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 332 N C 1.542 177.097 175.510 0.075 0.000 1.017 332 N CA 1.730 54.817 53.050 0.062 0.000 0.859 332 N CB -0.413 38.115 38.487 0.069 0.000 1.002 332 N HN 0.546 nan 8.380 nan 0.000 0.428 333 L N 0.022 121.261 121.223 0.028 0.000 2.109 333 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 333 L C 2.466 179.347 176.870 0.019 0.000 1.086 333 L CA 0.393 55.225 54.840 -0.014 0.000 0.760 333 L CB -0.347 41.631 42.059 -0.134 0.000 0.910 333 L HN 0.150 nan 8.230 nan 0.000 0.437 334 L N -0.141 121.095 121.223 0.022 0.000 2.012 334 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 334 L C 2.527 179.469 176.870 0.119 0.000 1.073 334 L CA 1.571 56.440 54.840 0.048 0.000 0.748 334 L CB -0.351 41.720 42.059 0.020 0.000 0.891 334 L HN 0.217 nan 8.230 nan 0.000 0.431 335 I N -0.452 120.195 120.570 0.127 0.000 2.118 335 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 335 I C 2.484 178.757 176.117 0.260 0.000 1.070 335 I CA 1.512 62.955 61.300 0.238 0.000 1.327 335 I CB -0.358 37.758 38.000 0.193 0.000 1.034 335 I HN 0.245 nan 8.210 nan 0.000 0.405 336 L N 0.069 121.387 121.223 0.159 0.000 2.042 336 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 336 L C 2.680 179.622 176.870 0.120 0.000 1.076 336 L CA 1.694 56.604 54.840 0.117 0.000 0.749 336 L CB -0.842 41.282 42.059 0.108 0.000 0.893 336 L HN 0.318 nan 8.230 nan 0.000 0.432 337 T N -1.328 113.324 114.554 0.163 0.000 2.674 337 T HA -0.267 4.083 4.350 -0.000 0.000 0.265 337 T C 1.282 176.069 174.700 0.144 0.000 1.039 337 T CA 1.710 63.914 62.100 0.173 0.000 1.150 337 T CB -0.457 68.518 68.868 0.178 0.000 0.864 337 T HN 0.539 nan 8.240 nan 0.000 0.427 338 W N 2.296 123.579 121.300 -0.028 0.000 2.317 338 W HA -0.167 4.493 4.660 -0.000 0.000 0.318 338 W C 1.703 178.117 176.519 -0.175 0.000 1.227 338 W CA 0.794 58.085 57.345 -0.089 0.000 1.269 338 W CB -0.705 28.704 29.460 -0.086 0.000 1.155 338 W HN 0.074 nan 8.180 nan 0.000 0.484 339 I N 1.389 121.727 120.570 -0.386 0.000 2.248 339 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 339 I C 2.549 178.371 176.117 -0.491 0.000 1.107 339 I CA 1.936 62.818 61.300 -0.698 0.000 1.373 339 I CB -2.115 35.669 38.000 -0.360 0.000 1.055 339 I HN 0.277 nan 8.210 nan 0.000 0.418 340 G N 0.740 109.400 108.800 -0.233 0.000 2.450 340 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 340 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 340 G C 1.604 176.445 174.900 -0.099 0.000 1.130 340 G CA 1.092 46.119 45.100 -0.123 0.000 0.760 340 G HN 0.563 nan 8.290 nan 0.000 0.557 341 S N -0.822 114.779 115.700 -0.165 0.000 2.593 341 S HA 0.247 4.717 4.470 -0.000 0.000 0.217 341 S C 0.768 175.199 174.600 -0.282 0.000 0.966 341 S CA -0.025 58.095 58.200 -0.134 