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 1cx2_1_B DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.632 177.584 0.081 0.000 1.274 33 A CA 0.000 52.085 52.037 0.081 0.000 0.836 33 A CB 0.000 19.071 19.000 0.119 0.000 0.831 34 N N 3.024 121.765 118.700 0.067 0.000 1.939 34 N HA -0.116 nan 4.740 nan 0.000 0.301 34 N C 0.010 175.542 175.510 0.036 0.000 1.353 34 N CA -1.157 51.923 53.050 0.049 0.000 0.851 34 N CB 0.101 38.601 38.487 0.022 0.000 1.153 34 N HN -0.234 8.397 8.380 0.065 -0.212 0.496 35 P HA -0.169 nan 4.420 nan 0.000 0.223 35 P C -0.225 177.034 177.300 -0.068 0.000 1.144 35 P CA 1.688 64.824 63.100 0.061 0.000 0.783 35 P CB -0.059 31.745 31.700 0.173 0.000 0.771 36 c N -2.652 115.909 118.600 -0.065 0.000 2.697 36 c HA 0.183 nan 4.570 nan 0.000 0.267 36 c C 2.430 176.438 174.090 -0.138 0.000 1.278 36 c CA 0.526 56.761 56.329 -0.156 0.000 1.708 36 c CB -1.974 40.495 42.510 -0.069 0.000 1.860 36 c HN 0.165 8.728 8.230 -0.005 -0.335 0.589 37 c N 2.052 120.598 118.600 -0.090 0.000 2.393 37 c HA -0.348 nan 4.570 nan 0.000 0.276 37 c C 0.880 174.917 174.090 -0.087 0.000 1.215 37 c CA 4.090 60.379 56.329 -0.066 0.000 1.743 37 c CB -0.948 41.542 42.510 -0.034 0.000 2.044 37 c HN 0.180 8.182 8.230 -0.065 0.189 0.464 38 S N -1.434 114.197 115.700 -0.114 0.000 2.723 38 S HA -0.175 nan 4.470 nan 0.000 0.231 38 S C -0.290 174.217 174.600 -0.156 0.000 0.967 38 S CA 0.604 58.732 58.200 -0.120 0.000 0.958 38 S CB -0.445 62.685 63.200 -0.118 0.000 0.778 38 S HN -0.042 8.195 8.310 -0.121 0.000 0.537 39 N N 0.145 118.741 118.700 -0.173 0.000 2.701 39 N HA -0.289 nan 4.740 nan 0.000 0.250 39 N C -1.787 173.609 175.510 -0.189 0.000 1.046 39 N CA 0.573 53.522 53.050 -0.169 0.000 0.733 39 N CB -1.425 36.988 38.487 -0.124 0.000 0.973 39 N HN -0.285 7.805 8.380 -0.164 0.192 0.541 40 P HA -0.185 nan 4.420 nan 0.000 0.217 40 P C -0.165 177.081 177.300 -0.090 0.000 1.162 40 P CA 0.906 63.847 63.100 -0.266 0.000 0.901 40 P CB 0.372 31.619 31.700 -0.754 0.000 0.793 41 c N -0.853 117.716 118.600 -0.053 0.000 2.648 41 c HA -0.027 nan 4.570 nan 0.000 0.406 41 c C 0.359 174.426 174.090 -0.037 0.000 1.406 41 c CA -0.603 55.741 56.329 0.026 0.000 1.610 41 c CB -1.600 40.951 42.510 0.068 0.000 2.451 41 c HN -0.216 7.939 8.230 -0.125 0.000 0.608 42 Q N 4.916 124.683 119.800 -0.055 0.000 2.199 42 Q HA 0.150 nan 4.340 nan 0.000 0.205 42 Q C 0.232 176.155 176.000 -0.127 0.000 1.001 42 Q CA -1.768 53.966 55.803 -0.116 0.000 1.019 42 Q CB 1.494 30.131 28.738 -0.168 0.000 1.132 42 Q HN 0.775 8.916 8.270 -0.033 0.108 0.530 43 N N -1.415 117.169 118.700 -0.194 0.000 2.678 43 N HA -0.428 nan 4.740 nan 0.000 0.250 43 N C -0.561 174.947 175.510 -0.004 0.000 1.136 43 N CA 1.946 54.895 53.050 -0.168 0.000 0.757 43 N CB -0.814 37.448 38.487 -0.375 0.000 1.135 43 N HN 0.630 8.882 8.380 -0.213 0.000 0.565 44 R N -9.425 111.062 120.500 -0.022 0.000 3.004 44 R HA -0.264 nan 4.340 nan 0.000 0.465 44 R C -0.138 176.182 176.300 0.034 0.000 0.527 44 R CA 0.504 56.608 56.100 0.007 0.000 1.419 44 R CB -1.830 28.496 30.300 0.043 0.000 2.058 44 R HN 0.264 8.436 8.270 -0.059 0.063 0.353 45 G N -0.100 108.728 108.800 0.047 0.000 2.225 45 G HA2 -0.140 nan 3.960 nan 0.000 0.245 45 G HA3 -0.140 nan 3.960 nan 0.000 0.245 45 G C -0.539 174.400 174.900 0.066 0.000 1.249 45 G CA -0.036 45.106 45.100 0.070 0.000 0.919 45 G HN -0.496 7.751 8.290 0.036 0.065 0.486 46 E N 3.340 123.591 120.200 0.085 0.000 2.316 46 E HA -0.026 nan 4.350 nan 0.000 0.275 46 E C -0.337 176.329 176.600 0.110 0.000 1.029 46 E CA 0.507 56.967 56.400 0.099 0.000 0.871 46 E CB 1.578 31.355 29.700 0.128 0.000 1.022 46 E HN -0.390 