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 2wu0_1_C DATA FIRST_RESID 12 DATA SEQUENCE RDWQLEKVVE LSRAGIRPPT AGNREAIEAA TGRPWTEWTT HDGELTGHGY DATA SEQUENCE AAVVNKGREE GQHYRQLGLL QAGcPTAESI YVRASPLQRT RATAQALVDG DATA SEQUENCE AFPGcGVAIH YANGDADPLF QTDKFAATQT DPARQLAAVK EKAGDLAQRR DATA SEQUENCE QALAPTIQLL KQAVcQADKP cPIFDTPWRV EQSKSGKTTI SGLSVMANMV DATA SEQUENCE ETLRLGWSEN LPLSQLAWGK IAQASQITAL LPLLTENYDL SNDVLYTAQK DATA SEQUENCE RGSVLLNAML DGVKPEASPN VRWLLLVAHD TNIAMVRTLM NFSWQLPGYS DATA SEQUENCE RGNIPPGSSL VLERWRDAKS GERYLRVYFQ AQGLDDLRRL QTPDAQHPML DATA SEQUENCE RQEWRQPGcR QTDVGTLcPF QAAITALGQR IDRPSAPAVA MVLPK 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 12 R HA 0.000 nan 4.340 nan 0.000 0.208 12 R C 0.000 176.048 176.300 -0.420 0.000 0.893 12 R CA 0.000 55.903 56.100 -0.328 0.000 0.921 12 R CB 0.000 30.170 30.300 -0.217 0.000 0.687 13 D N 1.245 121.260 120.400 -0.641 0.000 2.593 13 D HA 0.570 5.210 4.640 -0.000 0.000 0.251 13 D C -1.130 174.837 176.300 -0.555 0.000 1.140 13 D CA -0.193 53.549 54.000 -0.430 0.000 0.855 13 D CB 0.931 41.614 40.800 -0.194 0.000 1.267 13 D HN 0.241 nan 8.370 nan 0.000 0.532 14 W N 2.297 123.653 121.300 0.095 0.000 2.666 14 W HA 0.540 5.200 4.660 -0.001 0.000 0.334 14 W C -0.349 176.375 176.519 0.342 0.000 1.051 14 W CA -0.971 56.500 57.345 0.210 0.000 1.224 14 W CB 1.659 31.185 29.460 0.110 0.000 1.405 14 W HN 0.155 nan 8.180 nan 0.000 0.513 15 Q N 2.524 122.691 119.800 0.611 0.000 2.310 15 Q HA 0.444 4.784 4.340 -0.000 0.000 0.270 15 Q C -1.515 174.568 176.000 0.139 0.000 1.025 15 Q CA -0.920 55.081 55.803 0.330 0.000 0.772 15 Q CB 1.682 30.516 28.738 0.160 0.000 1.253 15 Q HN 0.537 nan 8.270 nan 0.000 0.450 16 L N 3.701 124.707 121.223 -0.362 0.000 2.360 16 L HA 0.284 4.624 4.340 -0.000 0.000 0.276 16 L C 0.370 176.982 176.870 -0.429 0.000 1.121 16 L CA 1.059 55.334 54.840 -0.942 0.000 0.845 16 L CB 0.667 41.946 42.059 -1.301 0.000 1.143 16 L HN 0.884 nan 8.230 nan 0.000 0.452 17 E N 2.633 122.625 120.200 -0.345 0.000 2.206 17 E HA 0.093 4.442 4.350 -0.000 0.000 0.195 17 E C -0.270 176.220 176.600 -0.183 0.000 0.935 17 E CA 0.148 56.435 56.400 -0.188 0.000 0.875 17 E CB 0.588 30.221 29.700 -0.111 0.000 0.841 17 E HN 0.395 nan 8.360 nan 0.000 0.477 18 K N 0.586 120.860 120.400 -0.211 0.000 2.543 18 K HA 0.287 4.607 4.320 -0.000 0.000 0.255 18 K C -1.836 174.654 176.600 -0.183 0.000 0.934 18 K CA -0.432 55.768 56.287 -0.146 0.000 0.810 18 K CB 2.079 34.545 32.500 -0.058 0.000 1.315 18 K HN -0.168 nan 8.250 nan 0.000 0.433 19 V N 4.166 123.962 119.914 -0.197 0.000 2.417 19 V HA 0.573 4.693 4.120 -0.000 0.000 0.291 19 V C -0.755 175.363 176.094 0.040 0.000 1.024 19 V CA -0.865 61.313 62.300 -0.205 0.000 0.861 19 V CB 1.723 33.166 31.823 -0.633 0.000 0.985 19 V HN 0.564 nan 8.190 nan 0.000 0.436 20 V N 4.534 124.482 119.914 0.056 0.000 2.448 20 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 20 V C -0.290 175.876 176.094 0.121 0.000 1.025 20 V CA -0.507 61.868 62.300 0.125 0.000 0.859 20 V CB 1.750 33.624 31.823 0.085 0.000 0.988 20 V HN 0.984 nan 8.190 nan 0.000 0.431 21 E N 3.966 124.288 120.200 0.204 0.000 2.246 21 E HA 0.589 4.939 4.350 -0.000 0.000 0.266 21 E C -1.864 174.839 176.600 0.171 0.000 0.880 21 E CA -0.801 55.714 56.400 0.190 0.000 0.762 21 E CB 2.058 31.962 29.700 0.340 0.000 1.180 21 E HN 0.553 nan 8.360 nan 0.000 0.416 22 L N 4.006 125.312 121.223 0.138 0.000 2.298 22 L HA 0.511 4.850 4.340 -0.000 0.000 0.284 22 L C -1.048 175.891 176.870 0.115 0.000 1.013 22 L CA -0.104 54.820 54.840 0.140 0.000 0.824 22 L CB 1.504 43.663 42.059 0.167 0.000 1.221 22 L HN 0.446 nan 8.230 nan 0.000 0.418 23 S N 5.488 121.228 115.700 0.066 0.000 2.501 23 S HA 0.587 5.057 4.470 -0.000 0.000 0.301 23 S C -0.149 174.445 174.600 -0.011 0.000 1.096 23 S CA -0.802 57.418 58.200 0.033 0.000 1.063 23 S CB 1.006 64.216 63.200 0.016 0.000 1.042 23 S HN 0.787 nan 8.310 nan 0.000 0.494 24 R N 2.287 122.799 120.500 0.022 0.000 2.582 24 R HA 0.507 4.847 4.340 -0.000 0.000 0.271 24 R C 0.539 176.810 176.300 -0.048 0.000 1.078 24 R CA -0.075 56.027 56.100 0.002 0.000 1.127 24 R CB 0.415 30.761 30.300 0.076 0.000 1.038 24 R HN 0.848 nan 8.270 nan 0.000 0.500 25 A N 1.968 124.740 122.820 -0.080 0.000 2.536 25 A HA 0.209 4.528 4.320 -0.000 0.000 0.234 25 A C 0.606 178.185 177.584 -0.008 0.000 1.076 25 A CA 0.525 52.524 52.037 -0.064 0.000 0.769 25 A CB -0.113 18.863 19.000 -0.040 0.000 1.020 25 A HN 0.870 nan 8.150 nan 0.000 0.508 26 G N -0.555 108.242 108.800 -0.006 0.000 2.588 26 G HA2 0.450 4.410 3.960 -0.000 0.000 0.278 26 G HA3 0.450 4.410 3.960 -0.000 0.000 0.278 26 G C 0.107 175.054 174.900 0.079 0.000 1.307 26 G CA -0.899 44.221 45.100 0.033 0.000 1.016 26 G HN 0.781 nan 8.290 nan 0.000 0.503 27 I N 0.519 121.168 120.570 0.132 0.000 2.741 27 I HA 0.122 4.292 4.170 -0.000 0.000 0.288 27 I C 0.942 177.147 176.117 0.147 0.000 1.192 27 I CA 0.427 61.836 61.300 0.182 0.000 1.426 27 I CB 0.289 38.453 38.000 0.274 0.000 1.367 27 I HN 0.540 nan 8.210 nan 0.000 0.563 28 R N 6.418 126.959 120.500 0.068 0.000 2.892 28 R HA 0.743 5.083 4.340 -0.000 0.000 0.265 28 R C -2.950 173.066 176.300 -0.473 0.000 1.025 28 R CA -2.082 53.962 56.100 -0.092 0.000 0.982 28 R CB 0.518 30.765 30.300 -0.087 0.000 1.185 28 R HN 0.145 nan 8.270 nan 0.000 0.484 29 P HA 0.154 nan 4.420 nan 0.000 0.274 29 P C -2.443 174.419 177.300 -0.729 0.000 1.260 29 P CA -1.355 60.751 63.100 -1.657 0.000 0.793 29 P CB -0.251 30.611 31.700 -1.397 0.000 1.048 30 P HA -0.051 nan 4.420 nan 0.000 0.266 30 P C 0.060 177.220 177.300 -0.233 0.000 1.193 30 P CA 0.501 63.439 63.100 -0.270 0.000 0.770 30 P CB -0.225 31.352 31.700 -0.205 0.000 0.836 31 T N -1.280 113.180 114.554 -0.157 0.000 2.748 31 T HA 0.218 4.568 4.350 -0.000 0.000 0.304 31 T C 1.636 176.269 174.700 -0.112 0.000 1.041 31 T CA 0.109 62.136 62.100 -0.122 0.000 1.033 31 T CB 0.067 68.877 68.868 -0.097 0.000 0.995 31 T HN 0.429 nan 8.240 nan 0.000 0.536 32 A N 1.035 123.803 122.820 -0.086 0.000 1.940 32 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 32 A C 2.481 180.021 177.584 -0.073 0.000 1.176 32 A CA 1.808 53.803 52.037 -0.069 0.000 0.631 32 A CB -1.641 17.327 19.000 -0.053 0.000 0.814 32 A HN 1.088 nan 8.150 nan 0.000 0.446 33 G N -0.449 108.304 108.800 -0.078 0.000 2.403 33 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 33 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 33 G C 1.412 176.253 174.900 -0.099 0.000 1.154 33 G CA 0.911 45.963 45.100 -0.080 0.000 0.784 33 G HN 0.703 nan 8.290 nan 0.000 0.538 34 N N 0.100 118.731 118.700 -0.114 0.000 2.043 34 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 34 N C 2.269 177.665 175.510 -0.189 0.000 1.037 34 N CA 1.037 53.999 53.050 -0.147 0.000 0.851 34 N CB -0.171 38.228 38.487 -0.148 0.000 1.027 34 N HN 0.226 nan 8.380 nan 0.000 0.422 35 R N 1.441 121.841 120.500 -0.165 0.000 2.080 35 R HA -0.211 4.129 4.340 -0.000 0.000 0.236 35 R C 2.133 178.354 176.300 -0.133 0.000 1.137 35 R CA 1.667 57.669 56.100 -0.163 0.000 0.943 35 R CB -0.139 30.110 30.300 -0.086 0.000 0.846 35 R HN 0.117 nan 8.270 nan 0.000 0.431 36 E N 0.346 120.493 120.200 -0.088 0.000 2.065 36 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 36 E C 1.702 178.256 176.600 -0.078 0.000 1.016 36 E CA 2.200 58.563 56.400 -0.061 0.000 0.818 36 E CB -0.401 29.270 29.700 -0.049 0.000 0.749 36 E HN 0.469 nan 8.360 nan 0.000 0.453 37 A N 0.895 123.651 122.820 -0.105 0.000 1.877 37 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 37 A C 2.435 179.936 177.584 -0.139 0.000 1.186 37 A CA 1.843 53.815 52.037 -0.109 0.000 0.620 37 A CB -0.977 17.954 19.000 -0.116 0.000 0.822 37 A HN 0.562 nan 8.150 nan 0.000 0.443 38 I N -3.191 117.229 120.570 -0.251 0.000 2.617 38 I HA -0.051 4.118 4.170 -0.000 0.000 0.256 38 I C 1.722 177.676 176.117 -0.272 0.000 1.167 38 I CA 1.647 62.721 61.300 -0.377 0.000 1.469 38 I CB -0.432 37.078 38.000 -0.817 0.000 1.098 38 I HN 0.292 nan 8.210 nan 0.000 0.436 39 E N 1.969 122.057 120.200 -0.188 0.000 2.112 39 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 39 E C 2.438 179.106 176.600 0.113 0.000 0.979 39 E CA 1.110 57.554 56.400 0.074 0.000 0.814 39 E CB -0.046 29.716 29.700 0.104 0.000 0.762 39 E HN 0.662 nan 8.360 nan 0.000 0.460 40 A N 1.621 124.467 122.820 0.044 0.000 1.898 40 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 40 A C 2.403 180.027 177.584 0.067 0.000 1.181 40 A CA 1.429 53.495 52.037 0.049 0.000 0.620 40 A CB -0.517 18.492 19.000 0.016 0.000 0.819 40 A HN 0.266 nan 8.150 nan 0.000 0.442 41 A N -0.343 122.509 122.820 0.052 0.000 1.940 41 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 41 A C 2.230 179.921 177.584 0.178 0.000 1.176 41 A CA 2.424 54.503 52.037 0.071 0.000 0.631 41 A CB -0.967 18.041 19.000 0.012 0.000 0.814 41 A HN 0.787 nan 8.150 nan 0.000 0.446 42 T N -4.862 109.845 114.554 0.255 0.000 3.054 42 T HA 0.418 4.768 4.350 -0.000 0.000 0.255 42 T C 1.247 176.065 174.700 0.197 0.000 1.035 42 T CA 0.947 63.233 62.100 0.309 0.000 0.941 42 T CB 0.031 69.205 68.868 0.510 0.000 1.026 42 T HN 1.641 nan 8.240 nan 0.000 0.533 43 G N 3.032 111.933 108.800 0.169 0.000 2.341 43 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.292 43 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.292 43 G C -0.039 174.926 174.900 0.108 0.000 1.021 43 G CA 0.454 45.623 45.100 0.116 0.000 0.905 43 G HN 1.059 nan 8.290 nan 0.000 0.508 44 R N -1.398 119.212 120.500 0.184 0.000 2.643 44 R HA 0.673 5.013 4.340 -0.000 0.000 0.269 44 R C -3.248 173.272 176.300 0.367 0.000 1.037 44 R CA -2.111 54.094 56.100 0.175 0.000 0.894 44 R CB 1.791 32.089 30.300 -0.003 0.000 1.238 44 R HN 0.041 nan 8.270 nan 0.000 0.459 45 P HA 0.099 nan 4.420 nan 0.000 0.271 45 P C -1.089 176.590 177.300 0.632 0.000 1.216 45 P CA -0.156 63.192 63.100 0.413 0.000 0.776 45 P CB 0.447 32.310 31.700 0.271 0.000 0.881 46 W N 0.343 121.823 121.300 0.300 0.000 2.485 46 W HA 0.313 4.972 4.660 -0.000 0.000 0.364 46 W C 0.441 177.053 176.519 0.154 0.000 1.171 46 W CA -0.417 57.093 57.345 0.275 0.000 1.304 46 W CB -0.052 29.549 29.460 0.233 0.000 1.335 46 W HN 0.133 nan 8.180 nan 0.000 0.643 47 T N 3.128 117.838 114.554 0.259 0.000 2.902 47 T HA 0.020 4.370 4.350 -0.000 0.000 0.301 47 T C -0.112 174.806 174.700 0.362 0.000 1.012 47 T CA -0.133 62.077 62.100 0.184 0.000 1.151 47 T CB 0.101 68.969 68.868 0.000 0.000 0.946 47 T HN 0.054 nan 8.240 nan 0.000 0.542 48 E N 3.101 123.459 120.200 0.264 0.000 2.180 48 E HA 0.092 4.442 4.350 -0.000 0.000 0.283 48 E C -0.165 176.636 176.600 0.334 0.000 1.061 48 E CA -0.241 56.318 56.400 0.265 0.000 0.861 48 E CB 0.575 30.366 29.700 0.152 0.000 1.056 48 E HN 0.522 nan 8.360 nan 0.000 0.407 49 W N 1.190 122.487 121.300 -0.006 0.000 1.833 49 W HA 0.045 4.705 4.660 -0.000 0.000 0.390 49 W C 2.014 178.498 176.519 -0.059 0.000 1.680 49 W CA -0.465 56.861 57.345 -0.032 0.000 1.828 49 W CB -0.728 28.717 29.460 -0.024 0.000 1.357 49 W HN 0.427 nan 8.180 nan 0.000 0.720 50 T N -3.233 111.430 114.554 0.181 0.000 3.055 50 T HA 0.010 4.360 4.350 -0.000 0.000 0.265 50 T C 0.588 175.271 174.700 -0.028 0.000 1.111 50 T CA 0.655 62.780 62.100 0.041 0.000 1.118 50 T CB -0.536 68.343 68.868 0.019 0.000 0.909 50 T HN 0.182 nan 8.240 nan 0.000 0.501 51 T N 2.646 117.233 114.554 0.055 0.000 2.799 51 T HA 0.283 4.633 4.350 -0.000 0.000 0.286 51 T C -0.260 174.387 174.700 -0.087 0.000 0.973 51 T CA -0.621 61.463 62.100 -0.025 0.000 1.035 51 T CB 0.600 69.515 68.868 0.079 0.000 0.932 51 T HN 0.333 nan 8.240 nan 0.000 0.469 52 H N 2.393 121.467 119.070 0.007 0.000 3.038 52 H HA -0.012 4.544 4.556 -0.000 0.000 0.338 52 H C 0.265 175.542 175.328 -0.084 0.000 1.041 52 H CA 0.178 56.211 56.048 -0.026 0.000 1.394 52 H CB 0.442 30.192 29.762 -0.021 0.000 1.357 52 H HN 0.570 nan 8.280 nan 0.000 0.600 53 D N 1.132 121.544 120.400 0.020 0.000 2.583 53 D HA 0.012 4.651 4.640 -0.000 0.000 0.232 53 D C 1.527 177.777 176.300 -0.084 0.000 1.128 53 D CA 1.624 55.561 54.000 -0.104 0.000 0.859 53 D CB 0.393 41.145 40.800 -0.081 0.000 1.169 53 D HN 0.839 nan 8.370 nan 0.000 0.481 54 G N 2.178 110.893 108.800 -0.142 0.000 2.184 54 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.264 54 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.264 54 G C 0.310 175.180 174.900 -0.049 0.000 0.975 54 G CA 0.337 45.382 45.100 -0.092 0.000 0.642 54 G HN 0.564 nan 8.290 nan 0.000 0.536 55 E N -0.695 119.485 120.200 -0.033 0.000 2.254 55 E HA 0.604 4.954 4.350 -0.000 0.000 0.261 55 E C -0.211 176.397 176.600 0.014 0.000 1.051 55 E CA -1.109 55.296 56.400 0.008 0.000 0.902 55 E CB 1.570 31.301 29.700 0.052 0.000 1.168 55 E HN 0.161 nan 8.360 nan 0.000 0.423 56 L N 1.815 123.066 121.223 0.047 0.000 2.360 56 L HA 0.097 4.437 4.340 -0.000 0.000 0.276 56 L C 0.206 177.147 176.870 0.117 0.000 1.121 56 L CA 0.218 55.108 54.840 0.083 0.000 0.845 56 L CB 0.605 42.727 42.059 0.106 0.000 1.143 56 L HN 0.574 nan 8.230 nan 0.000 0.452 57 T N 1.466 116.111 114.554 0.153 0.000 2.899 57 T HA 0.337 4.687 4.350 -0.000 0.000 0.295 57 T C 1.369 176.187 174.700 0.197 0.000 1.033 57 T CA -0.199 62.015 62.100 0.190 0.000 1.084 57 T CB 1.146 70.189 68.868 0.293 0.000 0.979 57 T HN 0.733 nan 8.240 nan 0.000 0.532 58 G N 0.215 109.106 108.800 0.152 0.000 2.476 58 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.218 58 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.218 58 G C 1.278 176.285 174.900 0.178 0.000 1.164 58 G CA 1.334 46.509 45.100 0.124 0.000 0.768 58 G HN 1.055 nan 8.290 nan 0.000 0.560 59 H N 0.496 119.619 119.070 0.088 0.000 2.319 59 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 59 H C 2.731 178.117 175.328 0.097 0.000 1.097 59 H CA 2.190 58.280 56.048 0.070 0.000 1.285 59 H CB -0.486 29.300 29.762 0.039 0.000 1.368 59 H HN 0.274 nan 8.280 nan 0.000 0.495 60 G N -1.003 107.976 108.800 0.299 0.000 2.440 60 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 60 