0.000 0.914 341 S CB 0.227 63.388 63.200 -0.064 0.000 0.776 341 S HN 0.243 nan 8.310 nan 0.000 0.523 342 Q N 2.114 121.610 119.800 -0.506 0.000 2.257 342 Q HA 0.540 4.880 4.340 -0.000 0.000 0.262 342 Q C -2.665 173.125 176.000 -0.351 0.000 0.997 342 Q CA -2.436 52.983 55.803 -0.640 0.000 0.873 342 Q CB 1.013 28.788 28.738 -1.606 0.000 1.312 342 Q HN 0.198 nan 8.270 nan 0.000 0.450 343 P HA 0.085 nan 4.420 nan 0.000 0.272 343 P C -0.281 177.064 177.300 0.075 0.000 1.240 343 P CA -0.303 62.812 63.100 0.025 0.000 0.791 343 P CB 0.645 32.399 31.700 0.089 0.000 0.978 344 V N 2.010 121.953 119.914 0.047 0.000 2.229 344 V HA 0.136 4.256 4.120 -0.000 0.000 0.245 344 V C 0.537 176.663 176.094 0.053 0.000 1.243 344 V CA 0.698 63.012 62.300 0.022 0.000 1.176 344 V CB -1.667 30.145 31.823 -0.020 0.000 1.323 344 V HN 0.547 nan 8.190 nan 0.000 0.499 345 E N 0.831 121.081 120.200 0.083 0.000 2.372 345 E HA 0.342 4.692 4.350 -0.000 0.000 0.279 345 E C -0.934 175.657 176.600 -0.015 0.000 0.946 345 E CA -1.038 55.385 56.400 0.039 0.000 0.769 345 E CB 1.985 31.696 29.700 0.019 0.000 1.230 345 E HN 0.680 nan 8.360 nan 0.000 0.442 346 H N 3.208 122.218 119.070 -0.101 0.000 2.871 346 H HA 0.042 4.598 4.556 -0.000 0.000 0.355 346 H C -1.317 173.826 175.328 -0.309 0.000 1.092 346 H CA -0.592 55.374 56.048 -0.136 0.000 1.420 346 H CB 0.903 30.611 29.762 -0.089 0.000 1.400 346 H HN 0.302 nan 8.280 nan 0.000 0.604 347 P HA -0.139 nan 4.420 nan 0.000 0.220 347 P C 1.341 178.408 177.300 -0.387 0.000 1.152 347 P CA 1.084 63.542 63.100 -1.070 0.000 0.812 347 P CB 0.096 31.380 31.700 -0.693 0.000 0.792 348 F N 0.708 120.501 119.950 -0.261 0.000 2.079 348 F HA -0.280 4.247 4.527 -0.000 0.000 0.296 348 F C 2.549 178.235 175.800 -0.189 0.000 1.084 348 F CA 0.699 58.537 58.000 -0.270 0.000 1.236 348 F CB -1.130 37.679 39.000 -0.318 0.000 0.984 348 F HN -0.196 nan 8.300 nan 0.000 0.488 349 I N -0.381 120.230 120.570 0.068 0.000 2.151 349 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 349 I C 2.407 178.541 176.117 0.028 0.000 1.080 349 I CA 1.362 62.681 61.300 0.032 0.000 1.339 349 I CB -0.463 37.563 38.000 0.044 0.000 1.039 349 I HN 0.157 nan 8.210 nan 0.000 0.409 350 I N 1.059 121.654 120.570 0.041 0.000 2.233 350 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 350 I C 2.294 178.437 176.117 0.044 0.000 1.093 350 I CA 1.518 62.849 61.300 0.051 0.000 1.380 350 I CB -0.208 37.843 38.000 0.086 0.000 1.067 350 I HN 0.056 nan 8.210 nan 0.000 0.413 351 I N 0.378 120.977 120.570 0.048 0.000 2.248 351 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 351 I C 2.492 178.652 176.117 0.072 0.000 1.107 351 I CA 1.386 62.742 61.300 0.093 0.000 1.373 351 I CB -1.388 36.719 38.000 0.179 0.000 1.055 351 I HN 0.377 nan 8.210 nan 