8.023 8.360 0.088 0.000 0.418 47 c N 5.736 124.396 118.600 0.100 0.000 2.388 47 c HA 0.601 nan 4.570 nan 0.000 0.362 47 c C -1.113 173.067 174.090 0.149 0.000 1.266 47 c CA -1.027 55.385 56.329 0.138 0.000 2.028 47 c CB 0.232 42.764 42.510 0.036 0.000 2.440 47 c HN 0.435 8.707 8.230 0.070 0.000 0.547 48 M N 6.925 126.642 119.600 0.195 0.000 2.326 48 M HA 0.328 nan 4.480 nan 0.000 0.292 48 M C -1.249 175.144 176.300 0.155 0.000 1.081 48 M CA -2.526 52.866 55.300 0.153 0.000 0.919 48 M CB 4.507 37.177 32.600 0.117 0.000 1.634 48 M HN 0.930 9.273 8.290 0.260 0.103 0.451 49 S N 4.340 120.113 115.700 0.121 0.000 2.898 49 S HA 0.007 nan 4.470 nan 0.000 0.324 49 S C 0.754 175.383 174.600 0.049 0.000 1.171 49 S CA 0.574 58.830 58.200 0.093 0.000 1.288 49 S CB -1.006 62.224 63.200 0.051 0.000 1.490 49 S HN 0.624 9.001 8.310 0.110 0.000 0.570 50 T N -1.016 113.576 114.554 0.062 0.000 3.406 50 T HA 0.119 nan 4.350 nan 0.000 0.244 50 T C -0.185 174.530 174.700 0.026 0.000 0.949 50 T CA -1.041 61.075 62.100 0.027 0.000 0.926 50 T CB -1.777 67.099 68.868 0.013 0.000 1.089 50 T HN 0.173 8.403 8.240 0.101 0.071 0.604 51 G N 1.229 110.033 108.800 0.007 0.000 2.325 51 G HA2 -0.182 nan 3.960 nan 0.000 0.214 51 G HA3 -0.182 nan 3.960 nan 0.000 0.214 51 G C -0.872 174.153 174.900 0.209 0.000 1.087 51 G CA -0.190 44.941 45.100 0.051 0.000 0.811 51 G HN -0.628 7.559 8.290 -0.025 0.088 0.486 52 F N -1.709 118.274 119.950 0.055 0.000 2.540 52 F HA -0.554 nan 4.527 nan 0.000 0.722 52 F C -0.657 175.178 175.800 0.058 0.000 0.486 52 F CA 3.382 61.412 58.000 0.051 0.000 0.756 52 F CB -1.451 37.573 39.000 0.040 0.000 1.620 52 F HN 0.100 8.329 8.300 -0.117 0.000 0.271 53 D N -0.984 119.598 120.400 0.303 0.000 2.354 53 D HA -0.032 nan 4.640 nan 0.000 0.209 53 D C 0.165 176.567 176.300 0.169 0.000 1.015 53 D CA 0.687 54.800 54.000 0.189 0.000 0.867 53 D CB 0.528 41.413 40.800 0.141 0.000 0.933 53 D HN -0.124 8.389 8.370 0.357 0.071 0.520 54 Q N -2.033 117.864 119.800 0.162 0.000 2.333 54 Q HA 0.181 nan 4.340 nan 0.000 0.266 54 Q C -2.241 173.881 176.000 0.202 0.000 1.053 54 Q CA -0.761 55.125 55.803 0.138 0.000 0.890 54 Q CB 3.099 31.872 28.738 0.058 0.000 1.337 54 Q HN -0.636 7.577 8.270 0.167 0.156 0.474 55 Y N -6.513 113.807 120.300 0.033 0.000 2.656 55 Y HA 0.312 nan 4.550 nan 0.000 0.334 55 Y C -2.311 173.605 175.900 0.026 0.000 1.179 55 Y CA -1.432 56.685 58.100 0.028 0.000 1.050 55 Y CB 3.071 41.546 38.460 0.025 0.000 1.308 55 Y HN -0.132 8.069 8.280 -0.130 0.000 0.456 56 K N -0.340 120.043 120.400 -0.028 0.000 2.469 56 K HA 0.435 nan 4.320 nan 0.000 0.254 56 K C -2.034 174.639 176.600 0.121 0.000 0.939 56 K CA -1.636 54.592 56.287 -0.098 0.000 0.812 56 K CB 5.059 37.532 32.500 -0.045 0.000 1.301 56 K HN 0.193 8.564 8.250 0.202 0.000 0.433 57 c N 1.520 120.177 118.600 0.096 0.000 2.273 57 c HA 0.418 nan 4.570 nan 0.000 0.328 57 c C -0.065 174.084 174.090 0.099 0.000 1.275 57 c CA -0.770 55.648 56.329 0.149 0.000 1.704 57 c CB 0.115 42.724 42.510 0.166 0.000 2.326 57 c HN 0.727 8.964 8.230 0.011 0.000 0.517 58 D N 5.770 126.229 120.400 0.099 0.000 2.558 58 D HA 0.179 nan 4.640 nan 0.000 0.221 58 D C 0.259 176.611 176.300 0.087 0.000 1.143 58 D CA -0.840 53.209 54.000 0.082 0.000 1.010 58 D CB -0.846 40.001 40.800 0.077 0.000 1.068 58 D HN 0.683 8.989 8.370 0.109 0.130 0.511 59 c N 1.350 120.008 118.600 0.097 0.000 2.485 59 c HA -0.049 nan 4.570 nan 0.000 0.283 59 c C -0.444 173.711 174.090 0.109 0.000 1.478 59 c CA 0.499 56.900 56.329 0.120 0.000 1.741 59 c CB -1.667 40.936 42.510 0.155 0.000 1.675 59 c HN -0.344 7.898 8.230 0.094 0.044 0.573 60 T N -1.797 112.806 114.554 0.080 