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 60 G C 1.556 176.530 174.900 0.124 0.000 1.154 60 G CA 0.942 46.168 45.100 0.211 0.000 0.767 60 G HN 0.519 nan 8.290 nan 0.000 0.552 61 Y N 1.862 122.183 120.300 0.035 0.000 2.114 61 Y HA -0.022 4.527 4.550 -0.000 0.000 0.284 61 Y C 3.039 178.923 175.900 -0.027 0.000 1.143 61 Y CA 1.525 59.627 58.100 0.004 0.000 1.135 61 Y CB -0.513 37.951 38.460 0.006 0.000 0.980 61 Y HN 0.252 nan 8.280 nan 0.000 0.499 62 A N 0.284 123.224 122.820 0.200 0.000 1.917 62 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 62 A C 2.416 179.967 177.584 -0.056 0.000 1.182 62 A CA 2.325 54.392 52.037 0.049 0.000 0.633 62 A CB -1.568 17.396 19.000 -0.060 0.000 0.819 62 A HN 0.606 nan 8.150 nan 0.000 0.448 63 A N -0.762 121.999 122.820 -0.098 0.000 1.858 63 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 63 A C 2.234 179.779 177.584 -0.066 0.000 1.190 63 A CA 1.847 53.831 52.037 -0.087 0.000 0.617 63 A CB -1.010 17.968 19.000 -0.037 0.000 0.827 63 A HN 0.452 nan 8.150 nan 0.000 0.443 64 V N -0.291 119.573 119.914 -0.085 0.000 2.407 64 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 64 V C 2.565 178.577 176.094 -0.137 0.000 1.055 64 V CA 1.807 64.034 62.300 -0.121 0.000 1.049 64 V CB -0.659 31.053 31.823 -0.185 0.000 0.662 64 V HN 0.369 nan 8.190 nan 0.000 0.455 65 V N 0.684 120.504 119.914 -0.157 0.000 2.295 65 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 65 V C 2.367 178.428 176.094 -0.054 0.000 1.049 65 V CA 2.172 64.413 62.300 -0.097 0.000 1.024 65 V CB -0.883 30.932 31.823 -0.013 0.000 0.648 65 V HN 0.575 nan 8.190 nan 0.000 0.447 66 N N 0.268 118.937 118.700 -0.051 0.000 2.137 66 N HA -0.215 4.524 4.740 -0.000 0.000 0.190 66 N C 1.853 177.334 175.510 -0.049 0.000 1.017 66 N CA 1.579 54.601 53.050 -0.047 0.000 0.859 66 N CB -0.375 38.079 38.487 -0.054 0.000 1.002 66 N HN 0.487 nan 8.380 nan 0.000 0.428 67 K N 0.752 121.121 120.400 -0.051 0.000 2.062 67 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 67 K C 1.987 178.567 176.600 -0.033 0.000 1.051 67 K CA 1.217 57.475 56.287 -0.048 0.000 0.941 67 K CB -0.453 32.021 32.500 -0.044 0.000 0.719 67 K HN 0.151 nan 8.250 nan 0.000 0.440 68 G N 1.716 110.505 108.800 -0.018 0.000 2.446 68 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.217 68 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.217 68 G C 1.674 176.559 174.900 -0.025 0.000 1.168 68 G CA 0.945 46.056 45.100 0.018 0.000 0.771 68 G HN 0.374 nan 8.290 nan 0.000 0.551 69 R N 0.467 120.941 120.500 -0.044 0.000 2.112 69 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 69 R C 2.488 178.750 176.300 -0.064 0.000 1.137 69 R CA 2.237 58.304 56.100 -0.054 0.000 0.944 69 R CB -0.328 29.950 30.300 -0.037 0.000 0.857 69 R HN 0.436 nan 8.270 nan 0.000 0.435 70 E N 0.535 120.696 120.200 -0.065 0.000 2.047 70 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 70 E C 1.777 178.309 176.600 -0.114 0.000 0.987 70 E CA 1.886 58.236 56.400 -0.083 0.000 0.799 70 E CB -0.213 29.431 29.700 -0.094 0.000 0.752 70 E HN 0.456 nan 8.360 nan 0.000 0.449 71 E N -0.695 119.428 120.200 -0.127 0.000 2.085 71 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 71 E C 1.971 178.444 176.600 -0.212 0.000 0.994 71 E CA 1.194 57.466 56.400 -0.213 0.000 0.801 71 E CB -0.503 29.142 29.700 -0.092 0.000 0.743 71 E HN 0.449 nan 8.360 nan 0.000 0.453 72 G N 0.275 109.007 108.800 -0.112 0.000 2.408 72 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 72 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 72 G C 1.395 176.244 174.900 -0.086 0.000 1.150 72 G CA 0.659 45.676 45.100 -0.139 0.000 0.776 72 G HN 0.265 nan 8.290 nan 0.000 0.542 73 Q N -0.744 119.011 119.800 -0.075 0.000 2.079 73 Q HA -0.117 4.222 4.340 -0.000 0.000 0.200 73 Q C 2.276 178.258 176.000 -0.030 0.000 0.974 73 Q CA 1.425 57.207 55.803 -0.036 0.000 0.840 73 Q CB -0.257 28.465 28.738 -0.027 0.000 0.898 73 Q HN 0.696 nan 8.270 nan 0.000 0.430 74 H N -0.286 118.667 119.070 -0.195 0.000 2.290 74 H HA -0.192 4.363 4.556 -0.000 0.000 0.298 74 H C 1.279 176.495 175.328 -0.188 0.000 1.087 74 H CA 1.872 57.766 56.048 -0.256 0.000 1.291 74 H CB -0.170 29.318 29.762 -0.456 0.000 1.369 74 H HN 0.242 nan 8.280 nan 0.000 0.492 75 Y N 0.204 120.374 120.300 -0.217 0.000 2.509 75 Y HA 0.068 4.617 4.550 -0.000 0.000 0.293 75 Y C 2.586 178.395 175.900 -0.151 0.000 1.133 75 Y CA 0.640 58.572 58.100 -0.281 0.000 1.283 75 Y CB -0.142 38.126 38.460 -0.320 0.000 1.001 75 Y HN 0.190 nan 8.280 nan 0.000 0.555 76 R N -0.213 120.316 120.500 0.048 0.000 2.093 76 R HA -0.137 4.203 4.340 -0.000 0.000 0.224 76 R C 2.316 178.625 176.300 0.016 0.000 1.101 76 R CA 1.041 57.172 56.100 0.051 0.000 0.979 76 R CB -0.200 30.136 30.300 0.060 0.000 0.877 76 R HN 0.378 nan 8.270 nan 0.000 0.441 77 Q N 1.144 120.932 119.800 -0.020 0.000 2.084 77 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 77 Q C 1.744 177.735 176.000 -0.016 0.000 0.978 77 Q CA 1.349 57.142 55.803 -0.016 0.000 0.844 77 Q CB 0.037 28.764 28.738 -0.018 0.000 0.898 77 Q HN 0.364 nan 8.270 nan 0.000 0.426 78 L N -0.359 120.827 121.223 -0.062 0.000 2.552 78 L HA 0.092 4.432 4.340 -0.000 0.000 0.227 78 L C 1.370 178.242 176.870 0.004 0.000 1.146 78 L CA 0.583 55.415 54.840 -0.014 0.000 0.858 78 L CB -0.194 41.830 42.059 -0.057 0.000 0.969 78 L HN 0.577 nan 8.230 nan 0.000 0.451 79 G N 0.180 108.982 108.800 0.004 0.000 2.159 79 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.256 79 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.256 79 G C 0.755 175.649 174.900 -0.010 0.000 0.977 79 G CA 0.537 45.643 45.100 0.010 0.000 0.652 79 G HN 0.297 nan 8.290 nan 0.000 0.531 80 L N -0.223 120.977 121.223 -0.039 0.000 2.027 80 L HA 0.412 4.752 4.340 -0.000 0.000 0.206 80 L C 1.414 178.290 176.870 0.009 0.000 1.074 80 L CA 1.723 56.517 54.840 -0.077 0.000 0.745 80 L CB -0.085 41.850 42.059 -0.206 0.000 0.898 80 L HN 0.375 nan 8.230 nan 0.000 0.433 81 L N 0.168 121.438 121.223 0.078 0.000 2.334 81 L HA 0.344 4.683 4.340 -0.000 0.000 0.275 81 L C 0.041 176.988 176.870 0.128 0.000 1.036 81 L CA -0.892 54.045 54.840 0.162 0.000 0.807 81 L CB 1.258 43.501 42.059 0.305 0.000 1.231 81 L HN 0.095 nan 8.230 nan 0.000 0.438 82 Q N 1.162 121.038 119.800 0.125 0.000 2.316 82 Q HA 0.461 4.801 4.340 -0.000 0.000 0.215 82 Q C -0.010 176.064 176.000 0.123 0.000 1.020 82 Q CA -0.527 55.334 55.803 0.097 0.000 0.970 82 Q CB 1.088 29.868 28.738 0.070 0.000 1.187 82 Q HN 0.718 nan 8.270 nan 0.000 0.546 83 A N -0.048 122.828 122.820 0.094 0.000 2.429 83 A HA 0.461 4.781 4.320 -0.000 0.000 0.242 83 A C 0.894 178.548 177.584 0.116 0.000 1.088 83 A CA 0.787 52.883 52.037 0.099 0.000 0.784 83 A CB -0.710 18.331 19.000 0.069 0.000 1.038 83 A HN 0.873 nan 8.150 nan 0.000 0.501 84 G N -0.982 107.895 108.800 0.128 0.000 2.552 84 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.265 84 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.265 84 G C 0.295 175.299 174.900 0.173 0.000 1.234 84 G CA -0.048 45.129 45.100 0.129 0.000 0.944 84 G HN 1.626 nan 8.290 nan 0.000 0.568 85 c N 3.381 122.039 118.600 0.097 0.000 2.536 85 c HA 0.614 5.184 4.570 -0.000 0.000 0.396 85 c C -0.955 173.093 174.090 -0.070 0.000 1.279 85 c CA -0.391 55.955 56.329 0.030 0.000 2.148 85 c CB 0.616 43.128 42.510 0.003 0.000 2.584 85 c HN 0.749 nan 8.230 nan 0.000 0.579 86 P HA 0.265 nan 4.420 nan 0.000 0.275 86 P C 0.015 177.209 177.300 -0.177 0.000 1.228 86 P CA 0.171 63.087 63.100 -0.307 0.000 0.786 86 P CB 0.596 31.849 31.700 -0.745 0.000 0.927 87 T N -2.038 112.458 114.554 -0.097 0.000 2.852 87 T HA 0.482 4.832 4.350 -0.000 0.000 0.281 87 T C 1.361 176.032 174.700 -0.048 0.000 0.993 87 T CA -0.095 61.971 62.100 -0.056 0.000 0.933 87 T CB 0.229 69.082 68.868 -0.025 0.000 1.187 87 T HN 0.305 nan 8.240 nan 0.000 0.559 88 A N -0.551 122.259 122.820 -0.016 0.000 2.168 88 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 88 A C 2.099 179.691 177.584 0.013 0.000 1.152 88 A CA 1.090 53.136 52.037 0.015 0.000 0.716 88 A CB -0.845 18.167 19.000 0.020 0.000 0.794 88 A HN 0.891 nan 8.150 nan 0.000 0.465 89 E N 0.202 120.401 120.200 -0.002 0.000 2.442 89 E HA -0.012 4.337 4.350 -0.000 0.000 0.195 89 E C 1.381 177.993 176.600 0.020 0.000 1.030 89 E CA 0.920 57.322 56.400 0.002 0.000 0.869 89 E CB 0.090 29.787 29.700 -0.005 0.000 0.857 89 E HN 0.558 nan 8.360 nan 0.000 0.505 90 S N 0.317 116.025 115.700 0.015 0.000 2.356 90 S HA 0.150 4.620 4.470 -0.000 0.000 0.219 90 S C 1.241 175.899 174.600 0.097 0.000 1.036 90 S CA 0.386 58.618 58.200 0.052 0.000 0.965 90 S CB 0.591 63.800 63.200 0.014 0.000 0.864 90 S HN 0.285 nan 8.310 nan 0.000 0.471 91 I N -0.265 120.312 120.570 0.012 0.000 2.865 91 I HA 0.523 4.693 4.170 -0.000 0.000 0.302 91 I C -2.142 173.986 176.117 0.018 0.000 1.140 91 I CA -1.215 60.069 61.300 -0.026 0.000 1.021 91 I CB 2.364 40.241 38.000 -0.205 0.000 1.233 91 I HN 0.195 nan 8.210 nan 0.000 0.427 92 Y N 6.333 126.561 120.300 -0.120 0.000 2.354 92 Y HA 0.618 5.168 4.550 -0.000 0.000 0.330 92 Y C -1.605 174.251 175.900 -0.072 0.000 1.011 92 Y CA -0.646 57.414 58.100 -0.067 0.000 1.099 92 Y CB 1.590 40.011 38.460 -0.065 0.000 1.179 92 Y HN 0.219 nan 8.280 nan 0.000 0.442 93 V N 7.092 126.719 119.914 -0.477 0.000 2.398 93 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 93 V C -0.451 175.440 176.094 -0.338 0.000 1.026 93 V CA -0.792 61.309 62.300 -0.332 0.000 0.868 93 V CB 1.392 33.054 31.823 -0.268 0.000 0.982 93 V HN 0.717 nan 8.190 nan 0.000 0.443 94 R N 3.614 124.057 120.500 -0.095 0.000 2.409 94 R HA 0.756 5.096 4.340 -0.000 0.000 0.313 94 R C -0.609 175.783 176.300 0.154 0.000 0.953 94 R CA -0.230 55.922 56.100 0.086 0.000 0.849 94 R CB 1.408 31.858 30.300 0.249 0.000 1.171 94 R HN 0.858 nan 8.270 nan 0.000 0.458 95 A N 3.163 126.062 122.820 0.131 0.000 2.330 95 A HA 0.396 4.716 4.320 -0.000 0.000 0.327 95 A C -0.310 177.304 177.584 0.051 0.000 1.155 95 A CA -0.587 51.444 52.037 -0.009 0.000 0.803 95 A CB 1.629 20.595 19.000 -0.058 0.000 1.208 95 A HN 0.763 nan 8.150 nan 0.000 0.477 96 S N 2.856 118.387 115.700 -0.282 0.000 2.573 96 S HA 0.088 4.558 4.470 -0.000 0.000 0.297 96 S C -0.965 173.656 174.600 0.035 0.000 1.280 96 S CA -0.130 58.012 58.200 -0.097 0.000 1.061 96 S CB 0.411 63.395 63.200 -0.360 0.000 0.812 96 S HN 0.549 nan 8.310 nan 0.000 0.500 97 P HA 0.032 nan 4.420 nan 0.000 0.237 97 P C 0.084 177.365 177.300 -0.032 0.000 1.178 97 P CA 0.160 63.318 63.100 0.096 0.000 0.766 97 P CB -0.051 31.786 31.700 0.228 0.000 0.876 98 L N 0.807 122.042 121.223 0.020 0.000 2.483 98 L HA 0.027 4.367 4.340 -0.000 0.000 0.275 98 L C 2.378 179.206 176.870 -0.069 0.000 1.220 98 L CA 0.651 55.493 54.840 0.003 0.000 0.833 98 L CB -0.411 41.702 42.059 0.089 0.000 1.102 98 L HN -0.096 nan 8.230 nan 0.000 0.490 99 Q N 2.818 122.579 119.800 -0.065 0.000 2.045 99 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 99 Q C 2.023 177.989 176.000 -0.058 0.000 0.991 99 Q CA 2.407 58.163 55.803 -0.079 0.000 0.851 99 Q CB -0.053 28.659 28.738 -0.043 0.000 0.911 99 Q HN 0.742 nan 8.270 nan 0.000 0.418 100 R N -0.242 120.244 120.500 -0.024 0.000 2.152 100 R HA -0.072 4.267 4.340 -0.000 0.000 0.232 100 R C 2.018 178.285 176.300 -0.055 0.000 1.117 100 R CA 1.840 57.932 56.100 -0.013 0.000 0.981 100 R CB -0.752 29.554 30.300 0.010 0.000 0.870 100 R HN 0.285 nan 8.270 nan 0.000 0.451 101 T N -1.442 113.054 114.554 -0.098 0.000 3.009 101 T HA 0.136 4.486 4.350 -0.000 0.000 0.258 101 T C 1.902 176.502 174.700 -0.166 0.000 1.063 101 T CA 0.172 62.161 62.100 -0.184 0.000 1.139 101 T CB -0.062 68.611 68.868 -0.325 0.000 0.890 101 T HN 0.223 nan 8.240 nan 0.000 0.471 102 R N 1.479 121.879 120.500 -0.166 0.000 2.073 102 R HA 0.119 4.459 4.340 -0.000 0.000 0.234 102 R C 2.960 179.196 176.300 -0.106 0.000 1.134 102 R CA 1.409 57.399 56.100 -0.183 0.000 0.952 102 R CB -0.726 29.377 30.300 -0.328 0.000 0.850 102 R HN 0.493 nan 8.270 nan 0.000 0.433 103 A N 0.520 123.304 122.820 -0.059 0.000 1.933 103 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 103 A C 2.204 179.777 177.584 -0.019 0.000 1.175 103 A CA 1.835 53.899 52.037 0.044 0.000 0.628 103 A CB -0.743 18.318 19.000 0.103 0.000 0.814 103 A HN 0.271 nan 8.150 nan 0.000 0.444 104 T N 0.323 114.827 114.554 -0.084 0.000 2.746 104 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 104 T C 2.236 176.834 174.700 -0.170 0.000 1.039 104 T CA 1.611 63.619 62.100 -0.154 0.000 1.142 104 T CB -0.456 68.341 68.868 -0.118 0.000 0.866 104 T HN 0.599 nan 8.240 nan 0.000 0.444 105 A N 1.327 124.066 122.820 -0.135 0.000 1.902 105 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 105 A C 2.279 179.795 177.584 -0.114 0.000 1.181 105 A CA 1.667 53.630 52.037 -0.124 0.000 0.623 105 A CB -0.723 18.208 19.000 -0.115 0.000 0.818 105 A HN 0.539 nan 8.150 nan 0.000 0.443 106 Q N -0.782 118.968 119.800 -0.083 0.000 2.135 106 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 106 Q C 2.429 178.381 176.000 -0.080 0.000 0.981 106 Q CA 1.377 57.167 55.803 -0.022 0.000 0.856 106 Q CB -0.390 28.398 28.738 0.082 0.000 0.902 106 Q HN 0.711 nan 8.270 nan 0.000 0.425 107 A N 0.787 123.396 122.820 -0.352 0.000 1.877 107 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 107 A C 2.056 179.456 177.584 -0.307 0.000 1.186 107 A CA 1.115 52.705 52.037 -0.745 0.000 0.620 107 A CB -0.732 17.564 19.000 -1.173 0.000 0.822 107 A HN 0.292 nan 8.150 nan 0.000 0.443 108 L N -0.022 121.086 121.223 -0.192 0.000 2.012 108 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 108 L C 2.670 179.535 176.870 -0.009 0.000 1.073 108 L CA 1.796 56.594 54.840 -0.070 0.000 0.748 108 L CB -0.636 41.406 42.059 -0.027 0.000 0.891 108 L HN 0.476 nan 8.230 nan 0.000 0.431 109 V N -3.977 115.943 119.914 0.010 0.000 2.809 109 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 109 V C 1.990 178.191 176.094 0.178 0.000 1.080 109 V CA 1.728 64.127 62.300 0.166 0.000 1.102 109 V CB -0.449 31.452 31.823 0.130 0.000 