0.000 0.418 352 G N 0.532 109.347 108.800 0.024 0.000 2.604 352 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 352 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 352 G C 1.460 176.371 174.900 0.017 0.000 1.265 352 G CA 0.630 45.726 45.100 -0.007 0.000 0.804 352 G HN 0.401 nan 8.290 nan 0.000 0.579 353 Q N -0.557 119.249 119.800 0.009 0.000 2.268 353 Q HA -0.162 4.178 4.340 -0.000 0.000 0.210 353 Q C 2.677 178.698 176.000 0.035 0.000 0.988 353 Q CA 1.417 57.227 55.803 0.011 0.000 0.883 353 Q CB -0.248 28.493 28.738 0.005 0.000 0.911 353 Q HN 0.358 nan 8.270 nan 0.000 0.430 354 M N 0.055 119.685 119.600 0.050 0.000 2.062 354 M HA -0.114 4.366 4.480 -0.000 0.000 0.259 354 M C 2.422 178.775 176.300 0.089 0.000 1.076 354 M CA 1.780 57.119 55.300 0.065 0.000 1.122 354 M CB -1.469 31.173 32.600 0.069 0.000 1.312 354 M HN 0.296 nan 8.290 nan 0.000 0.412 355 A N 0.233 123.114 122.820 0.102 0.000 1.927 355 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 355 A C 2.494 180.187 177.584 0.181 0.000 1.185 355 A CA 2.612 54.728 52.037 0.132 0.000 0.639 355 A CB -1.087 17.989 19.000 0.128 0.000 0.820 355 A HN 0.558 nan 8.150 nan 0.000 0.451 356 S N -0.534 115.255 115.700 0.148 0.000 2.359 356 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 356 S C 1.861 176.620 174.600 0.264 0.000 1.038 356 S CA 1.599 59.917 58.200 0.198 0.000 1.051 356 S CB -0.595 62.648 63.200 0.071 0.000 0.944 356 S HN 0.453 nan 8.310 nan 0.000 0.433 357 L N 2.211 123.515 121.223 0.135 0.000 1.990 357 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 357 L C 2.634 179.611 176.870 0.178 0.000 1.072 357 L CA 2.389 57.297 54.840 0.113 0.000 0.755 357 L CB -1.203 40.892 42.059 0.059 0.000 0.889 357 L HN 0.496 nan 8.230 nan 0.000 0.432 358 S N -1.827 113.968 115.700 0.159 0.000 2.356 358 S HA -0.323 4.147 4.470 -0.000 0.000 0.223 358 S C 2.093 176.787 174.600 0.156 0.000 1.032 358 S CA 1.279 59.553 58.200 0.123 0.000 1.005 358 S CB -1.397 61.855 63.200 0.087 0.000 0.867 358 S HN 0.527 nan 8.310 nan 0.000 0.449 359 Y N 2.131 122.509 120.300 0.130 0.000 2.002 359 Y HA -0.285 4.265 4.550 -0.000 0.000 0.268 359 Y C 1.947 177.900 175.900 0.088 0.000 1.177 359 Y CA 2.054 60.217 58.100 0.105 0.000 1.111 359 Y CB -1.002 37.570 38.460 0.188 0.000 0.952 359 Y HN 0.260 nan 8.280 nan 0.000 0.491 360 F N -0.313 119.676 119.950 0.066 0.000 2.171 360 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 360 F C 2.522 178.285 175.800 -0.062 0.000 1.090 360 F CA 1.853 59.842 58.000 -0.018 0.000 1.293 360 F CB -1.271 37.793 39.000 0.106 0.000 1.013 360 F HN 0.020 nan 8.300 nan 0.000 0.486 361 T N 0.700 115.343 114.554 0.149 0.000 2.708 361 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 361 T C 2.234 176.905 174.700 -0.047 