0.000 2.905 60 T HA -0.239 nan 4.350 nan 0.000 0.299 60 T C 0.371 175.108 174.700 0.063 0.000 1.024 60 T CA 0.338 62.474 62.100 0.061 0.000 1.151 60 T CB -0.207 68.687 68.868 0.044 0.000 0.987 60 T HN -0.460 7.724 8.240 0.074 0.101 0.535 61 R N 0.188 120.720 120.500 0.053 0.000 3.651 61 R HA -0.250 nan 4.340 nan 0.000 0.292 61 R C -0.766 175.576 176.300 0.071 0.000 1.161 61 R CA 1.022 57.151 56.100 0.048 0.000 0.787 61 R CB -1.070 29.254 30.300 0.040 0.000 1.249 61 R HN 0.475 8.772 8.270 0.044 0.000 0.476 62 T N -6.728 107.886 114.554 0.099 0.000 2.844 62 T HA 0.380 nan 4.350 nan 0.000 0.274 62 T C -0.119 174.652 174.700 0.118 0.000 0.991 62 T CA -1.585 60.608 62.100 0.155 0.000 0.983 62 T CB 2.821 71.830 68.868 0.236 0.000 1.310 62 T HN -0.494 7.781 8.240 0.099 0.024 0.596 63 G N -1.053 107.824 108.800 0.128 0.000 3.277 63 G HA2 0.371 nan 3.960 nan 0.000 0.243 63 G HA3 0.371 nan 3.960 nan 0.000 0.243 63 G C -1.803 172.851 174.900 -0.411 0.000 1.107 63 G CA -0.153 44.832 45.100 -0.191 0.000 0.771 63 G HN 0.535 9.034 8.290 0.348 0.000 0.544 64 F N 0.014 120.038 119.950 0.124 0.000 2.603 64 F HA 0.764 nan 4.527 nan 0.000 0.317 64 F C -2.310 173.626 175.800 0.227 0.000 1.066 64 F CA -1.864 56.223 58.000 0.145 0.000 0.941 64 F CB 3.316 42.327 39.000 0.019 0.000 1.291 64 F HN -0.375 8.074 8.300 0.376 0.077 0.472 65 Y N -4.557 115.858 120.300 0.191 0.000 2.876 65 Y HA 0.296 nan 4.550 nan 0.000 0.317 65 Y C -1.311 174.644 175.900 0.091 0.000 1.369 65 Y CA -2.498 55.665 58.100 0.104 0.000 1.101 65 Y CB 1.496 39.987 38.460 0.051 0.000 1.346 65 Y HN 0.742 9.028 8.280 0.010 0.000 0.505 66 G N -2.399 106.466 108.800 0.108 0.000 2.879 66 G HA2 -0.294 nan 3.960 nan 0.000 0.686 66 G HA3 -0.294 nan 3.960 nan 0.000 0.686 66 G C 0.200 175.111 174.900 0.019 0.000 1.115 66 G CA -0.519 44.578 45.100 -0.005 0.000 0.770 66 G HN 0.214 8.674 8.290 0.284 0.000 0.601 67 E N 3.557 123.765 120.200 0.013 0.000 2.451 67 E HA -0.508 nan 4.350 nan 0.000 0.241 67 E C -0.263 176.367 176.600 0.051 0.000 1.139 67 E CA 3.226 59.628 56.400 0.003 0.000 1.034 67 E CB -0.088 29.599 29.700 -0.021 0.000 0.867 67 E HN 0.561 8.927 8.360 0.010 0.000 0.459 68 N N -5.886 112.845 118.700 0.051 0.000 2.187 68 N HA 0.181 nan 4.740 nan 0.000 0.212 68 N C -1.346 174.180 175.510 0.026 0.000 1.152 68 N CA -1.143 51.949 53.050 0.071 0.000 0.872 68 N CB 0.839 39.356 38.487 0.049 0.000 1.025 68 N HN -0.246 8.094 8.380 0.016 0.050 0.514 69 c N -1.668 116.955 118.600 0.038 0.000 3.348 69 c HA -0.363 nan 4.570 nan 0.000 0.289 69 c C 0.051 174.105 174.090 -0.059 0.000 1.167 69 c CA 0.917 57.284 56.329 0.065 0.000 2.406 69 c CB -3.409 39.148 42.510 0.078 0.000 1.487 69 c HN 0.798 8.958 8.230 0.051 0.101 0.520 70 T N -5.483 109.035 114.554 -0.060 0.000 3.154 70 T HA 0.104 nan 4.350 nan 0.000 0.258 70 T C 0.173 174.911 174.700 0.063 0.000 0.899 70 T CA 0.386 62.364 62.100 -0.204 0.000 0.908 70 T CB 2.164 70.933 68.868 -0.165 0.000 1.260 70 T HN 0.056 8.281 8.240 -0.024 0.000 0.521 71 T N 4.739 119.266 114.554 -0.047 0.000 2.761 71 T HA 0.467 nan 4.350 nan 0.000 0.296 71 T C -2.154 172.459 174.700 -0.146 0.000 0.934 71 T CA -2.688 59.291 62.100 -0.201 0.000 1.091 71 T CB -0.344 68.175 68.868 -0.581 0.000 0.896 71 T HN -0.346 7.794 8.240 -0.167 0.000 0.515 72 P HA 0.439 nan 4.420 nan 0.000 0.278 72 P C -0.917 176.461 177.300 0.130 0.000 1.258 72 P CA -1.066 61.939 63.100 -0.159 0.000 0.811 72 P CB 1.253 32.779 31.700 -0.290 0.000 1.063 73 E N -0.377 119.849 120.200 0.043 0.000 2.313 73 E HA 0.128 nan 4.350 nan 0.000 0.272 73 E C 1.569 178.181 176.600 0.021 0.000 1.038 73 E CA -0.715 55.718 56.400 0.055 0.000 0.863 73 E CB 