0.705 109 V HN 0.343 nan 8.190 nan 0.000 0.475 110 D N 1.751 122.201 120.400 0.084 0.000 2.117 110 D HA -0.017 4.622 4.640 -0.000 0.000 0.198 110 D C 2.158 178.502 176.300 0.073 0.000 0.982 110 D CA 1.906 55.969 54.000 0.104 0.000 0.828 110 D CB -0.438 40.449 40.800 0.145 0.000 0.967 110 D HN 0.488 nan 8.370 nan 0.000 0.464 111 G N 0.074 108.885 108.800 0.019 0.000 2.394 111 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 111 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 111 G C 1.663 176.527 174.900 -0.060 0.000 1.176 111 G CA 0.974 46.067 45.100 -0.011 0.000 0.786 111 G HN 0.383 nan 8.290 nan 0.000 0.533 112 A N -0.295 122.452 122.820 -0.123 0.000 2.014 112 A HA 0.375 4.695 4.320 -0.000 0.000 0.218 112 A C 0.459 177.579 177.584 -0.773 0.000 1.163 112 A CA 0.490 52.270 52.037 -0.427 0.000 0.652 112 A CB -0.168 18.566 19.000 -0.443 0.000 0.808 112 A HN 0.287 nan 8.150 nan 0.000 0.449 113 F N -0.590 119.414 119.950 0.090 0.000 2.769 113 F HA 0.337 4.864 4.527 -0.000 0.000 0.358 113 F C -2.805 173.025 175.800 0.051 0.000 1.285 113 F CA -2.980 55.063 58.000 0.072 0.000 1.199 113 F CB 0.813 39.849 39.000 0.059 0.000 1.558 113 F HN -0.122 nan 8.300 nan 0.000 0.583 114 P HA 0.092 nan 4.420 nan 0.000 0.258 114 P C 1.018 178.382 177.300 0.106 0.000 1.172 114 P CA 1.274 64.434 63.100 0.100 0.000 0.762 114 P CB 0.485 32.225 31.700 0.066 0.000 0.764 115 G N 2.459 111.314 108.800 0.091 0.000 2.155 115 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 115 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 115 G C 0.915 175.857 174.900 0.070 0.000 0.983 115 G CA 0.160 45.303 45.100 0.070 0.000 0.676 115 G HN 0.564 nan 8.290 nan 0.000 0.528 116 c N 0.793 119.449 118.600 0.094 0.000 2.626 116 c HA 0.504 5.074 4.570 -0.000 0.000 0.266 116 c C 2.275 176.383 174.090 0.031 0.000 1.317 116 c CA 0.507 56.877 56.329 0.069 0.000 1.716 116 c CB -1.077 41.491 42.510 0.097 0.000 1.819 116 c HN 1.983 nan 8.230 nan 0.000 0.578 117 G N 1.651 110.473 108.800 0.037 0.000 2.356 117 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.296 117 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.296 117 G C 0.001 174.893 174.900 -0.013 0.000 1.022 117 G CA 0.379 45.488 45.100 0.015 0.000 0.961 117 G HN 0.455 nan 8.290 nan 0.000 0.510 118 V N 0.549 120.454 119.914 -0.015 0.000 2.439 118 V HA 0.526 4.645 4.120 -0.000 0.000 0.271 118 V C 1.121 177.160 176.094 -0.091 0.000 1.040 118 V CA -0.111 62.145 62.300 -0.073 0.000 1.002 118 V CB 0.701 32.468 31.823 -0.093 0.000 1.000 118 V HN 1.024 nan 8.190 nan 0.000 0.477 119 A N 6.371 129.110 122.820 -0.135 0.000 2.388 119 A HA 0.695 5.015 4.320 -0.000 0.000 0.257 119 A C -0.203 177.171 177.584 -0.349 0.000 1.095 119 A CA -0.368 51.542 52.037 -0.212 0.000 0.791 119 A CB 0.205 19.061 19.000 -0.240 0.000 1.029 119 A HN 0.961 nan 8.150 nan 0.000 0.489 120 I N -0.662 119.713 120.570 -0.324 0.000 2.793 120 I HA 0.612 4.782 4.170 -0.000 0.000 0.313 120 I C -0.136 175.691 176.117 -0.484 0.000 0.998 120 I CA -0.387 60.711 61.300 -0.338 0.000 1.140 120 I CB 1.153 39.067 38.000 -0.143 0.000 1.327 120 I HN 0.594 nan 8.210 nan 0.000 0.491 121 H N 2.416 121.425 119.070 -0.102 0.000 2.622 121 H HA 0.583 5.139 4.556 -0.000 0.000 0.363 121 H C -1.484 173.915 175.328 0.119 0.000 1.151 121 H CA -0.284 55.725 56.048 -0.065 0.000 1.184 121 H CB 1.868 31.509 29.762 -0.202 0.000 1.643 121 H HN 0.790 nan 8.280 nan 0.000 0.531 122 Y N -1.380 118.989 120.300 0.116 0.000 2.581 122 Y HA 0.618 5.168 4.550 -0.000 0.000 0.337 122 Y C -0.724 175.249 175.900 0.121 0.000 1.108 122 Y CA -1.479 56.690 58.100 0.114 0.000 1.033 122 Y CB 0.427 38.927 38.460 0.066 0.000 1.318 122 Y HN 0.734 nan 8.280 nan 0.000 0.459 123 A N 2.351 125.303 122.820 0.220 0.000 2.531 123 A HA 0.114 4.434 4.320 -0.000 0.000 0.236 123 A C 0.619 178.270 177.584 0.111 0.000 1.062 123 A CA 0.060 52.179 52.037 0.136 0.000 0.760 123 A CB -0.041 19.077 19.000 0.196 0.000 0.995 123 A HN 0.898 nan 8.150 nan 0.000 0.501 124 N N 1.802 120.520 118.700 0.029 0.000 2.396 124 N HA -0.073 4.667 4.740 -0.000 0.000 0.180 124 N C 1.081 176.653 175.510 0.102 0.000 1.028 124 N CA 1.139 54.208 53.050 0.032 0.000 0.893 124 N CB 0.018 38.503 38.487 -0.003 0.000 0.967 124 N HN 0.742 nan 8.380 nan 0.000 0.440 125 G N 0.570 109.439 108.800 0.115 0.000 2.543 125 G HA2 0.090 4.050 3.960 -0.000 0.000 0.267 125 G HA3 0.090 4.050 3.960 -0.000 0.000 0.267 125 G C 0.296 175.274 174.900 0.130 0.000 1.406 125 G CA -0.264 44.900 45.100 0.107 0.000 1.048 125 G HN -0.018 nan 8.290 nan 0.000 0.548 126 D N -0.112 120.344 120.400 0.094 0.000 2.333 126 D HA 0.184 4.824 4.640 -0.000 0.000 0.208 126 D C 1.000 177.373 176.300 0.121 0.000 0.984 126 D CA 0.706 54.759 54.000 0.088 0.000 0.873 126 D CB 0.435 41.257 40.800 0.037 0.000 0.935 126 D HN 0.365 nan 8.370 nan 0.000 0.521 127 A N 1.024 123.934 122.820 0.150 0.000 2.311 127 A HA 0.311 4.630 4.320 -0.000 0.000 0.306 127 A C -1.009 176.814 177.584 0.400 0.000 1.189 127 A CA -0.697 51.483 52.037 0.238 0.000 0.791 127 A CB 1.623 20.647 19.000 0.041 0.000 1.172 127 A HN -0.175 nan 8.150 nan 0.000 0.481 128 D N 4.262 124.898 120.400 0.392 0.000 2.233 128 D HA 0.365 5.005 4.640 -0.000 0.000 0.240 128 D C -1.810 174.550 176.300 0.099 0.000 1.074 128 D CA -1.887 52.271 54.000 0.263 0.000 0.838 128 D CB 2.070 43.077 40.800 0.345 0.000 1.124 128 D HN 0.214 nan 8.370 nan 0.000 0.475 129 P HA -0.030 nan 4.420 nan 0.000 0.230 129 P C 1.556 178.576 177.300 -0.468 0.000 1.158 129 P CA 0.430 63.024 63.100 -0.843 0.000 0.769 129 P CB 0.483 31.444 31.700 -1.232 0.000 0.807 130 L N -2.817 118.095 121.223 -0.518 0.000 2.313 130 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 130 L C 1.844 178.398 176.870 -0.527 0.000 1.119 130 L CA 1.150 55.591 54.840 -0.665 0.000 0.809 130 L CB -0.435 40.965 42.059 -1.098 0.000 0.933 130 L HN -0.090 nan 8.230 nan 0.000 0.449 131 F N -1.762 118.229 119.950 0.069 0.000 2.463 131 F HA 0.144 4.670 4.527 -0.000 0.000 0.271 131 F C 1.166 177.056 175.800 0.149 0.000 0.888 131 F CA -0.528 57.548 58.000 0.127 0.000 1.149 131 F CB -0.286 38.814 39.000 0.167 0.000 1.071 131 F HN -0.242 nan 8.300 nan 0.000 0.802 132 Q N 1.435 121.463 119.800 0.380 0.000 3.170 132 Q HA 0.134 4.473 4.340 -0.000 0.000 0.346 132 Q C 1.287 177.473 176.000 0.311 0.000 1.333 132 Q CA 0.255 56.226 55.803 0.280 0.000 0.958 132 Q CB -0.332 28.558 28.738 0.252 0.000 1.600 132 Q HN 0.444 nan 8.270 nan 0.000 0.482 133 T N -3.382 111.312 114.554 0.233 0.000 3.035 133 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 133 T C 1.194 176.013 174.700 0.199 0.000 1.109 133 T CA 1.001 63.237 62.100 0.226 0.000 1.119 133 T CB 0.012 68.932 68.868 0.087 0.000 0.900 133 T HN 0.454 nan 8.240 nan 0.000 0.503 134 D N 1.069 121.538 120.400 0.115 0.000 2.371 134 D HA -0.070 4.569 4.640 -0.000 0.000 0.221 134 D C 1.466 177.771 176.300 0.008 0.000 0.986 134 D CA 0.411 54.441 54.000 0.050 0.000 0.899 134 D CB -0.186 40.622 40.800 0.012 0.000 0.902 134 D HN 0.261 nan 8.370 nan 0.000 0.530 135 K N -0.140 120.251 120.400 -0.015 0.000 2.417 135 K HA 0.160 4.479 4.320 -0.000 0.000 0.196 135 K C -0.411 175.844 176.600 -0.575 0.000 1.023 135 K CA -0.123 55.986 56.287 -0.296 0.000 1.122 135 K CB 0.150 32.394 32.500 -0.427 0.000 0.850 135 K HN 0.193 nan 8.250 nan 0.000 0.521 136 F N -0.625 119.321 119.950 -0.007 0.000 2.547 136 F HA 0.322 4.849 4.527 -0.000 0.000 0.316 136 F C 1.254 177.046 175.800 -0.013 0.000 1.121 136 F CA -0.907 57.086 58.000 -0.010 0.000 0.911 136 F CB 1.517 40.508 39.000 -0.016 0.000 1.179 136 F HN -0.182 nan 8.300 nan 0.000 0.443 137 A N 2.523 125.427 122.820 0.140 0.000 1.884 137 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 137 A C 2.257 179.884 177.584 0.071 0.000 1.197 137 A CA 2.448 54.530 52.037 0.075 0.000 0.637 137 A CB -1.141 17.892 19.000 0.055 0.000 0.827 137 A HN 0.916 nan 8.150 nan 0.000 0.450 138 A N -0.946 121.921 122.820 0.078 0.000 2.019 138 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 138 A C 1.993 179.591 177.584 0.024 0.000 1.164 138 A CA 2.154 54.215 52.037 0.039 0.000 0.644 138 A CB -0.915 18.096 19.000 0.019 0.000 0.805 138 A HN 0.925 nan 8.150 nan 0.000 0.449 139 T N -2.802 111.782 114.554 0.049 0.000 3.215 139 T HA 0.389 4.739 4.350 -0.000 0.000 0.271 139 T C 0.224 174.938 174.700 0.023 0.000 1.012 139 T CA -0.399 61.713 62.100 0.020 0.000 0.899 139 T CB -0.033 68.847 68.868 0.020 0.000 1.089 139 T HN 0.446 nan 8.240 nan 0.000 0.552 140 Q N 2.161 121.978 119.800 0.027 0.000 2.214 140 Q HA 0.499 4.838 4.340 -0.000 0.000 0.251 140 Q C 0.050 176.052 176.000 0.004 0.000 0.936 140 Q CA -0.721 55.094 55.803 0.019 0.000 0.894 140 Q CB 1.496 30.252 28.738 0.030 0.000 1.252 140 Q HN 0.548 nan 8.270 nan 0.000 0.448 141 T N -1.829 112.733 114.554 0.013 0.000 2.909 141 T HA 0.201 4.551 4.350 -0.000 0.000 0.289 141 T C -0.363 174.416 174.700 0.131 0.000 1.005 141 T CA -0.980 61.168 62.100 0.081 0.000 1.084 141 T CB 1.127 70.063 68.868 0.114 0.000 0.975 141 T HN 0.495 nan 8.240 nan 0.000 0.509 142 D N 2.733 123.263 120.400 0.216 0.000 2.295 142 D HA 0.325 4.965 4.640 -0.000 0.000 0.248 142 D C -1.479 174.872 176.300 0.085 0.000 1.154 142 D CA -2.209 51.864 54.000 0.121 0.000 0.857 142 D CB 1.216 42.075 40.800 0.099 0.000 1.117 142 D HN 0.144 nan 8.370 nan 0.000 0.468 143 P HA -0.289 nan 4.420 nan 0.000 0.219 143 P C 0.965 178.259 177.300 -0.009 0.000 1.161 143 P CA 2.398 65.508 63.100 0.018 0.000 0.909 143 P CB 0.064 31.768 31.700 0.006 0.000 0.793 144 A N -0.608 122.198 122.820 -0.023 0.000 1.883 144 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 144 A C 2.280 179.802 177.584 -0.103 0.000 1.186 144 A CA 1.709 53.716 52.037 -0.050 0.000 0.624 144 A CB -0.987 17.986 19.000 -0.045 0.000 0.822 144 A HN 0.026 nan 8.150 nan 0.000 0.444 145 R N -0.766 119.641 120.500 -0.155 0.000 2.081 145 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 145 R C 2.360 178.397 176.300 -0.439 0.000 1.131 145 R CA 1.710 57.577 56.100 -0.388 0.000 0.960 145 R CB -0.768 29.168 30.300 -0.608 0.000 0.856 145 R HN 0.739 nan 8.270 nan 0.000 0.436 146 Q N 1.200 120.903 119.800 -0.162 0.000 1.975 146 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 146 Q C 2.051 178.029 176.000 -0.037 0.000 0.990 146 Q CA 1.578 57.392 55.803 0.019 0.000 0.845 146 Q CB -0.646 28.161 28.738 0.115 0.000 0.913 146 Q HN 0.189 nan 8.270 nan 0.000 0.420 147 L N 0.273 121.472 121.223 -0.040 0.000 2.021 147 L HA -0.223 4.116 4.340 -0.000 0.000 0.215 147 L C 2.132 178.971 176.870 -0.051 0.000 1.074 147 L CA 2.648 57.466 54.840 -0.037 0.000 0.760 147 L CB -1.198 40.841 42.059 -0.033 0.000 0.889 147 L HN 0.345 nan 8.230 nan 0.000 0.433 148 A N -0.972 121.797 122.820 -0.085 0.000 1.898 148 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 148 A C 2.425 179.961 177.584 -0.080 0.000 1.181 148 A CA 1.723 53.709 52.037 -0.085 0.000 0.620 148 A CB -1.119 17.813 19.000 -0.114 0.000 0.819 148 A HN 0.590 nan 8.150 nan 0.000 0.442 149 A N -0.624 122.130 122.820 -0.109 0.000 1.898 149 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 149 A C 2.230 179.809 177.584 -0.008 0.000 1.181 149 A CA 1.681 53.684 52.037 -0.057 0.000 0.620 149 A CB -0.857 18.120 19.000 -0.039 0.000 0.819 149 A HN 0.341 nan 8.150 nan 0.000 0.442 150 V N 0.137 120.048 119.914 -0.005 0.000 2.295 150 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 150 V C 2.468 178.561 176.094 -0.002 0.000 1.049 150 V CA 2.343 64.642 62.300 -0.001 0.000 1.024 150 V CB -0.675 31.144 31.823 -0.007 0.000 0.648 150 V HN 0.535 nan 8.190 nan 0.000 0.447 151 K N -0.234 120.161 120.400 -0.008 0.000 2.044 151 K HA -0.294 4.026 4.320 -0.000 0.000 0.210 151 K C 2.258 178.859 176.600 0.002 0.000 1.049 151 K CA 2.211 58.497 56.287 -0.002 0.000 0.927 151 K CB -0.222 32.272 32.500 -0.009 0.000 0.713 151 K HN 0.584 nan 8.250 nan 0.000 0.443 152 E N 0.986 121.182 120.200 -0.006 0.000 2.106 152 E HA -0.223 4.126 4.350 -0.000 0.000 0.192 152 E C 1.989 178.594 176.600 0.007 0.000 0.984 152 E CA 1.290 57.688 56.400 -0.003 0.000 0.806 152 E CB 0.129 29.822 29.700 -0.012 0.000 0.750 152 E HN 0.130 nan 8.360 nan 0.000 0.458 153 K N -0.168 120.238 120.400 0.010 0.000 2.103 153 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 153 K C 1.963 178.577 176.600 0.023 0.000 1.052 153 K CA 0.936 57.232 56.287 0.016 0.000 0.945 153 K CB -0.076 32.434 32.500 0.016 0.000 0.722 153 K HN 0.155 nan 8.250 nan 0.000 0.443 154 A N 0.810 123.645 122.820 0.025 0.000 1.930 154 A HA 0.102 4.421 4.320 -0.000 0.000 0.217 154 A C 1.435 179.049 177.584 0.049 0.000 1.175 154 A CA 1.579 53.641 52.037 0.042 0.000 0.627 154 A CB -1.155 17.871 19.000 0.044 0.000 0.815 154 A HN 0.590 nan 8.150 nan 0.000 0.443 155 G N -0.380 108.441 108.800 0.035 0.000 2.574 155 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.286 155 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.286 155 G C -0.093 174.831 174.900 0.040 0.000 1.212 155 G CA 0.337 45.456 45.100 0.031 0.000 0.979 155 G HN 0.620 nan 8.290 nan 0.000 0.557 156 D N 1.344 121.765 120.400 0.036 0.000 2.359 156 D HA 0.330 4.970 4.640 -0.000 0.000 0.250 156 D C 1.807 178.141 176.300 0.055 0.000 1.264 156 D CA -0.017 54.004 54.000 0.035 0.000 0.911 156 D CB 0.434 41.245 40.800 0.018 0.000 1.056 156 D HN 0.361 nan 8.370 nan 0.000 0.499 157 L N 3.363 124.634 121.223 0.081 0.000 2.156 157 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 157 L C 2.482 179.381 176.870 0.048 0.000 1.095 157 L CA 0.839 55.767 54.840 0.148 0.000 0.770 157 L CB -0.174 42.019 42.059 0.224 0.000 0.914 157 L HN 0.441 nan 8.230 nan 0.000 0.439 158 A N -0.326 122.488 122.820 -0.011 0.000 1.917 158 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 158 A C 2.250 179.764 177.584 -0.116 0.000 1.182 158 A CA 2.160 54.142 52.037 -0.092 0.000 0.633 158 A CB -0.552 18.415 19.000 -0.056 0.000 0.819 158 A HN 0.494 nan 8.150 nan 0.000 0.448 159 Q N -1.052 118.716 119.800 -0.053 0.000 2.187 159 