0.000 1.037 361 T CA 1.448 63.579 62.100 0.052 0.000 1.146 361 T CB -0.493 68.403 68.868 0.047 0.000 0.865 361 T HN 0.154 nan 8.240 nan 0.000 0.435 362 I N 0.794 121.290 120.570 -0.124 0.000 2.151 362 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 362 I C 2.289 178.255 176.117 -0.251 0.000 1.080 362 I CA 1.446 62.583 61.300 -0.272 0.000 1.339 362 I CB -0.411 37.376 38.000 -0.356 0.000 1.039 362 I HN 0.215 nan 8.210 nan 0.000 0.409 363 L N -0.189 120.919 121.223 -0.192 0.000 2.131 363 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 363 L C 2.388 179.258 176.870 -0.000 0.000 1.087 363 L CA 1.021 55.832 54.840 -0.048 0.000 0.767 363 L CB -0.291 41.608 42.059 -0.266 0.000 0.917 363 L HN 0.261 nan 8.230 nan 0.000 0.441 364 L N -1.235 119.976 121.223 -0.019 0.000 2.202 364 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 364 L C 2.092 178.985 176.870 0.039 0.000 1.083 364 L CA 0.848 55.706 54.840 0.030 0.000 0.790 364 L CB 0.089 42.190 42.059 0.070 0.000 0.942 364 L HN 0.175 nan 8.230 nan 0.000 0.452 365 I N -1.232 119.352 120.570 0.024 0.000 3.132 365 I HA -0.060 4.110 4.170 -0.000 0.000 0.255 365 I C 2.082 178.204 176.117 0.008 0.000 1.118 365 I CA 0.330 61.642 61.300 0.020 0.000 1.463 365 I CB 0.059 38.069 38.000 0.016 0.000 1.356 365 I HN -0.037 nan 8.210 nan 0.000 0.463 366 L N -0.112 121.091 121.223 -0.034 0.000 1.943 366 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 366 L C 2.546 179.415 176.870 -0.001 0.000 1.074 366 L CA 1.906 56.707 54.840 -0.066 0.000 0.759 366 L CB -0.905 41.048 42.059 -0.176 0.000 0.888 366 L HN 0.149 nan 8.230 nan 0.000 0.433 367 F N 0.573 120.491 119.950 -0.053 0.000 2.045 367 F HA -0.267 4.260 4.527 -0.000 0.000 0.297 367 F C 0.092 175.851 175.800 -0.069 0.000 1.114 367 F CA 1.880 59.841 58.000 -0.065 0.000 1.207 367 F CB -1.562 37.385 39.000 -0.089 0.000 0.964 367 F HN 0.208 nan 8.300 nan 0.000 0.486 368 P HA -0.132 nan 4.420 nan 0.000 0.215 368 P C 1.364 178.684 177.300 0.033 0.000 1.153 368 P CA 1.987 65.118 63.100 0.052 0.000 0.853 368 P CB -0.311 31.414 31.700 0.042 0.000 0.788 369 T N 1.060 115.638 114.554 0.039 0.000 2.668 369 T HA -0.076 4.274 4.350 -0.000 0.000 0.262 369 T C 1.965 176.679 174.700 0.024 0.000 1.045 369 T CA 1.066 63.180 62.100 0.023 0.000 1.152 369 T CB -0.686 68.192 68.868 0.016 0.000 0.864 369 T HN -0.068 nan 8.240 nan 0.000 0.419 370 I N 1.797 122.388 120.570 0.036 0.000 2.248 370 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 370 I C 2.827 178.964 176.117 0.034 0.000 1.107 370 I CA 1.570 62.893 61.300 0.039 0.000 1.373 370 I CB -1.869 36.166 38.000 0.059 0.000 1.055 370 I HN 0.347 nan 8.210 nan 0.000 0.418 371 G N -0.014 108.803 108.800 0.028 0.000 2.418 371 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 