0.836 30.518 29.700 -0.029 0.000 1.060 73 E HN -0.488 7.775 8.360 -0.160 0.000 0.402 74 F N 4.220 124.167 119.950 -0.005 0.000 2.063 74 F HA -0.409 nan 4.527 nan 0.000 0.298 74 F C 2.059 177.835 175.800 -0.040 0.000 1.105 74 F CA 3.970 61.961 58.000 -0.015 0.000 1.215 74 F CB -0.359 38.635 39.000 -0.009 0.000 0.972 74 F HN 0.574 8.949 8.300 0.125 0.000 0.483 75 L N -2.920 118.410 121.223 0.179 0.000 2.064 75 L HA -0.447 nan 4.340 nan 0.000 0.216 75 L C 1.516 178.402 176.870 0.026 0.000 1.077 75 L CA 3.468 58.348 54.840 0.068 0.000 0.766 75 L CB -0.844 41.225 42.059 0.015 0.000 0.890 75 L HN -0.008 8.323 8.230 0.167 0.000 0.435 76 T N 0.957 115.487 114.554 -0.040 0.000 2.622 76 T HA -0.426 nan 4.350 nan 0.000 0.266 76 T C 2.038 176.711 174.700 -0.045 0.000 1.047 76 T CA 4.438 66.456 62.100 -0.137 0.000 1.159 76 T CB -0.711 67.918 68.868 -0.397 0.000 0.863 76 T HN -0.388 7.731 8.240 -0.048 0.092 0.422 77 R N 1.106 121.606 120.500 0.000 0.000 2.133 77 R HA -0.469 nan 4.340 nan 0.000 0.245 77 R C 2.180 178.543 176.300 0.106 0.000 1.137 77 R CA 3.505 59.648 56.100 0.073 0.000 0.947 77 R CB -0.526 29.848 30.300 0.124 0.000 0.865 77 R HN -0.587 7.673 8.270 -0.018 0.000 0.437 78 I N -1.189 119.461 120.570 0.134 0.000 2.151 78 I HA -0.483 nan 4.170 nan 0.000 0.243 78 I C 2.064 178.210 176.117 0.048 0.000 1.080 78 I CA 3.452 64.801 61.300 0.083 0.000 1.339 78 I CB -0.401 37.631 38.000 0.053 0.000 1.039 78 I HN -0.113 8.212 8.210 0.184 -0.004 0.409 79 K N -1.166 119.254 120.400 0.034 0.000 1.965 79 K HA -0.300 nan 4.320 nan 0.000 0.218 79 K C 2.260 178.887 176.600 0.044 0.000 1.048 79 K CA 2.887 59.190 56.287 0.026 0.000 0.960 79 K CB 0.120 32.624 32.500 0.007 0.000 0.732 79 K HN -0.476 7.719 8.250 0.029 0.073 0.444 80 L N -1.507 119.749 121.223 0.055 0.000 1.997 80 L HA -0.393 nan 4.340 nan 0.000 0.227 80 L C 2.213 179.126 176.870 0.071 0.000 1.087 80 L CA 2.925 57.813 54.840 0.080 0.000 0.797 80 L CB -0.484 41.639 42.059 0.105 0.000 0.902 80 L HN 0.160 8.414 8.230 0.040 0.000 0.441 81 L N -4.512 116.751 121.223 0.067 0.000 2.869 81 L HA -0.212 nan 4.340 nan 0.000 0.259 81 L C 0.196 177.094 176.870 0.046 0.000 1.162 81 L CA 1.654 56.530 54.840 0.059 0.000 0.975 81 L CB -1.200 40.899 42.059 0.067 0.000 1.217 81 L HN 0.049 8.321 8.230 0.071 0.000 0.418 82 L N -1.823 119.426 121.223 0.044 0.000 3.794 82 L HA 0.133 nan 4.340 nan 0.000 0.364 82 L C -1.165 175.727 176.870 0.035 0.000 1.297 82 L CA 0.121 54.980 54.840 0.031 0.000 1.130 82 L CB 1.897 43.970 42.059 0.023 0.000 1.442 82 L HN -0.295 7.759 8.230 0.050 0.207 0.616 83 K N 0.750 121.181 120.400 0.050 0.000 2.206 83 K HA 0.480 nan 4.320 nan 0.000 0.264 83 K C -2.052 174.588 176.600 0.066 0.000 0.967 83 K CA -2.673 53.652 56.287 0.063 0.000 0.844 83 K CB 0.949 33.498 32.500 0.082 0.000 1.099 83 K HN -0.222 7.980 8.250 0.055 0.081 0.441 84 P HA 0.096 nan 4.420 nan 0.000 0.296 84 P C -1.022 176.338 177.300 0.100 0.000 1.306 84 P CA -0.459 62.685 63.100 0.074 0.000 0.818 84 P CB 0.931 32.669 31.700 0.063 0.000 0.969 85 T N 5.350 119.962 114.554 0.097 0.000 2.939 85 T HA -0.030 nan 4.350 nan 0.000 0.312 85 T C 0.345 175.129 174.700 0.141 0.000 1.064 85 T CA -0.721 61.445 62.100 0.110 0.000 1.136 85 T CB -0.705 68.221 68.868 0.097 0.000 1.035 85 T HN 0.346 8.635 8.240 0.081 0.000 0.538 86 P HA -0.203 nan 4.420 nan 0.000 0.220 86 P C 0.790 178.227 177.300 0.228 0.000 1.144 86 P CA 2.555 65.768 63.100 0.189 0.000 0.800 86 P CB -0.042 31.762 31.700 0.173 0.000 0.772 87 N N -1.751 117.066 118.700 0.194 0.000 2.220 87 N HA -0.157 nan 4.740 nan 0.000 0.182 87 N C 1.606 177.276 175.510 0.265 0.000 1.023 87 N CA 3.458 56.638 