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 159 Q C 2.274 178.252 176.000 -0.037 0.000 0.957 159 Q CA 0.878 56.655 55.803 -0.043 0.000 0.857 159 Q CB -0.009 28.721 28.738 -0.012 0.000 0.929 159 Q HN 0.672 nan 8.270 nan 0.000 0.453 160 R N -0.193 120.308 120.500 0.001 0.000 2.075 160 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 160 R C 2.446 178.713 176.300 -0.054 0.000 1.126 160 R CA 1.420 57.560 56.100 0.066 0.000 0.963 160 R CB -0.191 30.245 30.300 0.226 0.000 0.858 160 R HN 0.155 nan 8.270 nan 0.000 0.435 161 R N 0.639 120.903 120.500 -0.394 0.000 2.073 161 R HA -0.217 4.123 4.340 -0.000 0.000 0.234 161 R C 2.282 178.322 176.300 -0.433 0.000 1.134 161 R CA 1.912 57.432 56.100 -0.966 0.000 0.952 161 R CB -0.107 29.335 30.300 -1.429 0.000 0.850 161 R HN 0.063 nan 8.270 nan 0.000 0.433 162 Q N 0.390 120.024 119.800 -0.276 0.000 2.096 162 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 162 Q C 1.791 177.740 176.000 -0.086 0.000 0.982 162 Q CA 2.367 58.080 55.803 -0.151 0.000 0.850 162 Q CB -0.375 28.299 28.738 -0.107 0.000 0.901 162 Q HN 0.453 nan 8.270 nan 0.000 0.422 163 A N -0.399 122.386 122.820 -0.059 0.000 1.972 163 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 163 A C 1.725 179.316 177.584 0.011 0.000 1.169 163 A CA 1.173 53.203 52.037 -0.012 0.000 0.635 163 A CB -0.395 18.612 19.000 0.010 0.000 0.810 163 A HN 0.429 nan 8.150 nan 0.000 0.446 164 L N -0.784 120.447 121.223 0.014 0.000 2.653 164 L HA 0.175 4.515 4.340 -0.000 0.000 0.231 164 L C 2.400 179.303 176.870 0.055 0.000 1.153 164 L CA 0.240 55.123 54.840 0.072 0.000 0.933 164 L CB -0.026 42.145 42.059 0.187 0.000 1.175 164 L HN 0.393 nan 8.230 nan 0.000 0.473 165 A N 1.072 123.892 122.820 0.000 0.000 1.908 165 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 165 A C -0.188 177.421 177.584 0.041 0.000 1.181 165 A CA 1.429 53.471 52.037 0.007 0.000 0.627 165 A CB -1.434 17.551 19.000 -0.025 0.000 0.818 165 A HN 0.266 nan 8.150 nan 0.000 0.445 166 P HA -0.124 nan 4.420 nan 0.000 0.215 166 P C 1.481 178.816 177.300 0.058 0.000 1.157 166 P CA 1.966 65.087 63.100 0.036 0.000 0.874 166 P CB -0.263 31.454 31.700 0.027 0.000 0.790 167 T N -0.673 113.929 114.554 0.080 0.000 2.812 167 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 167 T C 1.789 176.583 174.700 0.156 0.000 1.042 167 T CA 0.948 63.111 62.100 0.106 0.000 1.140 167 T CB -0.905 68.032 68.868 0.116 0.000 0.870 167 T HN 0.040 nan 8.240 nan 0.000 0.445 168 I N 1.199 121.884 120.570 0.191 0.000 2.194 168 I HA -0.250 3.920 4.170 -0.000 0.000 0.246 168 I C 2.802 179.065 176.117 0.245 0.000 1.093 168 I CA 1.300 62.776 61.300 0.293 0.000 1.355 168 I CB -0.334 37.840 38.000 0.290 0.000 1.046 168 I HN 0.185 nan 8.210 nan 0.000 0.413 169 Q N 1.149 121.023 119.800 0.123 0.000 2.079 169 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 169 Q C 2.119 178.131 176.000 0.020 0.000 0.974 169 Q CA 1.732 57.557 55.803 0.038 0.000 0.840 169 Q CB -0.428 28.321 28.738 0.018 0.000 0.898 169 Q HN 0.493 nan 8.270 nan 0.000 0.430 170 L N -0.217 121.037 121.223 0.052 0.000 2.127 170 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 170 L C 2.169 179.080 176.870 0.068 0.000 1.089 170 L CA 0.756 55.623 54.840 0.045 0.000 0.757 170 L CB -0.460 41.628 42.059 0.049 0.000 0.899 170 L HN 0.310 nan 8.230 nan 0.000 0.434 171 L N -0.212 121.091 121.223 0.133 0.000 2.095 171 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 171 L C 2.488 179.432 176.870 0.123 0.000 1.080 171 L CA 1.640 56.608 54.840 0.215 0.000 0.759 171 L CB -0.558 41.724 42.059 0.372 0.000 0.914 171 L HN 0.067 nan 8.230 nan 0.000 0.439 172 K N -0.640 119.685 120.400 -0.126 0.000 2.044 172 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 172 K C 2.068 178.494 176.600 -0.290 0.000 1.049 172 K CA 2.191 58.086 56.287 -0.654 0.000 0.927 172 K CB -0.143 31.860 32.500 -0.828 0.000 0.713 172 K HN 0.523 nan 8.250 nan 0.000 0.443 173 Q N -0.458 119.253 119.800 -0.149 0.000 2.135 173 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 173 Q C 2.064 178.042 176.000 -0.036 0.000 0.981 173 Q CA 1.557 57.309 55.803 -0.085 0.000 0.856 173 Q CB -0.141 28.570 28.738 -0.045 0.000 0.902 173 Q HN 0.408 nan 8.270 nan 0.000 0.425 174 A N 0.483 123.313 122.820 0.018 0.000 1.873 174 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 174 A C 2.178 179.830 177.584 0.113 0.000 1.186 174 A CA 1.771 53.859 52.037 0.084 0.000 0.616 174 A CB -0.431 18.645 19.000 0.126 0.000 0.823 174 A HN 0.329 nan 8.150 nan 0.000 0.442 175 V N -4.101 115.872 119.914 0.098 0.000 3.523 175 V HA 0.202 4.321 4.120 -0.000 0.000 0.255 175 V C 0.808 176.825 176.094 -0.128 0.000 1.226 175 V CA -0.217 62.145 62.300 0.103 0.000 1.092 175 V CB -1.059 31.009 31.823 0.408 0.000 0.817 175 V HN 0.394 nan 8.190 nan 0.000 0.458 176 c N 3.213 121.729 118.600 -0.140 0.000 2.536 176 c HA 0.540 5.109 4.570 -0.000 0.000 0.396 176 c C 0.470 174.405 174.090 -0.259 0.000 1.279 176 c CA -0.568 55.649 56.329 -0.187 0.000 2.148 176 c CB 0.304 42.689 42.510 -0.209 0.000 2.584 176 c HN 0.728 nan 8.230 nan 0.000 0.579 177 Q N 2.339 121.975 119.800 -0.272 0.000 2.279 177 Q HA 0.570 4.910 4.340 -0.000 0.000 0.256 177 Q C -0.171 175.736 176.000 -0.156 0.000 0.937 177 Q CA -0.364 55.287 55.803 -0.253 0.000 0.933 177 Q CB 0.663 29.230 28.738 -0.284 0.000 1.189 177 Q HN 0.795 nan 8.270 nan 0.000 0.417 178 A N 3.142 125.884 122.820 -0.130 0.000 2.567 178 A HA 0.020 4.340 4.320 -0.000 0.000 0.240 178 A C -0.014 177.526 177.584 -0.073 0.000 1.053 178 A CA 0.446 52.428 52.037 -0.093 0.000 0.755 178 A CB -0.469 18.486 19.000 -0.075 0.000 0.978 178 A HN 0.971 nan 8.150 nan 0.000 0.507 179 D N -0.936 119.428 120.400 -0.060 0.000 3.012 179 D HA -0.161 4.479 4.640 -0.000 0.000 0.222 179 D C -0.140 176.137 176.300 -0.039 0.000 1.167 179 D CA 2.178 56.153 54.000 -0.042 0.000 0.854 179 D CB -1.133 39.646 40.800 -0.035 0.000 1.107 179 D HN 0.675 nan 8.370 nan 0.000 0.421 180 K N 0.583 120.954 120.400 -0.048 0.000 2.221 180 K HA 0.485 4.805 4.320 -0.000 0.000 0.258 180 K C -2.386 174.202 176.600 -0.020 0.000 0.944 180 K CA -2.041 54.224 56.287 -0.036 0.000 0.823 180 K CB 1.372 33.839 32.500 -0.056 0.000 1.113 180 K HN -0.214 nan 8.250 nan 0.000 0.431 181 P HA 0.003 nan 4.420 nan 0.000 0.267 181 P C -0.696 176.635 177.300 0.052 0.000 1.200 181 P CA -0.306 62.809 63.100 0.026 0.000 0.772 181 P CB 0.595 32.314 31.700 0.032 0.000 0.855 182 c N 5.251 123.906 118.600 0.091 0.000 3.328 182 c HA 0.250 4.819 4.570 -0.000 0.000 0.230 182 c C -1.000 173.245 174.090 0.258 0.000 1.232 182 c CA -1.612 54.826 56.329 0.181 0.000 1.431 182 c CB -0.048 42.554 42.510 0.153 0.000 1.818 182 c HN 0.511 nan 8.230 nan 0.000 0.484 183 P HA -0.139 nan 4.420 nan 0.000 0.215 183 P C 1.520 178.892 177.300 0.121 0.000 1.157 183 P CA 1.298 64.475 63.100 0.127 0.000 0.868 183 P CB 0.260 32.010 31.700 0.084 0.000 0.788 184 I N -1.239 119.378 120.570 0.079 0.000 2.423 184 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 184 I C 1.860 177.898 176.117 -0.131 0.000 1.151 184 I CA 1.324 62.581 61.300 -0.072 0.000 1.421 184 I CB -0.753 37.121 38.000 -0.210 0.000 1.079 184 I HN -0.251 nan 8.210 nan 0.000 0.431 185 F N -0.040 119.978 119.950 0.113 0.000 2.710 185 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 185 F C 1.776 177.624 175.800 0.080 0.000 1.137 185 F CA 0.469 58.536 58.000 0.112 0.000 1.444 185 F CB -0.318 38.735 39.000 0.088 0.000 1.111 185 F HN 0.101 nan 8.300 nan 0.000 0.580 186 D N -0.972 119.547 120.400 0.199 0.000 2.389 186 D HA 0.011 4.651 4.640 -0.000 0.000 0.206 186 D C 0.985 177.339 176.300 0.089 0.000 1.055 186 D CA 0.541 54.615 54.000 0.123 0.000 0.856 186 D CB -0.222 40.640 40.800 0.103 0.000 0.957 186 D HN 0.127 nan 8.370 nan 0.000 0.509 187 T N 0.209 114.823 114.554 0.100 0.000 2.832 187 T HA 0.459 4.809 4.350 -0.000 0.000 0.296 187 T C -2.581 172.207 174.700 0.147 0.000 0.968 187 T CA -1.568 60.593 62.100 0.102 0.000 1.107 187 T CB 1.814 70.737 68.868 0.091 0.000 0.916 187 T HN -0.230 nan 8.240 nan 0.000 0.517 188 P HA 0.318 nan 4.420 nan 0.000 0.276 188 P C -0.911 176.573 177.300 0.306 0.000 1.261 188 P CA -0.788 62.379 63.100 0.113 0.000 0.800 188 P CB 0.434 32.164 31.700 0.049 0.000 1.066 189 W N 1.812 123.108 121.300 -0.007 0.000 2.308 189 W HA 0.408 5.068 4.660 -0.000 0.000 0.311 189 W C 0.449 176.962 176.519 -0.010 0.000 1.088 189 W CA -0.105 57.233 57.345 -0.012 0.000 1.309 189 W CB -0.184 29.271 29.460 -0.008 0.000 1.229 189 W HN 0.162 nan 8.180 nan 0.000 0.427 190 R N 1.519 122.119 120.500 0.167 0.000 2.740 190 R HA 0.583 4.923 4.340 -0.000 0.000 0.282 190 R C -0.774 175.548 176.300 0.036 0.000 0.969 190 R CA -1.265 54.887 56.100 0.087 0.000 0.918 190 R CB 2.270 32.605 30.300 0.058 0.000 1.175 190 R HN 0.003 nan 8.270 nan 0.000 0.464 191 V N 2.411 122.339 119.914 0.024 0.000 2.521 191 V HA 0.074 4.194 4.120 -0.000 0.000 0.286 191 V C 0.312 176.401 176.094 -0.008 0.000 1.034 191 V CA 0.414 62.713 62.300 -0.003 0.000 1.045 191 V CB 0.504 32.326 31.823 -0.002 0.000 0.974 191 V HN 0.713 nan 8.190 nan 0.000 0.480 192 E N 3.284 123.470 120.200 -0.023 0.000 2.277 192 E HA 0.582 4.932 4.350 -0.000 0.000 0.266 192 E C -0.918 175.666 176.600 -0.026 0.000 0.901 192 E CA -0.780 55.607 56.400 -0.022 0.000 0.782 192 E CB 2.653 32.337 29.700 -0.026 0.000 1.228 192 E HN 0.696 nan 8.360 nan 0.000 0.424 193 Q N 1.428 121.215 119.800 -0.022 0.000 2.321 193 Q HA 0.315 4.655 4.340 -0.000 0.000 0.270 193 Q C -0.968 175.020 176.000 -0.021 0.000 1.032 193 Q CA -0.562 55.228 55.803 -0.021 0.000 0.784 193 Q CB 1.729 30.457 28.738 -0.016 0.000 1.264 193 Q HN 0.637 nan 8.270 nan 0.000 0.448 194 S N 2.240 117.925 115.700 -0.024 0.000 2.624 194 S HA 0.194 4.664 4.470 -0.000 0.000 0.263 194 S C 0.876 175.464 174.600 -0.019 0.000 1.287 194 S CA -0.409 57.776 58.200 -0.024 0.000 0.990 194 S CB 1.306 64.488 63.200 -0.029 0.000 0.950 194 S HN 0.787 nan 8.310 nan 0.000 0.561 195 K N 0.958 121.347 120.400 -0.019 0.000 2.103 195 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 195 K C 2.161 178.751 176.600 -0.016 0.000 1.048 195 K CA 1.716 57.993 56.287 -0.016 0.000 0.930 195 K CB -0.613 31.877 32.500 -0.016 0.000 0.716 195 K HN 0.786 nan 8.250 nan 0.000 0.444 196 S N -1.268 114.420 115.700 -0.019 0.000 2.603 196 S HA 0.069 4.539 4.470 -0.000 0.000 0.229 196 S C 1.370 175.961 174.600 -0.014 0.000 0.972 196 S CA 0.554 58.742 58.200 -0.020 0.000 0.935 196 S CB -0.131 63.054 63.200 -0.026 0.000 0.769 196 S HN 0.519 nan 8.310 nan 0.000 0.536 197 G N 0.760 109.553 108.800 -0.013 0.000 2.176 197 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.253 197 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.253 197 G C -0.080 174.816 174.900 -0.007 0.000 0.979 197 G CA 0.023 45.119 45.100 -0.006 0.000 0.641 197 G HN 0.588 nan 8.290 nan 0.000 0.530 198 K N 1.727 122.116 120.400 -0.018 0.000 2.401 198 K HA 0.440 4.760 4.320 -0.000 0.000 0.278 198 K C 0.793 177.376 176.600 -0.029 0.000 1.018 198 K CA 0.769 57.041 56.287 -0.026 0.000 0.981 198 K CB 0.580 33.057 32.500 -0.039 0.000 0.933 198 K HN 0.377 nan 8.250 nan 0.000 0.477 199 T N -0.425 114.111 114.554 -0.031 0.000 2.795 199 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 199 T C 0.012 174.676 174.700 -0.060 0.000 0.980 199 T CA -0.911 61.166 62.100 -0.037 0.000 1.012 199 T CB 1.277 70.130 68.868 -0.025 0.000 0.936 199 T HN 0.600 nan 8.240 nan 0.000 0.457 200 T N 0.568 115.082 114.554 -0.067 0.000 2.901 200 T HA 0.696 5.046 4.350 -0.000 0.000 0.293 200 T C -0.602 174.037 174.700 -0.103 0.000 1.084 200 T CA -1.113 60.930 62.100 -0.095 0.000 1.008 200 T CB 1.231 70.041 68.868 -0.096 0.000 1.170 200 T HN 0.544 nan 8.240 nan 0.000 0.509 201 I N 2.878 123.355 120.570 -0.154 0.000 2.339 201 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 201 I C 1.057 177.032 176.117 -0.237 0.000 0.994 201 I CA -0.677 60.510 61.300 -0.188 0.000 1.191 201 I CB 1.073 38.912 38.000 -0.267 0.000 1.343 201 I HN 1.012 nan 8.210 nan 0.000 0.458 202 S N 4.146 119.762 115.700 -0.142 0.000 2.549 202 S HA 0.434 4.904 4.470 -0.000 0.000 0.286 202 S C 1.181 175.668 174.600 -0.188 0.000 1.314 202 S CA 0.276 58.413 58.200 -0.105 0.000 1.062 202 S CB 1.112 64.311 63.200 -0.002 0.000 0.865 202 S HN 1.243 nan 8.310 nan 0.000 0.498 203 G N 2.687 111.386 108.800 -0.169 0.000 4.655 203 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.220 203 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.220 203 G C 0.685 175.335 174.900 -0.416 0.000 1.403 203 G CA 0.519 45.521 45.100 -0.163 0.000 0.931 203 G HN 1.260 nan 8.290 nan 0.000 0.654 204 L N 1.740 122.345 121.223 -1.030 0.000 2.013 204 L HA 0.081 4.421 4.340 -0.000 0.000 0.212 204 L C 2.834 179.416 176.870 -0.480 0.000 1.073 204 L CA 3.455 57.672 54.840 -1.038 0.000 0.753 204 L CB -0.933 40.184 42.059 -1.570 0.000 0.890 204 L HN 0.469 nan 8.230 nan 0.000 0.432 205 S N -1.007 114.462 115.700 -0.385 0.000 2.348 205 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 205 S C 1.923 176.422 174.600 -0.168 0.000 1.033 205 S CA 1.519 59.582 58.200 -0.229 0.000 1.010 205 S CB -0.536 62.549 63.200 -0.192 0.000 0.891 205 S HN 0.361 nan 8.310 nan 0.000 0.442 206 V N 1.854 121.665 119.914 -0.171 0.000 2.626 206 V HA -0.123 3.997 4.120 -0.000 0.000 0.252 206 V C 2.139 178.159 176.094 -0.123 0.000 1.067 206 V CA 1.374 63.590 62.300 -0.138 0.000 1.081 206 V CB -0.671 31.074 31.823 -0.131 0.000 0.686 206 V HN 0.446 nan 8.190 nan 0.000 0.468 207 M N -0.210 119.303 119.600 -0.146 0.000 2.132 207 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 207 M C 2.373 178.668 176.300 -0.009 0.000 1.065 207 M CA 2.067 57.319 55.300 -0.079 0.000 1.122 207 M CB -0.470 32.079 32.600 -0.085 0.000 1.365 207 M HN 0.394 nan 8.290 nan 0.000 0.411 208 A N 0.675 123.470 122.820 -0.043 0.000 1.933 208 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 208 A C 1.680 179.282 177.584 0.031 0.000 1.175 208 A CA 2.054 54.098 52.037 0.012 0.000 0.628 208 