371 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 371 G C 1.698 176.578 174.900 -0.032 0.000 1.158 371 G CA 1.305 46.388 45.100 -0.028 0.000 0.771 371 G HN 0.320 nan 8.290 nan 0.000 0.545 372 T N 1.173 115.716 114.554 -0.018 0.000 2.643 372 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 372 T C 2.281 176.985 174.700 0.008 0.000 1.045 372 T CA 1.366 63.462 62.100 -0.008 0.000 1.155 372 T CB -0.404 68.464 68.868 0.000 0.000 0.863 372 T HN 0.171 nan 8.240 nan 0.000 0.420 373 L N 1.313 122.544 121.223 0.012 0.000 2.089 373 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 373 L C 2.269 179.152 176.870 0.021 0.000 1.079 373 L CA 1.983 56.833 54.840 0.017 0.000 0.758 373 L CB -0.597 41.472 42.059 0.016 0.000 0.891 373 L HN 0.296 nan 8.230 nan 0.000 0.433 374 E N -0.649 119.564 120.200 0.021 0.000 2.077 374 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 374 E C 1.929 178.555 176.600 0.043 0.000 0.989 374 E CA 1.191 57.608 56.400 0.027 0.000 0.800 374 E CB -0.061 29.651 29.700 0.021 0.000 0.746 374 E HN 0.598 nan 8.360 nan 0.000 0.452 375 N N 0.768 119.496 118.700 0.046 0.000 2.104 375 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 375 N C 1.493 177.066 175.510 0.105 0.000 1.024 375 N CA 1.107 54.214 53.050 0.094 0.000 0.853 375 N CB -0.116 38.412 38.487 0.068 0.000 1.008 375 N HN 0.158 nan 8.380 nan 0.000 0.424 376 K N 0.415 120.851 120.400 0.061 0.000 2.147 376 K HA 0.032 4.352 4.320 -0.000 0.000 0.205 376 K C 1.920 178.533 176.600 0.021 0.000 1.049 376 K CA 0.823 57.136 56.287 0.043 0.000 0.936 376 K CB -0.103 32.414 32.500 0.029 0.000 0.722 376 K HN 0.169 nan 8.250 nan 0.000 0.446 377 M N 0.445 120.058 119.600 0.021 0.000 2.557 377 M HA -0.065 4.415 4.480 -0.000 0.000 0.259 377 M C 1.456 177.748 176.300 -0.013 0.000 1.086 377 M CA 1.062 56.365 55.300 0.005 0.000 1.096 377 M CB 0.148 32.755 32.600 0.012 0.000 1.424 377 M HN 0.098 nan 8.290 nan 0.000 0.488 378 L N -0.818 120.402 121.223 -0.005 0.000 2.567 378 L HA 0.106 4.446 4.340 -0.000 0.000 0.225 378 L C 0.361 177.110 176.870 -0.202 0.000 1.119 378 L CA -0.149 54.651 54.840 -0.067 0.000 0.871 378 L CB -0.084 41.999 42.059 0.039 0.000 1.036 378 L HN 0.370 nan 8.230 nan 0.000 0.459 379 N N -0.495 118.138 118.700 -0.112 0.000 2.806 379 N HA -0.238 4.502 4.740 -0.000 0.000 0.248 379 N C -0.877 174.538 175.510 -0.158 0.000 1.081 379 N CA 0.538 53.513 53.050 -0.126 0.000 0.680 379 N CB -1.404 36.986 38.487 -0.162 0.000 0.941 379 N HN 0.362 nan 8.380 nan 0.000 0.554 380 Y N 0.000 120.298 120.300 -0.004 0.000 2.660 380 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 380 Y CA 0.000 58.099 58.100 -0.002 0.000 1.940 380 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 380 Y HN 0.000 nan 8.280 nan 0.000 0.758