53.050 0.217 0.000 0.856 87 N CB -0.668 37.907 38.487 0.147 0.000 0.997 87 N HN 0.332 8.764 8.380 0.157 0.042 0.429 88 T N -1.304 113.365 114.554 0.193 0.000 2.977 88 T HA -0.112 nan 4.350 nan 0.000 0.271 88 T C 2.275 177.109 174.700 0.224 0.000 1.105 88 T CA 2.935 65.140 62.100 0.175 0.000 1.116 88 T CB -0.556 68.370 68.868 0.095 0.000 0.878 88 T HN -0.725 7.529 8.240 0.155 0.079 0.509 89 V N 2.932 122.978 119.914 0.219 0.000 2.331 89 V HA -0.236 nan 4.120 nan 0.000 0.242 89 V C 1.301 177.527 176.094 0.219 0.000 1.034 89 V CA 4.415 66.830 62.300 0.192 0.000 1.027 89 V CB -0.750 31.176 31.823 0.172 0.000 0.667 89 V HN 0.205 8.454 8.190 0.212 0.068 0.457 90 H N 1.026 120.211 119.070 0.191 0.000 2.352 90 H HA -0.376 nan 4.556 nan 0.000 0.299 90 H C 1.705 177.186 175.328 0.254 0.000 1.097 90 H CA 4.223 60.388 56.048 0.194 0.000 1.311 90 H CB 0.320 30.208 29.762 0.210 0.000 1.377 90 H HN -0.360 7.946 8.280 0.365 0.193 0.504 91 Y N -0.545 119.997 120.300 0.403 0.000 2.030 91 Y HA -0.493 nan 4.550 nan 0.000 0.274 91 Y C 1.780 178.032 175.900 0.587 0.000 1.153 91 Y CA 4.230 62.619 58.100 0.483 0.000 1.115 91 Y CB -0.218 38.420 38.460 0.296 0.000 0.969 91 Y HN 0.285 8.785 8.280 0.568 0.121 0.488 92 I N -2.515 118.514 120.570 0.766 0.000 2.087 92 I HA -0.638 nan 4.170 nan 0.000 0.240 92 I C 2.222 178.757 176.117 0.696 0.000 1.054 92 I CA 3.618 65.412 61.300 0.823 0.000 1.311 92 I CB -0.339 37.937 38.000 0.461 0.000 1.024 92 I HN -0.819 7.805 8.210 0.690 0.000 0.402 93 L N -2.729 118.631 121.223 0.228 0.000 2.189 93 L HA -0.315 nan 4.340 nan 0.000 0.214 93 L C 1.045 177.716 176.870 -0.332 0.000 1.097 93 L CA 2.857 57.487 54.840 -0.350 0.000 0.764 93 L CB -0.771 40.817 42.059 -0.786 0.000 0.900 93 L HN -0.413 7.934 8.230 0.194 0.000 0.436 94 T N -3.540 110.982 114.554 -0.054 0.000 3.014 94 T HA 0.056 nan 4.350 nan 0.000 0.250 94 T C 0.504 175.180 174.700 -0.041 0.000 1.060 94 T CA 0.904 62.942 62.100 -0.102 0.000 1.040 94 T CB 0.351 69.137 68.868 -0.137 0.000 0.971 94 T HN -0.490 7.644 8.240 0.075 0.150 0.497 95 H N 0.129 119.284 119.070 0.142 0.000 2.748 95 H HA 0.210 nan 4.556 nan 0.000 0.288 95 H C 0.510 175.975 175.328 0.229 0.000 1.539 95 H CA -0.725 55.273 56.048 -0.083 0.000 1.577 95 H CB 2.133 31.378 29.762 -0.862 0.000 1.721 95 H HN -0.310 8.072 8.280 0.365 0.117 0.869 96 F N -5.948 114.147 119.950 0.241 0.000 3.067 96 F HA -0.390 nan 4.527 nan 0.000 0.279 96 F C 0.601 176.348 175.800 -0.088 0.000 0.945 96 F CA 0.247 58.296 58.000 0.080 0.000 0.948 96 F CB -2.539 36.494 39.000 0.056 0.000 0.898 96 F HN 0.559 8.513 8.300 -0.577 0.000 0.746 97 K N 1.152 121.356 120.400 -0.326 0.000 2.049 97 K HA -0.470 nan 4.320 nan 0.000 0.219 97 K C 1.925 178.463 176.600 -0.104 0.000 1.056 97 K CA 3.407 59.331 56.287 -0.605 0.000 0.946 97 K CB -0.324 32.036 32.500 -0.233 0.000 0.723 97 K HN 0.061 8.154 8.250 -0.261 0.000 0.453 98 G N -3.277 105.508 108.800 -0.025 0.000 2.476 98 G HA2 -0.276 nan 3.960 nan 0.000 0.218 98 G HA3 -0.276 nan 3.960 nan 0.000 0.218 98 G C 1.606 176.499 174.900 -0.011 0.000 1.164 98 G CA 2.030 47.134 45.100 0.007 0.000 0.768 98 G HN 0.089 8.365 8.290 -0.023 0.000 0.560 99 V N 2.697 122.576 119.914 -0.059 0.000 2.233 99 V HA -0.399 nan 4.120 nan 0.000 0.247 99 V C 1.990 177.960 176.094 -0.206 0.000 1.050 99 V CA 3.666 65.845 62.300 -0.203 0.000 1.010 99 V CB -0.520 31.078 31.823 -0.374 0.000 0.637 99 V HN -0.528 7.652 8.190 -0.015 0.000 0.444 100 W N -2.702 118.603 121.300 0.007 0.000 2.359 100 W HA -0.429 nan 4.660 nan 0.000 0.275 100 W C 2.397 178.958 176.519 0.071 0.000 1.217 100 W CA 3.348 60.735 57.345 0.069 0.000 1.196 100 W CB -0.877 28.649 