A CB -1.153 17.853 19.000 0.009 0.000 0.814 208 A HN 0.629 nan 8.150 nan 0.000 0.444 209 N N -0.651 118.039 118.700 -0.015 0.000 2.104 209 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 209 N C 1.850 177.344 175.510 -0.027 0.000 1.024 209 N CA 1.710 54.739 53.050 -0.033 0.000 0.853 209 N CB -0.279 38.153 38.487 -0.093 0.000 1.008 209 N HN 0.478 nan 8.380 nan 0.000 0.424 210 M N 0.374 119.967 119.600 -0.011 0.000 2.086 210 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 210 M C 2.137 178.569 176.300 0.220 0.000 1.067 210 M CA 1.209 56.560 55.300 0.084 0.000 1.116 210 M CB -0.153 32.581 32.600 0.224 0.000 1.348 210 M HN 0.007 nan 8.290 nan 0.000 0.407 211 V N 0.084 120.106 119.914 0.179 0.000 2.407 211 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 211 V C 2.251 178.446 176.094 0.169 0.000 1.055 211 V CA 2.066 64.475 62.300 0.181 0.000 1.049 211 V CB -0.753 31.152 31.823 0.138 0.000 0.662 211 V HN 0.439 nan 8.190 nan 0.000 0.455 212 E N 0.670 120.951 120.200 0.134 0.000 2.077 212 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 212 E C 2.216 178.922 176.600 0.176 0.000 0.989 212 E CA 2.110 58.590 56.400 0.133 0.000 0.800 212 E CB -0.558 29.201 29.700 0.099 0.000 0.746 212 E HN 0.597 nan 8.360 nan 0.000 0.452 213 T N 1.018 115.677 114.554 0.175 0.000 2.708 213 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 213 T C 1.888 176.823 174.700 0.393 0.000 1.037 213 T CA 1.414 63.669 62.100 0.257 0.000 1.146 213 T CB -0.308 68.679 68.868 0.198 0.000 0.865 213 T HN 0.123 nan 8.240 nan 0.000 0.435 214 L N 0.760 122.214 121.223 0.385 0.000 2.046 214 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 214 L C 3.008 180.059 176.870 0.302 0.000 1.077 214 L CA 1.237 56.282 54.840 0.343 0.000 0.747 214 L CB -0.550 41.688 42.059 0.298 0.000 0.896 214 L HN 0.150 nan 8.230 nan 0.000 0.432 215 R N 1.052 121.713 120.500 0.267 0.000 2.096 215 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 215 R C 2.135 178.635 176.300 0.333 0.000 1.127 215 R CA 1.501 57.765 56.100 0.272 0.000 0.968 215 R CB -0.461 29.977 30.300 0.230 0.000 0.861 215 R HN 0.362 nan 8.270 nan 0.000 0.440 216 L N -0.106 121.317 121.223 0.333 0.000 2.005 216 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 216 L C 2.699 179.821 176.870 0.420 0.000 1.072 216 L CA 1.505 56.578 54.840 0.389 0.000 0.744 216 L CB -0.963 41.328 42.059 0.388 0.000 0.895 216 L HN 0.362 nan 8.230 nan 0.000 0.433 217 G N -0.569 108.483 108.800 0.420 0.000 2.469 217 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 217 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 217 G C 1.390 176.246 174.900 -0.073 0.000 1.136 217 G CA 0.549 45.641 45.100 -0.014 0.000 0.759 217 G HN 0.509 nan 8.290 nan 0.000 0.562 218 W N 1.564 122.841 121.300 -0.040 0.000 2.353 218 W HA -0.135 4.525 4.660 -0.000 0.000 0.319 218 W C 2.422 178.904 176.519 -0.061 0.000 1.207 218 W CA 1.755 59.068 57.345 -0.052 0.000 1.291 218 W CB -0.529 28.936 29.460 0.009 0.000 1.159 218 W HN 0.297 nan 8.180 nan 0.000 0.478 219 S N 0.495 116.304 115.700 0.182 0.000 2.419 219 S HA -0.259 4.211 4.470 -0.000 0.000 0.233 219 S C 1.350 175.872 174.600 -0.129 0.000 1.016 219 S CA 1.841 60.110 58.200 0.115 0.000 0.974 219 S CB -0.425 62.933 63.200 0.263 0.000 0.786 219 S HN 0.324 nan 8.310 nan 0.000 0.492 220 E N 2.101 122.143 120.200 -0.264 0.000 2.418 220 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 220 E C 0.562 176.506 176.600 -1.092 0.000 1.026 220 E CA 0.370 56.391 56.400 -0.633 0.000 0.862 220 E CB -0.418 29.038 29.700 -0.408 0.000 0.799 220 E HN 0.319 nan 8.360 nan 0.000 0.518 221 N N -0.251 117.982 118.700 -0.779 0.000 2.735 221 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 221 N C -1.092 174.109 175.510 -0.515 0.000 1.083 221 N CA 0.588 53.270 53.050 -0.613 0.000 0.703 221 N CB -1.646 36.586 38.487 -0.425 0.000 1.005 221 N HN 0.311 nan 8.380 nan 0.000 0.550 222 L N -0.030 120.857 121.223 -0.560 0.000 2.506 222 L HA 0.141 4.480 4.340 -0.000 0.000 0.281 222 L C -1.200 175.442 176.870 -0.380 0.000 1.228 222 L CA -1.109 53.425 54.840 -0.511 0.000 0.850 222 L CB 0.008 41.693 42.059 -0.623 0.000 1.110 222 L HN 0.133 nan 8.230 nan 0.000 0.496 223 P HA -0.036 nan 4.420 nan 0.000 0.266 223 P C 0.801 177.971 177.300 -0.216 0.000 1.193 223 P CA -0.028 62.934 63.100 -0.229 0.000 0.770 223 P CB 0.501 32.090 31.700 -0.184 0.000 0.836 224 L N 1.319 122.449 121.223 -0.154 0.000 2.131 224 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 224 L C 2.247 179.048 176.870 -0.115 0.000 1.092 224 L CA 2.071 56.855 54.840 -0.094 0.000 0.759 224 L CB -0.980 41.063 42.059 -0.028 0.000 0.903 224 L HN 0.463 nan 8.230 nan 0.000 0.435 225 S N -0.792 114.835 115.700 -0.123 0.000 2.423 225 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 225 S C 1.705 176.154 174.600 -0.252 0.000 1.014 225 S CA 0.843 58.966 58.200 -0.128 0.000 0.965 225 S CB -0.221 62.927 63.200 -0.087 0.000 0.785 225 S HN 0.541 nan 8.310 nan 0.000 0.495 226 Q N -0.339 119.283 119.800 -0.297 0.000 2.282 226 Q HA 0.367 4.707 4.340 -0.000 0.000 0.206 226 Q C 1.556 177.258 176.000 -0.496 0.000 0.878 226 Q CA -0.046 55.520 55.803 -0.394 0.000 0.944 226 Q CB 0.220 28.769 28.738 -0.315 0.000 1.100 226 Q HN 0.504 nan 8.270 nan 0.000 0.509 227 L N -0.550 120.421 121.223 -0.420 0.000 2.187 227 L HA 0.319 4.659 4.340 -0.000 0.000 0.197 227 L C 0.630 177.240 176.870 -0.433 0.000 1.090 227 L CA 1.597 56.243 54.840 -0.323 0.000 0.781 227 L CB 0.031 42.004 42.059 -0.144 0.000 0.956 227 L HN -0.079 nan 8.230 nan 0.000 0.463 228 A N -2.199 120.421 122.820 -0.334 0.000 2.992 228 A HA 0.301 4.621 4.320 -0.000 0.000 0.263 228 A C -0.657 176.969 177.584 0.070 0.000 0.928 228 A CA -0.435 51.480 52.037 -0.203 0.000 1.061 228 A CB -0.722 18.297 19.000 0.032 0.000 1.173 228 A HN 0.475 nan 8.150 nan 0.000 0.482 229 W N -0.363 120.850 121.300 -0.145 0.000 6.170 229 W HA -0.294 4.366 4.660 -0.000 0.000 0.394 229 W C 1.220 177.697 176.519 -0.070 0.000 1.480 229 W CA 1.262 58.541 57.345 -0.110 0.000 1.027 229 W CB -2.089 27.295 29.460 -0.128 0.000 2.638 229 W HN 1.596 nan 8.180 nan 0.000 1.547 230 G N -1.162 107.668 108.800 0.051 0.000 2.205 230 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.261 230 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.261 230 G C 1.280 176.217 174.900 0.060 0.000 0.980 230 G CA 0.814 45.941 45.100 0.045 0.000 0.632 230 G HN 0.295 nan 8.290 nan 0.000 0.533 231 K N -0.129 120.322 120.400 0.084 0.000 2.228 231 K HA 0.228 4.548 4.320 -0.000 0.000 0.202 231 K C 1.263 177.896 176.600 0.055 0.000 1.051 231 K CA 0.584 56.913 56.287 0.069 0.000 0.960 231 K CB 0.319 32.871 32.500 0.086 0.000 0.743 231 K HN 0.537 nan 8.250 nan 0.000 0.458 232 I N 0.803 121.413 120.570 0.066 0.000 2.330 232 I HA 0.134 4.304 4.170 -0.000 0.000 0.289 232 I C 0.514 176.712 176.117 0.136 0.000 1.001 232 I CA -0.309 61.028 61.300 0.061 0.000 1.193 232 I CB 1.742 39.778 38.000 0.061 0.000 1.345 232 I HN -0.085 nan 8.210 nan 0.000 0.461 233 A N 5.916 128.804 122.820 0.113 0.000 2.498 233 A HA 0.246 4.566 4.320 -0.000 0.000 0.238 233 A C 0.284 178.025 177.584 0.262 0.000 1.225 233 A CA -0.024 52.139 52.037 0.211 0.000 0.978 233 A CB 0.444 19.510 19.000 0.111 0.000 1.142 233 A HN 0.732 nan 8.150 nan 0.000 0.552 234 Q N -2.259 117.534 119.800 -0.012 0.000 2.421 234 Q HA 0.766 5.106 4.340 -0.000 0.000 0.280 234 Q C 0.538 176.118 176.000 -0.700 0.000 1.085 234 Q CA -0.414 55.311 55.803 -0.130 0.000 0.807 234 Q CB 1.848 30.565 28.738 -0.036 0.000 1.405 234 Q HN 0.122 nan 8.270 nan 0.000 0.419 235 A N 1.613 124.028 122.820 -0.675 0.000 1.917 235 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 235 A C 2.145 179.392 177.584 -0.562 0.000 1.182 235 A CA 2.597 54.112 52.037 -0.869 0.000 0.633 235 A CB -1.135 17.694 19.000 -0.285 0.000 0.819 235 A HN 0.946 nan 8.150 nan 0.000 0.448 236 S N -0.514 114.993 115.700 -0.321 0.000 2.419 236 S HA -0.273 4.196 4.470 -0.000 0.000 0.235 236 S C 1.845 176.326 174.600 -0.198 0.000 1.019 236 S CA 1.565 59.639 58.200 -0.209 0.000 0.982 236 S CB -0.550 62.575 63.200 -0.125 0.000 0.789 236 S HN 0.710 nan 8.310 nan 0.000 0.490 237 Q N 0.088 119.743 119.800 -0.243 0.000 2.172 237 Q HA 0.064 4.404 4.340 -0.000 0.000 0.200 237 Q C 2.022 177.920 176.000 -0.170 0.000 0.964 237 Q CA 1.139 56.838 55.803 -0.174 0.000 0.855 237 Q CB -0.211 28.436 28.738 -0.152 0.000 0.918 237 Q HN 0.510 nan 8.270 nan 0.000 0.444 238 I N 0.417 120.811 120.570 -0.293 0.000 2.252 238 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 238 I C 2.042 178.088 176.117 -0.117 0.000 1.102 238 I CA 1.410 62.589 61.300 -0.203 0.000 1.385 238 I CB -1.332 36.470 38.000 -0.330 0.000 1.064 238 I HN 0.181 nan 8.210 nan 0.000 0.414 239 T N 1.485 115.938 114.554 -0.168 0.000 2.849 239 T HA -0.120 4.230 4.350 -0.000 0.000 0.270 239 T C 1.929 176.606 174.700 -0.038 0.000 1.066 239 T CA 1.406 63.446 62.100 -0.100 0.000 1.130 239 T CB -0.226 68.557 68.868 -0.142 0.000 0.864 239 T HN 0.454 nan 8.240 nan 0.000 0.481 240 A N 0.715 123.509 122.820 -0.044 0.000 2.067 240 A HA 0.216 4.536 4.320 -0.000 0.000 0.217 240 A C 2.094 179.695 177.584 0.028 0.000 1.156 240 A CA 0.702 52.734 52.037 -0.008 0.000 0.683 240 A CB -0.452 18.538 19.000 -0.017 0.000 0.808 240 A HN 0.501 nan 8.150 nan 0.000 0.455 241 L N -0.746 120.499 121.223 0.036 0.000 2.446 241 L HA 0.096 4.435 4.340 -0.000 0.000 0.219 241 L C 1.992 178.912 176.870 0.083 0.000 1.116 241 L CA 0.066 54.953 54.840 0.078 0.000 0.844 241 L CB -0.272 41.845 42.059 0.096 0.000 0.970 241 L HN 0.304 nan 8.230 nan 0.000 0.457 242 L N 0.259 121.522 121.223 0.067 0.000 2.191 242 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 242 L C -0.292 176.614 176.870 0.059 0.000 1.103 242 L CA 1.038 55.921 54.840 0.071 0.000 0.769 242 L CB -1.630 40.484 42.059 0.092 0.000 0.908 242 L HN 0.225 nan 8.230 nan 0.000 0.438 243 P HA -0.200 nan 4.420 nan 0.000 0.217 243 P C 1.860 179.208 177.300 0.079 0.000 1.148 243 P CA 1.372 64.511 63.100 0.065 0.000 0.828 243 P CB 0.075 31.817 31.700 0.071 0.000 0.783 244 L N -1.721 119.561 121.223 0.097 0.000 2.017 244 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 244 L C 2.357 179.260 176.870 0.056 0.000 1.073 244 L CA 1.055 55.953 54.840 0.097 0.000 0.745 244 L CB -1.076 41.054 42.059 0.118 0.000 0.894 244 L HN -0.003 nan 8.230 nan 0.000 0.432 245 L N -0.582 120.673 121.223 0.054 0.000 2.012 245 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 245 L C 2.466 179.352 176.870 0.026 0.000 1.073 245 L CA 2.098 56.961 54.840 0.039 0.000 0.748 245 L CB -0.860 41.200 42.059 0.000 0.000 0.891 245 L HN 0.165 nan 8.230 nan 0.000 0.431 246 T N -0.812 113.736 114.554 -0.009 0.000 2.674 246 T HA -0.233 4.117 4.350 -0.000 0.000 0.265 246 T C 1.720 176.453 174.700 0.054 0.000 1.039 246 T CA 1.585 63.676 62.100 -0.015 0.000 1.150 246 T CB -0.186 68.668 68.868 -0.024 0.000 0.864 246 T HN 0.381 nan 8.240 nan 0.000 0.427 247 E N 1.512 121.744 120.200 0.052 0.000 2.086 247 E HA -0.181 4.169 4.350 -0.000 0.000 0.200 247 E C 2.114 178.730 176.600 0.026 0.000 1.012 247 E CA 1.429 57.859 56.400 0.049 0.000 0.812 247 E CB -0.374 29.368 29.700 0.070 0.000 0.743 247 E HN 0.449 nan 8.360 nan 0.000 0.453 248 N N -1.420 117.292 118.700 0.020 0.000 2.223 248 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 248 N C 1.474 177.002 175.510 0.030 0.000 1.016 248 N CA 0.875 53.914 53.050 -0.018 0.000 0.863 248 N CB -0.077 38.394 38.487 -0.028 0.000 0.983 248 N HN 0.220 nan 8.380 nan 0.000 0.429 249 Y N 1.765 122.022 120.300 -0.072 0.000 2.163 249 Y HA -0.120 4.429 4.550 -0.000 0.000 0.288 249 Y C 2.107 177.965 175.900 -0.070 0.000 1.136 249 Y CA 1.075 59.132 58.100 -0.072 0.000 1.147 249 Y CB -0.454 37.956 38.460 -0.082 0.000 0.987 249 Y HN 0.058 nan 8.280 nan 0.000 0.509 250 D N -0.105 120.341 120.400 0.077 0.000 2.158 250 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 250 D C 1.433 177.729 176.300 -0.007 0.000 0.995 250 D CA 1.448 55.459 54.000 0.018 0.000 0.846 250 D CB -0.316 40.495 40.800 0.019 0.000 0.941 250 D HN 0.307 nan 8.370 nan 0.000 0.456 251 L N -0.029 121.181 121.223 -0.020 0.000 2.685 251 L HA 0.187 4.527 4.340 -0.000 0.000 0.233 251 L C 1.233 178.064 176.870 -0.065 0.000 1.173 251 L CA -0.131 54.688 54.840 -0.035 0.000 0.961 251 L CB -0.048 41.989 42.059 -0.036 0.000 1.217 251 L HN 0.013 nan 8.230 nan 0.000 0.478 252 S N -2.169 113.473 115.700 -0.097 0.000 4.585 252 S HA 0.056 4.526 4.470 -0.000 0.000 0.155 252 S C 1.100 175.613 174.600 -0.145 0.000 0.954 252 S CA -0.107 58.012 58.200 -0.135 0.000 1.213 252 S CB 0.078 63.153 63.200 -0.208 0.000 1.901 252 S HN 0.185 nan 8.310 nan 0.000 0.805 253 N N 2.251 120.801 118.700 -0.250 0.000 2.396 253 N HA 0.098 4.837 4.740 -0.000 0.000 0.180 253 N C 0.107 175.551 175.510 -0.111 0.000 1.028 253 N CA 1.219 54.145 53.050 -0.207 0.000 0.893 253 N CB -0.036 38.253 38.487 -0.331 0.000 0.967 253 N HN 0.450 nan 8.380 nan 0.000 0.440 254 D N 0.231 120.581 120.400 -0.084 0.000 2.368 254 D HA 0.071 4.711 4.640 -0.000 0.000 0.218 254 D C -0.376 175.908 176.300 -0.026 0.000 1.112 254 D CA 0.081 54.055 54.000 -0.042 0.000 0.834 254 D CB 0.438 41.221 40.800 -0.029 0.000 0.953 254 D HN -0.027 nan 8.370 nan 0.000 0.505 255 V N 2.460 122.361 119.914 -0.021 0.000 2.446 255 V HA -0.077 4.043 4.120 -0.000 0.000 0.276 255 V C 1.779 177.889 176.094 0.027 0.000 1.030 255 V CA -0.215 62.093 62.300 0.014 0.000 1.033 255 V CB 1.003 32.846 31.823 0.033 0.000 0.993 255 V HN 0.045 nan 8.190 nan 0.000 0.477 256 L N 6.015 127.261 121.223 0.039 0.000 1.978 256 L HA -0.237 4.103 4.340 -0.000 0.000 0.218 256 L C 2.063 178.958 176.870 0.042 0.000 1.075 256 L CA 2.537 57.398 54.840 0.036 0.000 0.767 256 L CB -0.999 41.088 42.059 0.048 0.000 0.890 256 L HN 0.778 nan 8.230 nan 0.000 0.434 257 Y N -0.094 120.199 120.300 -0.012 0.000 2.193 257 Y HA -0.303 4.247 4.550 -0.000 0.000 0.285 257 Y C 2.309 178.201 175.900 -0.014 0.000 1.166 257 Y CA 2.522 60.615 