29.460 0.110 0.000 1.129 100 W HN -0.347 7.714 8.180 -0.199 0.000 0.566 101 N N 0.265 119.079 118.700 0.190 0.000 2.106 101 N HA -0.232 nan 4.740 nan 0.000 0.188 101 N C 2.155 177.717 175.510 0.088 0.000 1.029 101 N CA 3.196 56.326 53.050 0.135 0.000 0.848 101 N CB -0.459 38.078 38.487 0.083 0.000 1.007 101 N HN -0.061 8.297 8.380 0.127 0.098 0.423 102 I N 0.813 121.401 120.570 0.030 0.000 2.179 102 I HA -0.475 nan 4.170 nan 0.000 0.242 102 I C 1.455 177.564 176.117 -0.013 0.000 1.088 102 I CA 4.322 65.615 61.300 -0.012 0.000 1.357 102 I CB -0.116 37.848 38.000 -0.060 0.000 1.051 102 I HN 0.079 8.206 8.210 0.010 0.089 0.409 103 V N 0.681 120.598 119.914 0.005 0.000 2.255 103 V HA -0.502 nan 4.120 nan 0.000 0.247 103 V C 1.619 177.803 176.094 0.149 0.000 1.051 103 V CA 4.221 66.551 62.300 0.050 0.000 1.018 103 V CB -0.479 31.433 31.823 0.147 0.000 0.641 103 V HN 0.219 8.401 8.190 -0.013 0.000 0.445 104 N N -2.796 116.046 118.700 0.236 0.000 2.719 104 N HA -0.259 nan 4.740 nan 0.000 0.207 104 N C 0.333 175.905 175.510 0.103 0.000 1.551 104 N CA 0.408 53.569 53.050 0.185 0.000 0.914 104 N CB -1.640 36.943 38.487 0.160 0.000 1.215 104 N HN -0.268 8.176 8.380 0.288 0.109 0.480 105 I N -0.295 120.241 120.570 -0.058 0.000 2.732 105 I HA -0.393 nan 4.170 nan 0.000 0.129 105 I C -1.270 174.761 176.117 -0.144 0.000 0.883 105 I CA 0.735 61.905 61.300 -0.218 0.000 2.781 105 I CB -0.959 36.701 38.000 -0.565 0.000 0.552 105 I HN -0.262 7.911 8.210 -0.062 0.000 0.352 106 P HA -0.178 nan 4.420 nan 0.000 0.216 106 P C -0.064 177.335 177.300 0.164 0.000 1.153 106 P CA 2.306 65.486 63.100 0.134 0.000 0.848 106 P CB -0.066 31.747 31.700 0.188 0.000 0.787 107 F N -7.595 112.400 119.950 0.074 0.000 2.772 107 F HA 0.030 nan 4.527 nan 0.000 0.301 107 F C -0.699 175.140 175.800 0.064 0.000 1.250 107 F CA 0.240 58.279 58.000 0.065 0.000 1.441 107 F CB -1.301 37.729 39.000 0.049 0.000 1.112 107 F HN -0.216 8.415 8.300 0.551 0.000 0.563 108 L N -1.783 119.368 121.223 -0.120 0.000 2.688 108 L HA 0.106 nan 4.340 nan 0.000 0.216 108 L C 1.270 178.153 176.870 0.023 0.000 1.036 108 L CA 0.625 55.388 54.840 -0.128 0.000 0.906 108 L CB 1.466 43.346 42.059 -0.298 0.000 1.501 108 L HN -0.324 7.720 8.230 -0.093 0.131 0.489 109 R N 1.160 121.738 120.500 0.129 0.000 2.094 109 R HA -0.492 nan 4.340 nan 0.000 0.239 109 R C 1.898 178.410 176.300 0.354 0.000 1.137 109 R CA 4.471 60.815 56.100 0.406 0.000 0.943 109 R CB 0.046 30.572 30.300 0.376 0.000 0.850 109 R HN 0.149 8.456 8.270 0.063 0.000 0.433 110 S N -0.342 115.494 115.700 0.228 0.000 2.359 110 S HA -0.328 nan 4.470 nan 0.000 0.224 110 S C 2.403 177.088 174.600 0.141 0.000 1.035 110 S CA 3.179 61.488 58.200 0.182 0.000 1.018 110 S CB -0.789 62.499 63.200 0.147 0.000 0.876 110 S HN -0.537 7.889 8.310 0.190 -0.002 0.448 111 L N 2.506 123.794 121.223 0.108 0.000 2.012 111 L HA -0.324 nan 4.340 nan 0.000 0.210 111 L C 2.238 179.148 176.870 0.066 0.000 1.073 111 L CA 2.833 57.723 54.840 0.082 0.000 0.748 111 L CB -0.301 41.789 42.059 0.051 0.000 0.891 111 L HN -0.276 7.938 8.230 0.108 0.081 0.431 112 I N -1.307 119.251 120.570 -0.020 0.000 2.142 112 I HA -0.509 nan 4.170 nan 0.000 0.240 112 I C 2.160 178.265 176.117 -0.021 0.000 1.078 112 I CA 3.064 64.256 61.300 -0.180 0.000 1.343 112 I CB -0.977 36.583 38.000 -0.732 0.000 1.046 112 I HN -0.051 8.077 8.210 -0.017 0.072 0.405 113 M N -0.043 119.654 119.600 0.162 0.000 2.082 113 M HA -0.494 nan 4.480 nan 0.000 0.258 113 M C 1.600 178.007 176.300 0.177 0.000 1.069 113 M CA 3.411 58.900 55.300 0.314 0.000 1.102 113 M CB -0.479 32.334 32.600 0.354 0.000 1.336 113 M HN 0.430 8.742 8.290 0.225 0.113 0.404 114 K N -1.234 119.245 120.400 0.132 0.000 2.044 114 K HA -0.469 nan 4.320 nan 0.000 0.210 114 K C 1.915 178.556 176.600 0.067 0.000 1.049 114 K CA 3.643 59.977 56.287 0.078 0.000 0.927 114 K CB -0.162 32.389 32.500 0.085 0.000 0.713 114 K HN 0.023 8.238 8.250 0.142 0.120 0.443 115 Y N -0.961 119.363 120.300 0.041 0.000 2.163 115 Y HA -0.395 nan 4.550 nan 0.000 0.288 115 Y C 1.849 177.792 175.900 0.073 0.000 1.136 115 Y CA 3.741 61.869 58.100 0.046 0.000 1.147 115 Y CB 0.365 38.837 38.460 0.019 0.000 0.987 115 Y HN -0.446 7.873 8.280 0.222 0.094 0.509 116 V N -1.688 118.342 119.914 0.193 0.000 2.282 116 V HA -0.519 nan 4.120 nan 0.000 0.249 116 V C 1.723 177.851 176.094 0.058 0.000 1.057 116 V CA 3.427 65.835 62.300 0.179 0.000 1.032 116 V CB -1.337 30.637 31.823 0.250 0.000 0.645 116 V HN 0.017 8.351 8.190 0.239 0.000 0.447 117 L N -1.041 120.207 121.223 0.042 0.000 1.932 117 L HA -0.415 nan 4.340 nan 0.000 0.217 117 L C 1.959 178.802 176.870 -0.045 0.000 1.077 117 L CA 2.931 57.774 54.840 0.005 0.000 0.765 117 L CB -1.459 40.583 42.059 -0.029 0.000 0.888 117 L HN 0.073 8.348 8.230 0.076 0.000 0.433 118 T N -3.529 110.957 114.554 -0.113 0.000 2.536 118 T HA -0.470 nan 4.350 nan 0.000 0.263 118 T C 2.941 177.581 174.700 -0.100 0.000 1.115 118 T CA 3.707 65.740 62.100 -0.112 0.000 1.180 118 T CB -0.552 68.226 68.868 -0.149 0.000 0.864 118 T HN 0.107 8.279 8.240 -0.113 0.000 0.419 119 S N 3.514 119.025 115.700 -0.315 0.000 2.356 119 S HA -0.356 nan 4.470 nan 0.000 0.223 119 S C 2.200 176.878 174.600 0.129 0.000 1.032 119 S CA 3.221 61.355 58.200 -0.111 0.000 1.005 119 S CB -0.538 62.464 63.200 -0.331 0.000 0.867 119 S HN -0.346 7.568 8.310 -0.660 0.000 0.449 120 R N 1.917 122.457 120.500 0.068 0.000 2.140 120 R HA -0.326 nan 4.340 nan 0.000 0.250 120 R C 2.073 178.429 176.300 0.093 0.000 1.150 120 R CA 3.002 59.175 56.100 0.121 0.000 0.966 120 R CB -0.058 30.326 30.300 0.139 0.000 0.869 120 R HN -0.411 7.848 8.270 -0.019 0.000 0.445 121 S N -2.087 113.676 115.700 0.105 0.000 2.577 121 S HA 0.100 nan 4.470 nan 0.000 0.219 121 S C 0.749 175.397 174.600 0.080 0.000 0.962 121 S CA 0.662 58.922 58.200 0.100 0.000 0.921 121 S CB -0.092 63.200 63.200 0.153 0.000 0.789 121 S HN -0.548 7.806 8.310 0.106 0.021 0.497 122 Y N 0.796 121.134 120.300 0.063 0.000 2.403 122 Y HA -0.209 nan 4.550 nan 0.000 0.291 122 Y C -0.104 175.811 175.900 0.026 0.000 1.143 122 Y CA 1.744 59.867 58.100 0.039 0.000 1.257 122 Y CB -0.508 37.970 38.460 0.030 0.000 0.984 122 Y HN -0.272 7.991 8.280 0.228 0.153 0.550 123 L N -2.324 118.519 121.223 -0.632 0.000 2.622 123 L HA -0.077 nan 4.340 nan 0.000 0.233 123 L C -0.477 176.292 176.870 -0.169 0.000 1.156 123 L CA 0.489 54.990 54.840 -0.565 0.000 0.866 123 L CB -1.616 40.076 42.059 -0.611 0.000 0.980 123 L HN -0.218 7.594 8.230 -0.622 0.045 0.448 124 I N -0.689 119.863 120.570 -0.029 0.000 2.404 124 I HA 0.018 nan 4.170 nan 0.000 0.293 124 I C -0.852 175.257 176.117 -0.013 0.000 0.992 124 I CA -0.801 60.514 61.300 0.025 0.000 1.149 124 I CB 1.866 39.885 38.000 0.033 0.000 1.315 124 I HN -0.717 7.400 8.210 -0.026 0.077 0.446 125 D N 8.953 129.346 120.400 -0.012 0.000 2.517 125 D HA 0.098 nan 4.640 nan 0.000 0.220 125 D C -1.667 174.603 176.300 -0.051 0.000 1.158 125 D CA 0.051 54.043 54.000 -0.014 0.000 0.992 125 D CB -0.732 40.082 40.800 0.023 0.000 1.058 125 D HN 0.391 8.763 8.370 0.003 0.000 0.516 126 S N 1.842 117.500 115.700 -0.069 0.000 2.659 126 S HA 0.248 nan 4.470 nan 0.000 0.312 126 S C -2.310 172.243 174.600 -0.078 0.000 1.114 126 S CA -3.497 54.646 58.200 -0.096 0.000 1.063 126 S CB 1.407 64.516 63.200 -0.153 0.000 0.996 126 