58.100 -0.011 0.000 1.181 257 Y CB -0.739 37.714 38.460 -0.011 0.000 0.976 257 Y HN 0.309 nan 8.280 nan 0.000 0.520 258 T N 0.458 114.943 114.554 -0.116 0.000 2.812 258 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 258 T C 2.155 176.746 174.700 -0.182 0.000 1.042 258 T CA 1.206 63.199 62.100 -0.179 0.000 1.140 258 T CB -0.717 68.136 68.868 -0.026 0.000 0.870 258 T HN 0.477 nan 8.240 nan 0.000 0.445 259 A N 1.506 124.258 122.820 -0.113 0.000 1.933 259 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 259 A C 2.298 179.817 177.584 -0.108 0.000 1.175 259 A CA 1.441 53.427 52.037 -0.084 0.000 0.628 259 A CB -0.578 18.393 19.000 -0.047 0.000 0.814 259 A HN 0.527 nan 8.150 nan 0.000 0.444 260 Q N -0.679 119.029 119.800 -0.154 0.000 2.049 260 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 260 Q C 2.005 177.890 176.000 -0.192 0.000 0.971 260 Q CA 1.217 56.930 55.803 -0.150 0.000 0.833 260 Q CB -0.150 28.507 28.738 -0.135 0.000 0.896 260 Q HN 0.397 nan 8.270 nan 0.000 0.434 261 K N 0.721 120.923 120.400 -0.331 0.000 2.025 261 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 261 K C 1.849 178.359 176.600 -0.150 0.000 1.049 261 K CA 1.296 57.418 56.287 -0.275 0.000 0.933 261 K CB -0.083 32.159 32.500 -0.431 0.000 0.714 261 K HN 0.152 nan 8.250 nan 0.000 0.438 262 R N -0.966 119.453 120.500 -0.135 0.000 2.334 262 R HA 0.109 4.449 4.340 -0.000 0.000 0.212 262 R C 1.636 177.916 176.300 -0.033 0.000 0.897 262 R CA 0.478 56.541 56.100 -0.062 0.000 1.056 262 R CB 0.638 30.907 30.300 -0.051 0.000 1.046 262 R HN 0.214 nan 8.270 nan 0.000 0.513 263 G N -0.976 107.795 108.800 -0.048 0.000 2.958 263 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.225 263 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.225 263 G C 1.036 175.917 174.900 -0.032 0.000 1.036 263 G CA -0.178 44.910 45.100 -0.020 0.000 0.880 263 G HN 0.039 nan 8.290 nan 0.000 0.557 264 S N 0.353 116.021 115.700 -0.053 0.000 2.383 264 S HA -0.143 4.326 4.470 -0.000 0.000 0.229 264 S C 2.365 176.931 174.600 -0.058 0.000 1.030 264 S CA 1.288 59.456 58.200 -0.053 0.000 1.002 264 S CB -0.137 63.028 63.200 -0.060 0.000 0.829 264 S HN 0.205 nan 8.310 nan 0.000 0.467 265 V N 1.363 121.234 119.914 -0.071 0.000 2.407 265 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 265 V C 1.969 178.003 176.094 -0.101 0.000 1.055 265 V CA 1.494 63.736 62.300 -0.096 0.000 1.049 265 V CB -0.242 31.503 31.823 -0.131 0.000 0.662 265 V HN 0.430 nan 8.190 nan 0.000 0.455 266 L N -0.417 120.759 121.223 -0.078 0.000 2.068 266 L HA 0.038 4.378 4.340 -0.000 0.000 0.204 266 L C 2.166 179.023 176.870 -0.022 0.000 1.076 266 L CA 2.191 56.996 54.840 -0.058 0.000 0.753 266 L CB -0.896 41.166 42.059 0.006 0.000 0.910 266 L HN 0.370 nan 8.230 nan 0.000 0.439 267 L N 0.302 121.517 121.223 -0.013 0.000 2.042 267 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 267 L C 2.268 179.118 176.870 -0.034 0.000 1.076 267 L CA 2.171 57.002 54.840 -0.016 0.000 0.749 267 L CB -1.193 40.852 42.059 -0.023 0.000 0.893 267 L HN 0.533 nan 8.230 nan 0.000 0.432 268 N N -0.219 118.454 118.700 -0.044 0.000 2.120 268 N HA -0.160 4.579 4.740 -0.000 0.000 0.188 268 N C 1.808 177.292 175.510 -0.044 0.000 1.024 268 N CA 1.690 54.711 53.050 -0.048 0.000 0.852 268 N CB -0.292 38.163 38.487 -0.053 0.000 1.003 268 N HN 0.475 nan 8.380 nan 0.000 0.424 269 A N 0.271 123.060 122.820 -0.053 0.000 1.933 269 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 269 A C 2.299 179.870 177.584 -0.020 0.000 1.175 269 A CA 1.440 53.447 52.037 -0.050 0.000 0.628 269 A CB -0.533 18.419 19.000 -0.079 0.000 0.814 269 A HN 0.414 nan 8.150 nan 0.000 0.444 270 M N -0.742 118.853 119.600 -0.008 0.000 2.077 270 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 270 M C 2.153 178.456 176.300 0.004 0.000 1.070 270 M CA 1.337 56.646 55.300 0.014 0.000 1.125 270 M CB -0.487 32.127 32.600 0.024 0.000 1.339 270 M HN 0.358 nan 8.290 nan 0.000 0.409 271 L N -0.053 121.157 121.223 -0.021 0.000 2.012 271 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 271 L C 2.040 178.914 176.870 0.007 0.000 1.073 271 L CA 1.148 55.967 54.840 -0.034 0.000 0.748 271 L CB -0.946 41.071 42.059 -0.070 0.000 0.891 271 L HN 0.304 nan 8.230 nan 0.000 0.431 272 D N 0.188 120.588 120.400 0.001 0.000 2.117 272 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 272 D C 2.119 178.436 176.300 0.028 0.000 0.987 272 D CA 1.523 55.532 54.000 0.014 0.000 0.829 272 D CB -0.346 40.448 40.800 -0.011 0.000 0.961 272 D HN 0.351 nan 8.370 nan 0.000 0.460 273 G N 0.230 109.043 108.800 0.022 0.000 2.470 273 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 273 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 273 G C 1.558 176.490 174.900 0.053 0.000 1.121 273 G CA 0.278 45.395 45.100 0.029 0.000 0.766 273 G HN 0.284 nan 8.290 nan 0.000 0.553 274 V N -0.240 119.724 119.914 0.084 0.000 3.608 274 V HA 0.258 4.378 4.120 -0.000 0.000 0.269 274 V C 1.089 177.313 176.094 0.218 0.000 1.245 274 V CA 0.213 62.594 62.300 0.135 0.000 1.138 274 V CB -0.287 31.626 31.823 0.149 0.000 0.841 274 V HN 0.203 nan 8.190 nan 0.000 0.451 275 K N 1.552 122.072 120.400 0.201 0.000 2.237 275 K HA 0.279 4.599 4.320 -0.000 0.000 0.270 275 K C -2.406 174.204 176.600 0.016 0.000 1.015 275 K CA -1.572 54.830 56.287 0.191 0.000 0.949 275 K CB 0.333 32.937 32.500 0.173 0.000 0.976 275 K HN 0.103 nan 8.250 nan 0.000 0.472 276 P HA -0.086 nan 4.420 nan 0.000 0.266 276 P C -0.767 176.509 177.300 -0.039 0.000 1.193 276 P CA 0.552 63.602 63.100 -0.083 0.000 0.770 276 P CB 0.409 32.034 31.700 -0.126 0.000 0.836 277 E N -2.017 118.160 120.200 -0.039 0.000 3.070 277 E HA -0.221 4.128 4.350 -0.000 0.000 0.285 277 E C 0.203 176.786 176.600 -0.028 0.000 0.972 277 E CA 1.101 57.482 56.400 -0.032 0.000 0.915 277 E CB -2.389 27.294 29.700 -0.028 0.000 1.466 277 E HN 0.625 nan 8.360 nan 0.000 0.432 278 A N 0.687 123.493 122.820 -0.023 0.000 2.466 278 A HA 0.411 4.731 4.320 -0.000 0.000 0.238 278 A C 0.532 178.089 177.584 -0.046 0.000 1.074 278 A CA 0.721 52.745 52.037 -0.023 0.000 0.774 278 A CB 0.811 19.807 19.000 -0.007 0.000 1.015 278 A HN 0.220 nan 8.150 nan 0.000 0.498 279 S N 2.209 117.872 115.700 -0.061 0.000 2.519 279 S HA 0.667 5.137 4.470 -0.000 0.000 0.309 279 S C -2.485 172.034 174.600 -0.134 0.000 1.100 279 S CA -1.385 56.758 58.200 -0.095 0.000 1.059 279 S CB 0.937 64.081 63.200 -0.093 0.000 1.008 279 S HN 0.657 nan 8.310 nan 0.000 0.478 280 P HA 0.270 nan 4.420 nan 0.000 0.276 280 P C -0.947 176.290 177.300 -0.106 0.000 1.252 280 P CA -0.614 62.375 63.100 -0.184 0.000 0.802 280 P CB 0.291 31.806 31.700 -0.309 0.000 1.035 281 N N 0.576 119.225 118.700 -0.084 0.000 2.605 281 N HA 0.277 5.017 4.740 -0.000 0.000 0.258 281 N C -0.411 175.080 175.510 -0.032 0.000 1.156 281 N CA -0.358 52.661 53.050 -0.050 0.000 1.008 281 N CB -0.580 37.879 38.487 -0.046 0.000 1.354 281 N HN 0.227 nan 8.380 nan 0.000 0.509 282 V N 1.131 121.039 119.914 -0.010 0.000 2.960 282 V HA 0.600 4.720 4.120 -0.000 0.000 0.315 282 V C 1.044 177.164 176.094 0.044 0.000 1.087 282 V CA -0.950 61.367 62.300 0.028 0.000 0.982 282 V CB 2.131 33.993 31.823 0.064 0.000 1.039 282 V HN 0.280 nan 8.190 nan 0.000 0.437 283 R N 0.663 121.203 120.500 0.066 0.000 2.153 283 R HA 0.104 4.444 4.340 -0.000 0.000 0.218 283 R C -0.200 176.176 176.300 0.126 0.000 1.072 283 R CA 0.849 56.983 56.100 0.056 0.000 0.990 283 R CB -0.148 30.183 30.300 0.051 0.000 0.889 283 R HN 0.876 nan 8.270 nan 0.000 0.452 284 W N 0.747 122.022 121.300 -0.041 0.000 2.728 284 W HA 0.322 4.982 4.660 -0.000 0.000 0.324 284 W C -1.776 174.766 176.519 0.038 0.000 1.012 284 W CA -2.243 55.077 57.345 -0.041 0.000 1.279 284 W CB 0.330 29.772 29.460 -0.031 0.000 1.289 284 W HN -0.204 nan 8.180 nan 0.000 0.418 285 L N 7.678 129.080 121.223 0.299 0.000 2.261 285 L HA 0.487 4.826 4.340 -0.000 0.000 0.289 285 L C -1.090 175.874 176.870 0.156 0.000 1.059 285 L CA -0.430 54.512 54.840 0.170 0.000 0.816 285 L CB 0.691 42.844 42.059 0.157 0.000 1.191 285 L HN 0.351 nan 8.230 nan 0.000 0.431 286 L N 6.660 127.856 121.223 -0.046 0.000 2.298 286 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 286 L C -1.236 175.652 176.870 0.031 0.000 1.013 286 L CA -0.151 54.666 54.840 -0.038 0.000 0.824 286 L CB 1.090 42.944 42.059 -0.341 0.000 1.221 286 L HN 0.514 nan 8.230 nan 0.000 0.418 287 L N 5.943 127.233 121.223 0.112 0.000 2.307 287 L HA 0.665 5.005 4.340 -0.000 0.000 0.284 287 L C -0.818 176.076 176.870 0.040 0.000 1.023 287 L CA -0.923 54.016 54.840 0.164 0.000 0.810 287 L CB 1.925 44.160 42.059 0.294 0.000 1.231 287 L HN 0.268 nan 8.230 nan 0.000 0.423 288 V N 2.731 122.581 119.914 -0.106 0.000 2.380 288 V HA 0.768 4.887 4.120 -0.000 0.000 0.286 288 V C 0.122 175.876 176.094 -0.565 0.000 1.015 288 V CA -0.101 62.055 62.300 -0.240 0.000 0.834 288 V CB 1.066 32.778 31.823 -0.186 0.000 1.009 288 V HN 1.010 nan 8.190 nan 0.000 0.428 289 A N 4.167 126.635 122.820 -0.586 0.000 3.955 289 A HA 0.841 5.160 4.320 -0.000 0.000 0.175 289 A C -0.610 176.544 177.584 -0.717 0.000 0.682 289 A CA -0.393 51.091 52.037 -0.922 0.000 0.834 289 A CB 1.171 19.659 19.000 -0.854 0.000 1.657 289 A HN 0.699 nan 8.150 nan 0.000 0.820 290 H N -0.240 118.779 119.070 -0.085 0.000 2.771 290 H HA 0.281 4.837 4.556 -0.000 0.000 0.367 290 H C -0.126 175.246 175.328 0.073 0.000 1.172 290 H CA 0.207 56.254 56.048 -0.002 0.000 1.186 290 H CB 1.269 31.031 29.762 0.000 0.000 1.790 290 H HN 0.746 nan 8.280 nan 0.000 0.556 291 D N -0.160 120.382 120.400 0.238 0.000 2.123 291 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 291 D C 1.600 178.069 176.300 0.281 0.000 0.992 291 D CA 2.139 56.292 54.000 0.255 0.000 0.833 291 D CB -0.914 40.050 40.800 0.273 0.000 0.954 291 D HN 0.627 nan 8.370 nan 0.000 0.455 292 T N -1.054 113.627 114.554 0.212 0.000 2.699 292 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 292 T C 1.673 176.442 174.700 0.115 0.000 1.036 292 T CA 1.785 63.936 62.100 0.085 0.000 1.147 292 T CB -0.936 67.933 68.868 0.002 0.000 0.862 292 T HN 0.272 nan 8.240 nan 0.000 0.446 293 N N 1.314 120.121 118.700 0.178 0.000 2.106 293 N HA 0.133 4.873 4.740 -0.000 0.000 0.188 293 N C 1.883 177.497 175.510 0.173 0.000 1.029 293 N CA 1.118 54.281 53.050 0.189 0.000 0.848 293 N CB -0.413 38.233 38.487 0.266 0.000 1.007 293 N HN 0.332 nan 8.380 nan 0.000 0.423 294 I N 0.960 121.645 120.570 0.193 0.000 2.226 294 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 294 I C 2.369 178.594 176.117 0.180 0.000 1.100 294 I CA 0.844 62.273 61.300 0.214 0.000 1.374 294 I CB -0.307 37.852 38.000 0.264 0.000 1.057 294 I HN 0.181 nan 8.210 nan 0.000 0.413 295 A N 0.435 123.354 122.820 0.165 0.000 1.908 295 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 295 A C 2.353 179.959 177.584 0.037 0.000 1.181 295 A CA 1.734 53.833 52.037 0.103 0.000 0.627 295 A CB -0.556 18.586 19.000 0.236 0.000 0.818 295 A HN 0.355 nan 8.150 nan 0.000 0.445 296 M N -0.994 118.635 119.600 0.047 0.000 2.200 296 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 296 M C 2.086 178.402 176.300 0.027 0.000 1.066 296 M CA 1.096 56.405 55.300 0.015 0.000 1.127 296 M CB -0.296 32.309 32.600 0.009 0.000 1.379 296 M HN 0.256 nan 8.290 nan 0.000 0.420 297 V N 1.037 120.990 119.914 0.066 0.000 2.307 297 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 297 V C 2.355 178.497 176.094 0.080 0.000 1.045 297 V CA 2.248 64.591 62.300 0.072 0.000 1.024 297 V CB -0.813 31.076 31.823 0.110 0.000 0.651 297 V HN 0.533 nan 8.190 nan 0.000 0.449 298 R N 0.382 120.946 120.500 0.107 0.000 2.148 298 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 298 R C 1.906 178.222 176.300 0.027 0.000 1.103 298 R CA 1.876 58.049 56.100 0.121 0.000 0.983 298 R CB -1.629 28.688 30.300 0.027 0.000 0.874 298 R HN 0.370 nan 8.270 nan 0.000 0.451 299 T N 1.255 115.796 114.554 -0.021 0.000 2.821 299 T HA 0.102 4.451 4.350 -0.000 0.000 0.267 299 T C 1.619 176.324 174.700 0.007 0.000 1.046 299 T CA 1.213 63.300 62.100 -0.022 0.000 1.139 299 T CB -0.133 68.714 68.868 -0.035 0.000 0.871 299 T HN 0.126 nan 8.240 nan 0.000 0.454 300 L N 0.192 121.419 121.223 0.007 0.000 2.156 300 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 300 L C 2.463 179.333 176.870 0.001 0.000 1.095 300 L CA 1.014 55.854 54.840 0.000 0.000 0.770 300 L CB -0.518 41.533 42.059 -0.013 0.000 0.914 300 L HN 0.308 nan 8.230 nan 0.000 0.439 301 M N -0.872 118.734 119.600 0.010 0.000 2.476 301 M HA -0.119 4.360 4.480 -0.000 0.000 0.262 301 M C 0.632 176.980 176.300 0.080 0.000 1.079 301 M CA 0.664 55.948 55.300 -0.028 0.000 1.104 301 M CB -0.299 32.272 32.600 -0.048 0.000 1.409 301 M HN 0.323 nan 8.290 nan 0.000 0.467 302 N N 0.890 119.661 118.700 0.119 0.000 2.738 302 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 302 N C -1.250 174.455 175.510 0.325 0.000 1.047 302 N CA -0.009 53.142 53.050 0.168 0.000 0.707 302 N CB -0.635 37.947 38.487 0.158 0.000 0.937 302 N HN 0.217 nan 8.380 nan 0.000 0.545 303 F N 1.660 121.672 119.950 0.103 0.000 2.366 303 F HA 0.481 5.007 4.527 -0.000 0.000 0.366 303 F C -0.254 175.560 175.800 0.023 0.000 1.096 303 F CA -1.061 57.073 58.000 0.222 0.000 1.060 303 F CB 1.138 40.295 39.000 0.262 0.000 1.282 303 F HN -0.014 nan 8.300 nan 0.000 0.450 304 S N 6.147 121.864 115.700 0.030 0.000 2.489 304 S HA 0.750 5.220 4.470 -0.000 0.000 0.291 304 S C -1.181 173.284 174.600 -0.225 0.000 1.151 304 S CA -0.317 57.696 58.200 -0.312 0.000 1.082 304 S CB 0.478 63.594 63.200 -0.141 0.000 1.019 304 S HN 0.630 nan 8.310 nan 0.000 0.492 305 W N 2.807 123.912 121.300 -0.325 0.000 3.029 305 W HA 0.719 5.378 4.660 -0.000 0.000 0.339 305 W C -1.135 175.324 176.519 -0.101 0.000 1.198 305 W CA -0.991 56.229 57.345 -0.208 0.000 1.148 305 W CB 0.810 30.080 29.460 -0.317 0.000 1.451 305 W HN 0.556 nan 8.180 nan 0.000 0.564 306 Q N 2.370 122.377 119.800 0.345 0.000 2.483 306 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 306 Q C -1.713 174.458 176.000 0.285 0.000 0.902 306 Q CA -0.388 55.582 55.803 0.277 0.000 0.767 306 Q CB 1.166 29.989 28.738 0.142 0.000 1.341 306 Q HN 0.722 nan 8.270 nan 0.000 0.453 307 L N 4.227 125.661 121.223 0.352 0.000 2.399 307 L HA 0.571 4.910 4.340 -0.000 0.000 0.266 307 L C -2.006 175.024 176.870 0.267 0.000 1.114 307 L CA -2.182 52.839 54.840 0.302 0.000 0.804 307 L CB 0.540 42.809 42.059 0.350 0.000 1.146 307 L HN 0.486 nan 8.230 nan 0.000 0.451 308 P HA 0.056 nan 4.420 nan 0.000 0.266 308 P C 0.713 178.009 177.300 -0.007 0.000 1.195 308 P CA 0.577 63.724 63.100 0.079 0.000 0.768 308 P CB 0.699 32.427 31.700 0.047 0.000 0.838 309 G N 0.524 109.272 108.800 -0.086 0.000 2.179 309 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 309 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 309 G C -0.443 174.219 174.900 -0.396 0.000 0.977 309 G CA -0.145 44.790 45.100 -0.275 0.000 0.641 309 G HN 0.456 nan 8.290 nan 0.000 0.533 310 Y N 1.016 121.350 120.300 0.057 0.000 2.462 310 Y HA 0.639 5.189 4.550 -0.000 0.000 0.346 310 Y C 0.792 176.728 175.900 0.061 0.000 0.976 310 Y CA -0.797 57.344 58.100 0.068 0.000 1.044 310 Y CB 1.851 40.384 38.460 0.121 0.000 1.230 310 Y HN 0.416 nan 8.280 nan 0.000 0.455 311 S N 2.536 118.364 115.700 0.214 0.000 2.617 311 S HA 0.308 4.778 4.470 -0.000 0.000 0.259 311 S C 0.221 174.873 174.600 0.088 0.000 1.301 311 S CA -0.932 57.336 58.200 0.113 0.000 0.984 311 S CB 0.651 63.892 63.200 0.068 0.000 0.954 311 S HN 0.765 nan 8.310 nan 0.000 0.572 312 R N -0.174 120.337 120.500 0.019 0.000 2.585 312 R HA 0.340 4.680 4.340 -0.000 0.000 0.275 312 R C 1.514 177.702 176.300 -0.187 0.000 1.018 312 R CA 1.147 57.212 56.100 -0.058 0.000 1.072 312 R CB -0.715 29.541 30.300 -0.074 0.000 0.953 312 R HN 1.347 nan 8.270 nan 0.000 0.419 313 G N 2.806 111.353 108.800 -0.422 0.000 2.196 313 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.268 313 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.268 313 G C 0.222 174.896 174.900 -0.376 0.000 0.975 313 G CA 0.508 45.139 45.100 -0.781 0.000 0.648 313 G HN 0.828 nan 8.290 nan 0.000 0.538 314 N N 0.435 119.079 118.700 -0.093 0.000 2.412 314 N HA 0.188 4.928 4.740 -0.000 0.000 0.254 314 N C 0.221 175.743 175.510 0.021 0.000 1.232 314 N CA 0.389 53.385 53.050 -0.090 0.000 0.880 314 N CB 0.067 38.541 38.487 -0.020 0.000 1.076 314 N HN 0.365 nan 8.380 nan 0.000 0.458 315 I N 5.278 125.817 120.570 -0.052 0.000 2.412 315 I HA 0.265 4.435 4.170 -0.000 0.000 0.279 315 I C -2.170 173.993 176.117 0.076 0.000 1.063 315 I CA -1.975 59.415 61.300 0.150 0.000 1.193 315 I CB 1.441 39.532 38.000 0.152 0.000 1.370 315 I HN 0.312 nan 8.210 nan 0.000 0.479 316 P HA 0.103 nan 4.420 nan 0.000 0.270 316 P C -2.409 174.922 177.300 0.051 0.000 1.223 316 P CA -1.064 62.011 63.100 -0.041 0.000 0.785 316 P CB -0.238 31.367 31.700 -0.159 0.000 0.923 317 P HA -0.028 nan 4.420 nan 0.000 0.264 317 P C 0.806 178.135 177.300 0.048 0.000 1.193 317 P CA 1.056 64.205 63.100 0.082 0.000 0.763 317 P CB 0.023 31.796 31.700 0.121 0.000 0.810 318 G N 2.138 110.951 108.800 0.022 0.000 2.162 318 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 318 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 318 G C 0.361 175.233 174.900 -0.046 0.000 0.976 318 G CA 0.416 45.508 45.100 -0.012 0.000 0.655 318 G HN 0.854 nan 8.290 nan 0.000 0.533 319 S N -0.418 115.248 115.700 -0.058 0.000 2.614 319 S HA 0.773 5.243 4.470 -0.000 0.000 0.265 319 S C 0.242 174.755 174.600 -0.146 0.000 1.303 319 S CA 0.651 58.728 58.200 -0.205 0.000 1.000 319 S CB 1.956 65.006 63.200 -0.250 0.000 0.935 319 S HN 1.974 nan 8.310 nan 0.000 0.551 320 S N 0.559 116.072 115.700 -0.313 0.000 2.541 320 S HA 0.577 5.047 4.470 -0.000 0.000 0.271 320 S C -1.077 173.471 174.600 -0.086 0.000 1.133 320 S CA -1.010 57.133 58.200 -0.095 0.000 0.876 320 S CB 0.949 64.133 63.200 -0.027 0.000 1.105 320 S HN 0.831 nan 8.310 nan 0.000 0.470 321 L N 2.662 123.958 121.223 0.122 0.000 2.295 321 L HA 0.760 5.099 4.340 -0.000 0.000 0.285 321 L C -1.372 175.494 176.870 -0.007 0.000 1.035 321 L CA -0.730 54.208 54.840 0.164 0.000 0.806 321 L CB 1.384 43.614 42.059 0.284 0.000 1.214 321 L HN 0.708 nan 8.230 nan 0.000 0.426 322 V N 5.877 125.668 119.914 -0.205 0.000 2.588 322 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 322 V C -0.282 175.641 176.094 -0.285 0.000 1.042 322 V CA -0.581 61.517 62.300 -0.336 0.000 0.877 322 V CB 2.080 33.448 31.823 -0.758 0.000 0.996 322 V HN 0.556 nan 8.190 nan 0.000 0.425 323 L N 4.173 125.328 121.223 -0.115 0.000 2.313 323 L HA 0.639 4.979 4.340 -0.000 0.000 0.283 323 L C -0.205 176.674 176.870 0.014 0.000 1.013 323 L CA -0.420 54.398 54.840 -0.036 0.000 0.816 323 L CB 1.738 43.791 42.059 -0.011 0.000 1.236 323 L HN 0.621 nan 8.230 nan 0.000 0.419 324 E N 2.999 123.269 120.200 0.116 0.000 2.176 324 E HA 0.378 4.728 4.350 -0.000 0.000 0.267 324 E C -0.851 175.854 176.600 0.175 0.000 0.893 324 E CA -0.802 55.660 56.400 0.104 0.000 0.761 324 E CB 2.698 32.573 29.700 0.292 0.000 1.133 324 E HN 0.356 nan 8.360 nan 0.000 0.409 325 R N 3.595 124.116 120.500 0.035 0.000 2.207 325 R HA 0.267 4.607 4.340 -0.000 0.000 0.334 325 R C -1.340 174.954 176.300 -0.011 0.000 1.013 325 R CA -0.343 55.842 56.100 0.141 0.000 0.858 325 R CB 0.575 30.930 30.300 0.092 0.000 1.094 325 R HN 0.457 nan 8.270 nan 0.000 0.457 326 W N 3.147 124.576 121.300 0.214 0.000 2.578 326 W HA 0.487 5.147 4.660 -0.000 0.000 0.353 326 W C 0.109 176.821 176.519 0.322 0.000 1.088 326 W CA -0.710 56.779 57.345 0.241 0.000 1.235 326 W CB 1.294 30.885 29.460 0.219 0.000 1.362 326 W HN 0.287 nan 8.180 nan 0.000 0.592 327 R N 1.967 122.831 120.500 0.607 0.000 2.621 327 R HA 0.146 4.486 4.340 -0.000 0.000 0.292 327 R C -1.143 175.461 176.300 0.505 0.000 0.969 327 R CA -0.693 55.683 56.100 0.460 0.000 0.887 327 R CB 1.509 31.942 30.300 0.221 0.000 1.180 327 R HN 0.471 nan 8.270 nan 0.000 0.450 328 D N 3.321 123.954 120.400 0.388 0.000 2.325 328 D HA 0.100 4.740 4.640 -0.000 0.000 0.251 328 D C 0.870 177.143 176.300 -0.045 0.000 1.196 328 D CA 0.236 54.211 54.000 -0.042 0.000 0.866 328 D CB 1.726 42.459 40.800 -0.112 0.000 1.101 328 D HN 0.667 nan 8.370 nan 0.000 0.476 329 A N 5.598 128.354 122.820 -0.107 0.000 1.903 329 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 329 A C 2.023 179.564 177.584 -0.071 0.000 1.191 329 A CA 1.676 53.675 52.037 -0.064 0.000 0.638 329 A CB -0.239 18.716 19.000 -0.075 0.000 0.823 329 A HN 0.693 nan 8.150 nan 0.000 0.451 330 K N -0.086 120.242 120.400 -0.121 0.000 1.985 330 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 330 K C 2.441 179.013 176.600 -0.047 0.000 1.047 330 K CA 1.954 58.189 56.287 -0.086 0.000 0.932 330 K CB -0.285 32.149 32.500 -0.110 0.000 0.716 330 K HN 0.655 nan 8.250 nan 0.000 0.439 331 S N -1.124 114.553 115.700 -0.037 0.000 2.470 331 S HA 0.142 4.612 4.470 -0.000 0.000 0.222 331 S C 1.658 176.272 174.600 0.023 0.000 1.024 331 S CA 0.461 58.664 58.200 0.004 0.000 0.931 331 S CB 0.471 63.691 63.200 0.033 0.000 0.791 331 S HN 0.501 nan 8.310 nan 0.000 0.513 332 G N 1.105 109.925 108.800 0.035 0.000 2.179 332 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 332 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 332 G C -0.135 174.807 174.900 0.070 0.000 0.977 332 G CA 0.266 45.393 45.100 0.046 0.000 0.641 332 G HN 0.610 nan 8.290 nan 0.000 0.533 333 E N 0.203 120.467 120.200 0.105 0.000 2.436 333 E HA 0.342 4.691 4.350 -0.000 0.000 0.262 333 E C 0.741 177.416 176.600 0.124 0.000 1.063 333 E CA 0.246 56.693 56.400 0.078 0.000 0.944 333 E CB 0.393 30.154 29.700 0.103 0.000 0.950 333 E HN 0.388 nan 8.360 nan 0.000 0.444 334 R N 1.409 121.886 120.500 -0.038 0.000 2.664 334 R HA 0.430 4.770 4.340 -0.000 0.000 0.286 334 R C -1.267 175.017 176.300 -0.027 0.000 0.967 334 R CA -0.462 55.663 56.100 0.042 0.000 0.933 334 R CB 0.982 31.187 30.300 -0.159 0.000 1.146 334 R HN 0.412 nan 8.270 nan 0.000 0.468 335 Y N 1.238 121.761 120.300 0.371 0.000 2.524 335 Y HA 0.421 4.971 4.550 -0.000 0.000 0.347 335 Y C -0.884 175.302 175.900 0.478 0.000 1.005 335 Y CA -1.006 57.328 58.100 0.391 0.000 1.025 335 Y CB 1.712 40.335 38.460 0.272 0.000 1.275 335 Y HN 0.300 nan 8.280 nan 0.000 0.460 336 L N 3.255 124.805 121.223 0.545 0.000 2.317 336 L HA 0.631 4.971 4.340 -0.000 0.000 0.281 336 L C -0.603 176.498 176.870 0.385 0.000 1.024 336 L CA -0.625 54.471 54.840 0.427 0.000 0.810 336 L CB 1.290 43.455 42.059 0.177 0.000 1.240 336 L HN 0.722 nan 8.230 nan 0.000 0.427 337 R N 3.919 124.666 120.500 0.413 0.000 2.437 337 R HA 0.779 5.119 4.340 -0.000 0.000 0.310 337 R C -1.940 174.550 176.300 0.316 0.000 0.955 337 R CA -0.568 55.753 56.100 0.368 0.000 0.851 337 R CB 1.460 32.015 30.300 0.426 0.000 1.161 337 R HN 0.509 nan 8.270 nan 0.000 0.446 338 V N 5.925 126.007 119.914 0.279 0.000 2.540 338 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 338 V C -1.247 174.990 176.094 0.238 0.000 1.035 338 V CA -0.674 61.688 62.300 0.103 0.000 0.873 338 V CB 1.242 32.992 31.823 -0.122 0.000 0.992 338 V HN 0.846 nan 8.190 nan 0.000 0.428 339 Y N 2.916 123.320 120.300 0.172 0.000 2.624 339 Y HA 0.779 5.329 4.550 -0.000 0.000 0.334 339 Y C -1.689 174.402 175.900 0.319 0.000 1.155 339 Y CA -1.681 56.593 58.100 0.289 0.000 1.046 339 Y CB 1.454 40.020 38.460 0.176 0.000 1.316 339 Y HN 0.503 nan 8.280 nan 0.000 0.457 340 F N 3.990 124.091 119.950 0.250 0.000 2.443 340 F HA 0.622 5.149 4.527 -0.000 0.000 0.335 340 F C -0.746 174.970 175.800 -0.140 0.000 1.104 340 F CA -0.498 57.340 58.000 -0.269 0.000 1.013 340 F CB 1.677 39.880 39.000 -1.328 0.000 1.136 340 F HN 0.730 nan 8.300 nan 0.000 0.470 341 Q N 5.133 124.429 119.800 -0.840 0.000 2.397 341 Q HA 0.917 5.257 4.340 -0.000 0.000 0.275 341 Q C -2.058 173.455 176.000 -0.811 0.000 1.090 341 Q CA -1.244 54.219 55.803 -0.567 0.000 0.809 341 Q CB 2.463 31.108 28.738 -0.156 0.000 1.362 341 Q HN 0.920 nan 8.270 nan 0.000 0.431 342 A N 1.443 123.986 122.820 -0.462 0.000 2.581 342 A HA 0.484 4.803 4.320 -0.000 0.000 0.290 342 A C -1.551 175.986 177.584 -0.079 0.000 1.119 342 A CA -0.837 51.020 52.037 -0.301 0.000 0.670 342 A CB 1.834 20.631 19.000 -0.338 0.000 1.280 342 A HN 0.737 nan 8.150 nan 0.000 0.425 343 Q N 0.010 119.819 119.800 0.015 0.000 2.214 343 Q HA 0.515 4.855 4.340 -0.000 0.000 0.251 343 Q C 0.603 176.758 176.000 0.259 0.000 0.936 343 Q CA -0.301 55.562 55.803 0.100 0.000 0.894 343 Q CB 1.711 30.495 28.738 0.076 0.000 1.252 343 Q HN 0.997 nan 8.270 nan 0.000 0.448 344 G N 0.519 109.451 108.800 0.219 0.000 2.684 344 G HA2 0.119 4.078 3.960 -0.000 0.000 0.255 344 G HA3 0.119 4.078 3.960 -0.000 0.000 0.255 344 G C 0.686 175.695 174.900 0.181 0.000 1.219 344 G CA -0.358 44.847 45.100 0.174 0.000 0.901 344 G HN 0.645 nan 8.290 nan 0.000 0.548 345 L N -0.418 120.838 121.223 0.055 0.000 2.017 345 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 345 L C 2.372 179.476 176.870 0.391 0.000 1.073 345 L CA 1.276 56.260 54.840 0.239 0.000 0.745 345 L CB -0.170 41.923 42.059 0.055 0.000 0.894 345 L HN 0.409 nan 8.230 nan 0.000 0.432 346 D N -0.548 120.033 120.400 0.301 0.000 2.234 346 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 346 D C 1.758 178.128 176.300 0.117 0.000 0.962 346 D CA 0.805 54.961 54.000 0.261 0.000 0.855 346 D CB -0.103 40.826 40.800 0.215 0.000 0.951 346 D HN 0.262 nan 8.370 nan 0.000 0.500 347 D N 0.404 120.866 120.400 0.104 0.000 2.117 347 D HA -0.079 4.560 4.640 -0.000 0.000 0.197 347 D C 2.377 178.710 176.300 0.054 0.000 0.987 347 D CA 0.379 54.404 54.000 0.042 0.000 0.829 347 D CB -0.241 40.594 40.800 0.058 0.000 0.961 347 D HN 0.222 nan 8.370 nan 0.000 0.460 348 L N 0.347 121.643 121.223 0.123 0.000 2.012 348 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 348 L C 2.675 179.667 176.870 0.203 0.000 1.073 348 L CA 1.113 56.047 54.840 0.158 0.000 0.748 348 L CB -0.321 41.870 42.059 0.219 0.000 0.891 348 L HN -0.022 nan 8.230 nan 0.000 0.431 349 R N 0.436 121.000 120.500 0.106 0.000 2.105 349 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 349 R C 2.160 178.472 176.300 0.019 0.000 1.135 349 R CA 1.431 57.497 56.100 -0.056 0.000 0.967 349 R CB -0.014 30.048 30.300 -0.397 0.000 0.861 349 R HN 0.265 nan 8.270 nan 0.000 0.442 350 R N 0.247 120.742 120.500 -0.008 0.000 2.310 350 R HA 0.145 4.485 4.340 -0.000 0.000 0.202 350 R C 0.390 176.656 176.300 -0.056 0.000 0.933 350 R CA 0.125 56.199 56.100 -0.043 0.000 1.054 350 R CB 0.061 30.313 30.300 -0.080 0.000 0.985 350 R HN 0.191 nan 8.270 nan 0.000 0.489 351 L N 1.703 122.889 121.223 -0.061 0.000 3.742 351 L HA -0.247 4.093 4.340 -0.000 0.000 0.431 351 L C -0.131 176.675 176.870 -0.108 0.000 1.220 351 L CA 0.050 54.804 54.840 -0.143 0.000 0.863 351 L CB -1.297 40.630 42.059 -0.219 0.000 1.751 351 L HN 0.290 nan 8.230 nan 0.000 0.922 352 Q N 1.054 120.796 119.800 -0.097 0.000 2.255 352 Q HA 0.114 4.454 4.340 -0.000 0.000 0.280 352 Q C 0.589 176.538 176.000 -0.084 0.000 1.068 352 Q CA 0.897 56.623 55.803 -0.128 0.000 0.911 352 Q CB 1.005 29.638 28.738 -0.175 0.000 1.157 352 Q HN 0.199 nan 8.270 nan 0.000 0.380 353 T N 7.230 121.739 114.554 -0.075 0.000 2.752 353 T HA 0.324 4.674 4.350 -0.000 0.000 0.295 353 T C -2.291 172.396 174.700 -0.023 0.000 0.923 353 T CA -1.712 60.360 62.100 -0.046 0.000 1.112 353 T CB 0.299 69.144 68.868 -0.038 0.000 0.884 353 T HN 0.521 nan 8.240 nan 0.000 0.525 354 P HA 0.276 nan 4.420 nan 0.000 0.267 354 P C -0.980 176.316 177.300 -0.007 0.000 1.205 354 P CA 0.047 63.143 63.100 -0.006 0.000 0.765 354 P CB 0.686 32.363 31.700 -0.039 0.000 0.828 355 D N 1.515 121.928 120.400 0.021 0.000 2.838 355 D HA 0.343 4.983 4.640 -0.000 0.000 0.334 355 D C 1.069 177.366 176.300 -0.005 0.000 1.315 355 D CA -0.575 53.430 54.000 0.008 0.000 0.917 355 D CB -0.182 40.636 40.800 0.029 0.000 1.435 355 D HN 0.155 nan 8.370 nan 0.000 0.517 356 A N -0.093 122.716 122.820 -0.018 0.000 1.873 356 A HA -0.339 3.981 4.320 -0.000 0.000 0.219 356 A C 1.970 179.511 177.584 -0.072 0.000 1.269 356 A CA 3.077 55.090 52.037 -0.040 0.000 0.671 356 A CB -1.367 17.613 19.000 -0.033 0.000 0.842 356 A HN 0.672 nan 8.150 nan 0.000 0.460 357 Q N -1.635 118.106 119.800 -0.098 0.000 2.369 357 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 357 Q C -0.328 175.365 176.000 -0.512 0.000 0.963 357 Q CA 1.019 56.654 55.803 -0.280 0.000 0.894 357 Q CB 0.068 28.623 28.738 -0.306 0.000 0.965 357 Q HN 0.882 nan 8.270 nan 0.000 0.475 358 H N -0.036 119.021 119.070 -0.021 0.000 2.439 358 H HA 0.293 4.849 4.556 -0.000 0.000 0.228 358 H C -2.467 172.844 175.328 -0.028 0.000 1.423 358 H CA -1.911 54.127 56.048 -0.017 0.000 1.386 358 H CB 0.832 30.587 29.762 -0.011 0.000 1.641 358 H HN 0.210 nan 8.280 nan 0.000 0.508 359 P HA 0.016 nan 4.420 nan 0.000 0.274 359 P C 0.299 177.591 177.300 -0.014 0.000 1.231 359 P CA -0.472 62.618 63.100 -0.017 0.000 0.790 359 P CB 0.994 32.665 31.700 -0.049 0.000 0.951 360 M N 1.509 121.077 119.600 -0.053 0.000 2.248 360 M HA 0.024 4.504 4.480 -0.000 0.000 0.343 360 M C 0.540 176.808 176.300 -0.054 0.000 1.243 360 M CA 0.566 55.828 55.300 -0.063 0.000 1.025 360 M CB -0.732 31.799 32.600 -0.114 0.000 1.759 360 M HN 0.268 nan 8.290 nan 0.000 0.452 361 L N 3.352 124.560 121.223 -0.024 0.000 2.426 361 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 361 L C 0.407 177.239 176.870 -0.063 0.000 1.169 361 L CA 0.057 54.895 54.840 -0.004 0.000 0.836 361 L CB 0.314 42.421 42.059 0.080 0.000 1.112 361 L HN 0.651 nan 8.230 nan 0.000 0.465 362 R N 1.975 122.454 120.500 -0.036 0.000 2.594 362 R HA 0.375 4.715 4.340 -0.000 0.000 0.265 362 R C -1.623 174.706 176.300 0.048 0.000 1.070 362 R CA -0.609 55.467 56.100 -0.040 0.000 0.909 362 R CB 1.963 32.188 30.300 -0.125 0.000 1.243 362 R HN 0.688 nan 8.270 nan 0.000 0.455 363 Q N 2.423 122.311 119.800 0.147 0.000 2.305 363 Q HA 0.287 4.626 4.340 -0.000 0.000 0.271 363 Q C -1.349 174.912 176.000 0.435 0.000 1.046 363 Q CA -0.694 55.264 55.803 0.258 0.000 0.798 363 Q CB 2.096 31.023 28.738 0.315 0.000 1.286 363 Q HN 0.615 nan 8.270 nan 0.000 0.435 364 E N 2.154 122.556 120.200 0.336 0.000 2.277 364 E HA 0.143 4.493 4.350 -0.000 0.000 0.274 364 E C -1.182 175.634 176.600 0.360 0.000 1.022 364 E CA -0.507 56.099 56.400 0.343 0.000 0.853 364 E CB 1.236 31.031 29.700 0.158 0.000 1.086 364 E HN 0.480 nan 8.360 nan 0.000 0.397 365 W N 4.262 125.505 121.300 -0.095 0.000 2.251 365 W HA 0.162 4.822 4.660 -0.000 0.000 0.329 365 W C -0.164 176.295 176.519 -0.100 0.000 1.234 365 W CA -0.292 56.848 57.345 -0.342 0.000 1.228 365 W CB 0.620 29.479 29.460 -1.001 0.000 1.135 365 W HN 0.487 nan 8.180 nan 0.000 0.576 366 R N 4.353 124.283 120.500 -0.949 0.000 2.764 366 R HA 0.689 5.029 4.340 -0.000 0.000 0.270 366 R C -1.578 174.049 176.300 -1.123 0.000 1.014 366 R CA -0.950 54.641 56.100 -0.849 0.000 0.904 366 R CB 1.943 32.033 30.300 -0.349 0.000 1.236 366 R HN 0.755 nan 8.270 nan 0.000 0.466 367 Q N -0.236 119.117 119.800 -0.746 0.000 2.687 367 Q HA 0.510 4.850 4.340 -0.000 0.000 0.295 367 Q C -3.013 172.844 176.000 -0.238 0.000 0.920 367 Q CA -2.033 53.490 55.803 -0.467 0.000 0.766 367 Q CB 1.544 30.003 28.738 -0.466 0.000 1.467 367 Q HN 0.404 nan 8.270 nan 0.000 0.415 368 P HA 0.190 nan 4.420 nan 0.000 0.265 368 P C 0.496 177.771 177.300 -0.042 0.000 1.193 368 P CA 1.673 64.733 63.100 -0.068 0.000 0.765 368 P CB 0.584 32.264 31.700 -0.035 0.000 0.823 369 G N 0.999 109.789 108.800 -0.017 0.000 2.313 369 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 369 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 369 G C 0.297 175.223 174.900 0.045 0.000 1.023 369 G CA -0.205 44.910 45.100 0.025 0.000 0.626 369 G HN 0.680 nan 8.290 nan 0.000 0.503 370 c N 2.814 121.409 118.600 -0.008 0.000 2.679 370 c HA 0.608 5.178 4.570 -0.000 0.000 0.417 370 c C 0.997 175.078 174.090 -0.014 0.000 1.302 370 c CA -0.132 56.197 56.329 -0.001 0.000 1.973 370 c CB 0.073 42.529 42.510 -0.092 0.000 2.715 370 c HN 0.507 nan 8.230 nan 0.000 0.628 371 R N 1.491 121.971 120.500 -0.034 0.000 2.637 371 R HA 0.421 4.761 4.340 -0.000 0.000 0.291 371 R C -0.722 175.474 176.300 -0.173 0.000 0.963 371 R CA -0.703 55.349 56.100 -0.080 0.000 0.901 371 R CB 1.471 31.740 30.300 -0.052 0.000 1.160 371 R HN 0.626 nan 8.270 nan 0.000 0.457 372 Q N 1.678 121.395 119.800 -0.139 0.000 2.288 372 Q HA 0.182 4.522 4.340 -0.000 0.000 0.258 372 Q C -0.684 175.193 176.000 -0.204 0.000 0.957 372 Q CA 0.258 55.960 55.803 -0.167 0.000 0.919 372 Q CB 1.092 29.767 28.738 -0.106 0.000 1.185 372 Q HN 0.755 nan 8.270 nan 0.000 0.408 373 T N -0.377 113.986 114.554 -0.317 0.000 2.883 373 T HA 0.341 4.691 4.350 -0.000 0.000 0.296 373 T C 0.123 174.634 174.700 -0.316 0.000 1.117 373 T CA -0.774 61.103 62.100 -0.372 0.000 1.006 373 T CB 0.987 69.286 68.868 -0.948 0.000 1.191 373 T HN 0.410 nan 8.240 nan 0.000 0.508 374 D N 0.470 120.761 120.400 -0.182 0.000 2.203 374 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 374 D C 1.926 178.091 176.300 -0.225 0.000 0.997 374 D CA 1.925 55.854 54.000 -0.119 0.000 0.863 374 D CB -0.244 40.577 40.800 0.034 0.000 0.928 374 D HN 0.613 nan 8.370 nan 0.000 0.458 375 V N -4.266 115.364 119.914 -0.473 0.000 3.542 375 V HA 0.637 4.757 4.120 -0.000 0.000 0.296 375 V C 0.873 176.639 176.094 -0.546 0.000 1.364 375 V CA 0.541 62.517 62.300 -0.540 0.000 1.118 375 V CB 0.092 31.286 31.823 -1.049 0.000 0.972 375 V HN 0.241 nan 8.190 nan 0.000 0.430 376 G N 0.029 108.536 108.800 -0.487 0.000 2.298 376 G HA2 0.047 4.007 3.960 -0.000 0.000 0.309 376 G HA3 0.047 4.007 3.960 -0.000 0.000 0.309 376 G C -0.512 174.159 174.900 -0.382 0.000 1.279 376 G CA -0.300 44.583 45.100 -0.362 0.000 1.042 376 G HN 0.356 nan 8.290 nan 0.000 0.480 377 T N 1.208 115.617 114.554 -0.241 0.000 2.727 377 T HA 0.549 4.899 4.350 -0.000 0.000 0.298 377 T C -0.278 174.318 174.700 -0.173 0.000 0.942 377 T CA 0.088 62.073 62.100 -0.191 0.000 0.997 377 T CB 0.761 69.574 68.868 -0.091 0.000 0.917 377 T HN 0.486 nan 8.240 nan 0.000 0.487 378 L N 4.091 125.149 121.223 -0.274 0.000 2.305 378 L HA 0.453 4.793 4.340 -0.000 0.000 0.284 378 L C -0.296 176.634 176.870 0.100 0.000 1.013 378 L CA -0.348 54.372 54.840 -0.201 0.000 0.819 378 L CB 1.014 42.646 42.059 -0.712 0.000 1.227 378 L HN 0.737 nan 8.230 nan 0.000 0.417 379 c N 4.494 123.281 118.600 0.312 0.000 2.382 379 c HA 0.539 5.109 4.570 -0.000 0.000 0.327 379 c C -2.170 172.158 174.090 0.397 0.000 1.250 379 c CA -1.714 54.818 56.329 0.338 0.000 1.707 379 c CB 1.233 43.914 42.510 0.285 0.000 2.272 379 c HN 0.574 nan 8.230 nan 0.000 0.506 380 P HA -0.075 nan 4.420 nan 0.000 0.263 380 P C 0.437 177.781 177.300 0.074 0.000 1.168 380 P CA 0.455 63.536 63.100 -0.030 0.000 0.759 380 P CB 0.218 31.923 31.700 0.009 0.000 0.782 381 F N 3.386 123.282 119.950 -0.091 0.000 2.084 381 F HA -0.223 4.304 4.527 -0.000 0.000 0.296 381 F C 2.296 178.108 175.800 0.020 0.000 1.111 381 F CA 1.761 59.764 58.000 0.006 0.000 1.224 381 F CB -0.351 38.645 39.000 -0.007 0.000 0.991 381 F HN 0.228 nan 8.300 nan 0.000 0.471 382 Q N 0.906 120.774 119.800 0.114 0.000 2.046 382 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 382 Q C 2.263 178.236 176.000 -0.045 0.000 0.975 382 Q CA 2.038 57.854 55.803 0.021 0.000 0.836 382 Q CB -0.934 27.866 28.738 0.102 0.000 0.896 382 Q HN 0.456 nan 8.270 nan 0.000 0.428 383 A N 0.287 123.111 122.820 0.007 0.000 1.948 383 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 383 A C 2.242 179.854 177.584 0.046 0.000 1.177 383 A CA 2.269 54.326 52.037 0.033 0.000 0.636 383 A CB -1.148 17.887 19.000 0.059 0.000 0.815 383 A HN 0.498 nan 8.150 nan 0.000 0.449 384 A N -0.128 122.706 122.820 0.023 0.000 1.841 384 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 384 A C 2.019 179.503 177.584 -0.167 0.000 1.195 384 A CA 1.480 53.544 52.037 0.046 0.000 0.611 384 A CB -0.523 18.508 19.000 0.052 0.000 0.835 384 A HN 0.377 nan 8.150 nan 0.000 0.443 385 I N 0.545 120.916 120.570 -0.332 0.000 2.194 385 I HA -0.224 3.946 4.170 -0.000 0.000 0.246 385 I C 2.545 178.553 176.117 -0.182 0.000 1.093 385 I CA 2.155 63.252 61.300 -0.338 0.000 1.355 385 I CB -1.919 35.818 38.000 -0.439 0.000 1.046 385 I HN 0.274 nan 8.210 nan 0.000 0.413 386 T N 1.257 115.743 114.554 -0.114 0.000 2.652 386 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 386 T C 2.042 176.725 174.700 -0.027 0.000 1.039 386 T CA 1.744 63.813 62.100 -0.051 0.000 1.153 386 T CB -0.348 68.510 68.868 -0.016 0.000 0.863 386 T HN 0.474 nan 8.240 nan 0.000 0.428 387 A N 1.209 124.036 122.820 0.010 0.000 1.902 387 A HA 0.018 4.337 4.320 -0.000 0.000 0.217 387 A C 2.266 179.847 177.584 -0.005 0.000 1.181 387 A CA 1.238 53.318 52.037 0.072 0.000 0.623 387 A CB -0.834 18.313 19.000 0.244 0.000 0.818 387 A HN 0.504 nan 8.150 nan 0.000 0.443 388 L N -1.077 120.054 121.223 -0.152 0.000 2.291 388 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 388 L C 2.437 179.220 176.870 -0.144 0.000 1.120 388 L CA 0.835 55.520 54.840 -0.257 0.000 0.799 388 L CB -0.380 41.409 42.059 -0.450 0.000 0.925 388 L HN 0.490 nan 8.230 nan 0.000 0.446 389 G N -1.838 106.899 108.800 -0.104 0.000 2.921 389 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.213 389 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.213 389 G C 1.285 176.162 174.900 -0.039 0.000 1.143 389 G CA -0.227 44.830 45.100 -0.071 0.000 0.764 389 G HN 0.213 nan 8.290 nan 0.000 0.542 390 Q N 0.039 119.825 119.800 -0.023 0.000 2.146 390 Q HA -0.253 4.087 4.340 -0.000 0.000 0.217 390 Q C 2.354 178.353 176.000 -0.001 0.000 1.023 390 Q CA 1.807 57.608 55.803 -0.002 0.000 0.903 390 Q CB -0.114 28.634 28.738 0.018 0.000 0.990 390 Q HN 0.351 nan 8.270 nan 0.000 0.413 391 R N -0.235 120.263 120.500 -0.003 0.000 2.310 391 R HA 0.193 4.533 4.340 -0.000 0.000 0.202 391 R C 0.209 176.502 176.300 -0.012 0.000 0.933 391 R CA -0.298 55.803 56.100 0.000 0.000 1.054 391 R CB 0.228 30.532 30.300 0.007 0.000 0.985 391 R HN 0.227 nan 8.270 nan 0.000 0.489 392 I N 1.799 122.356 120.570 -0.021 0.000 2.752 392 I HA -0.138 4.032 4.170 -0.000 0.000 0.289 392 I C 0.197 176.300 176.117 -0.023 0.000 1.197 392 I CA 0.425 61.708 61.300 -0.029 0.000 1.432 392 I CB 0.274 38.254 38.000 -0.033 0.000 1.359 392 I HN -0.010 nan 8.210 nan 0.000 0.571 393 D N 6.524 126.905 120.400 -0.031 0.000 2.380 393 D HA 0.137 4.777 4.640 -0.000 0.000 0.230 393 D C 1.226 177.510 176.300 -0.027 0.000 1.154 393 D CA -0.383 53.603 54.000 -0.024 0.000 0.859 393 D CB 0.738 41.518 40.800 -0.034 0.000 1.045 393 D HN 0.290 nan 8.370 nan 0.000 0.495 394 R N 3.747 124.235 120.500 -0.019 0.000 2.091 394 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 394 R C -0.822 175.465 176.300 -0.022 0.000 1.136 394 R CA 1.243 57.330 56.100 -0.021 0.000 0.959 394 R CB -1.503 28.788 30.300 -0.015 0.000 0.856 394 R HN 0.503 nan 8.270 nan 0.000 0.437 395 P HA -0.013 nan 4.420 nan 0.000 0.225 395 P C 0.512 177.800 177.300 -0.020 0.000 1.148 395 P CA 1.224 64.317 63.100 -0.013 0.000 0.779 395 P CB 0.136 31.836 31.700 -0.001 0.000 0.780 396 S N -1.369 114.313 115.700 -0.031 0.000 2.557 396 S HA 0.343 4.812 4.470 -0.000 0.000 0.223 396 S C 1.010 175.578 174.600 -0.054 0.000 0.969 396 S CA -0.069 58.106 58.200 -0.042 0.000 0.927 396 S CB 0.130 63.294 63.200 -0.061 0.000 0.806 396 S HN 0.091 nan 8.310 nan 0.000 0.489 397 A N 3.349 126.138 122.820 -0.051 0.000 3.215 397 A HA 0.492 4.812 4.320 -0.000 0.000 0.320 397 A C -2.648 174.897 177.584 -0.064 0.000 1.084 397 A CA -1.443 50.557 52.037 -0.061 0.000 0.969 397 A CB -0.018 18.950 19.000 -0.053 0.000 1.064 397 A HN 0.159 nan 8.150 nan 0.000 0.513 398 P HA 0.343 nan 4.420 nan 0.000 0.272 398 P C 0.152 177.398 177.300 -0.090 0.000 1.223 398 P CA 0.030 63.085 63.100 -0.074 0.000 0.784 398 P CB 0.989 32.642 31.700 -0.080 0.000 0.923 399 A N 2.028 124.801 122.820 -0.078 0.000 2.477 399 A HA 0.419 4.739 4.320 -0.000 0.000 0.246 399 A C 0.377 177.898 177.584 -0.106 0.000 1.078 399 A CA -0.298 51.690 52.037 -0.082 0.000 0.770 399 A CB -0.276 18.685 19.000 -0.065 0.000 1.011 399 A HN 0.473 nan 8.150 nan 0.000 0.494 400 V N 0.388 120.230 119.914 -0.120 0.000 2.495 400 V HA 0.786 4.906 4.120 -0.000 0.000 0.298 400 V C 0.388 176.413 176.094 -0.115 0.000 1.031 400 V CA -0.495 61.722 62.300 -0.138 0.000 0.871 400 V CB 0.978 32.689 31.823 -0.186 0.000 0.988 400 V HN 1.585 nan 8.190 nan 0.000 0.432 401 A N 5.293 128.049 122.820 -0.106 0.000 2.496 401 A HA 0.337 4.657 4.320 -0.000 0.000 0.278 401 A C 0.962 178.477 177.584 -0.114 0.000 1.137 401 A CA 0.248 52.223 52.037 -0.105 0.000 0.805 401 A CB -0.100 18.844 19.000 -0.092 0.000 1.077 401 A HN 1.268 nan 8.150 nan 0.000 0.513 402 M N 4.168 123.690 119.600 -0.131 0.000 2.229 402 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 402 M C 0.500 176.693 176.300 -0.178 0.000 1.063 402 M CA 1.523 56.749 55.300 -0.123 0.000 1.114 402 M CB -0.208 32.319 32.600 -0.123 0.000 1.387 402 M HN 0.326 nan 8.290 nan 0.000 0.420 403 V N 2.814 122.531 119.914 -0.328 0.000 2.415 403 V HA 0.120 4.240 4.120 -0.000 0.000 0.267 403 V C 0.405 176.419 176.094 -0.134 0.000 1.042 403 V CA -0.423 61.617 62.300 -0.433 0.000 1.000 403 V CB -0.418 31.112 31.823 -0.489 0.000 1.015 403 V HN 0.283 nan 8.190 nan 0.000 0.478 404 L N 7.167 128.407 121.223 0.028 0.000 2.472 404 L HA 0.310 4.650 4.340 -0.000 0.000 0.260 404 L C -1.449 175.412 176.870 -0.014 0.000 1.209 404 L CA -1.345 53.510 54.840 0.026 0.000 0.817 404 L CB -0.071 42.039 42.059 0.085 0.000 1.106 404 L HN 0.457 nan 8.230 nan 0.000 0.479 405 P HA 0.124 nan 4.420 nan 0.000 0.280 405 P C -0.896 176.397 177.300 -0.010 0.000 1.278 405 P CA -0.394 62.694 63.100 -0.020 0.000 0.787 405 P CB 0.343 32.032 31.700 -0.019 0.000 1.163 406 K N 0.000 120.393 120.400 -0.011 0.000 2.780 406 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 406 K CA 0.000 56.288 56.287 0.001 0.000 0.838 406 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 406 K HN 0.000 nan 8.250 nan 0.000 0.543