S HN -0.707 7.566 8.310 -0.061 0.000 0.478 127 P HA 0.101 nan 4.420 nan 0.000 0.262 127 P C -2.249 175.059 177.300 0.013 0.000 1.182 127 P CA -0.686 62.436 63.100 0.037 0.000 0.761 127 P CB -0.109 31.662 31.700 0.118 0.000 0.795 128 P HA -0.076 nan 4.420 nan 0.000 0.264 128 P C -1.342 175.924 177.300 -0.057 0.000 1.183 128 P CA 0.442 63.496 63.100 -0.076 0.000 0.763 128 P CB 1.096 32.690 31.700 -0.177 0.000 0.807 129 T N -2.587 111.912 114.554 -0.091 0.000 2.863 129 T HA 0.427 nan 4.350 nan 0.000 0.285 129 T C -1.294 173.313 174.700 -0.155 0.000 1.009 129 T CA -1.473 60.455 62.100 -0.286 0.000 0.989 129 T CB 2.437 70.994 68.868 -0.518 0.000 1.004 129 T HN -0.036 8.184 8.240 -0.034 0.000 0.455 130 Y N 0.949 121.248 120.300 -0.003 0.000 2.505 130 Y HA -0.541 nan 4.550 nan 0.000 0.021 130 Y C -1.653 174.196 175.900 -0.085 0.000 1.700 130 Y CA 1.053 59.144 58.100 -0.016 0.000 1.420 130 Y CB -0.406 38.038 38.460 -0.027 0.000 2.065 130 Y HN 0.262 8.313 8.280 -0.381 0.000 0.254 131 N N -5.148 113.582 118.700 0.050 0.000 3.373 131 N HA 0.210 nan 4.740 nan 0.000 0.275 131 N C 0.441 175.789 175.510 -0.270 0.000 1.489 131 N CA -0.556 52.382 53.050 -0.188 0.000 0.872 131 N CB 1.414 39.603 38.487 -0.497 0.000 1.555 131 N HN -0.396 8.063 8.380 0.131 0.000 0.500 132 V N -1.676 117.981 119.914 -0.428 0.000 2.380 132 V HA -0.352 nan 4.120 nan 0.000 0.251 132 V C 0.418 176.252 176.094 -0.432 0.000 1.063 132 V CA 3.740 65.791 62.300 -0.415 0.000 1.055 132 V CB -0.569 30.955 31.823 -0.499 0.000 0.657 132 V HN 0.651 8.556 8.190 -0.475 0.000 0.455 133 H N -6.044 112.811 119.070 -0.358 0.000 2.551 133 H HA 0.042 nan 4.556 nan 0.000 0.271 133 H C -0.401 174.454 175.328 -0.788 0.000 0.984 133 H CA -0.092 55.681 56.048 -0.458 0.000 1.164 133 H CB 0.891 30.402 29.762 -0.418 0.000 1.437 133 H HN -0.465 7.575 8.280 -0.744 -0.206 0.550 134 Y N -0.284 119.943 120.300 -0.122 0.000 2.376 134 Y HA 0.060 nan 4.550 nan 0.000 0.326 134 Y C -0.786 175.103 175.900 -0.017 0.000 0.970 134 Y CA -1.163 56.873 58.100 -0.108 0.000 1.248 134 Y CB 0.825 39.322 38.460 0.061 0.000 1.117 134 Y HN -0.508 7.686 8.280 -0.122 0.013 0.476 135 G N 2.039 110.753 108.800 -0.145 0.000 2.939 135 G HA2 -0.126 nan 3.960 nan 0.000 0.210 135 G HA3 -0.126 nan 3.960 nan 0.000 0.210 135 G C -1.859 173.233 174.900 0.320 0.000 1.160 135 G CA 0.001 45.109 45.100 0.014 0.000 0.770 135 G HN 0.555 8.518 8.290 -0.545 0.000 0.543 136 Y N -4.246 116.265 120.300 0.352 0.000 2.509 136 Y HA 0.337 nan 4.550 nan 0.000 0.341 136 Y C -0.160 175.797 175.900 0.097 0.000 1.038 136 Y CA -4.238 54.013 58.100 0.252 0.000 1.089 136 Y CB 0.712 39.278 38.460 0.176 0.000 1.241 136 Y HN -0.705 7.480 8.280 -0.054 0.063 0.468 137 K N 0.801 121.281 120.400 0.133 0.000 2.049 137 K HA -0.468 nan 4.320 nan 0.000 0.219 137 K C 0.637 177.206 176.600 -0.051 0.000 1.056 137 K CA 1.841 58.050 56.287 -0.131 0.000 0.946 137 K CB -0.766 31.656 32.500 -0.129 0.000 0.723 137 K HN 0.552 8.899 8.250 0.161 0.000 0.453 138 S N -2.917 112.783 115.700 0.001 0.000 3.513 138 S HA -0.258 nan 4.470 nan 0.000 0.857 138 S C 0.544 175.100 174.600 -0.074 0.000 1.208 138 S CA 0.010 58.173 58.200 -0.063 0.000 0.875 138 S CB 0.555 63.693 63.200 -0.104 0.000 0.678 138 S HN -0.241 8.054 8.310 -0.025 0.000 0.279 139 W N 6.859 128.076 121.300 -0.137 0.000 2.584 139 W HA -0.131 nan 4.660 nan 0.000 0.264 139 W C 0.470 176.965 176.519 -0.039 0.000 1.264 139 W CA 2.116 59.432 57.345 -0.048 0.000 1.306 139 W CB 0.083 29.516 29.460 -0.044 0.000 1.110 139 W HN 0.585 8.848 8.180 0.138 0.000 0.606 140 E N 1.145 121.278 120.200 -0.113 0.000 2.152 140 E HA -0.309 nan 4.350 nan 0.000 0.192 140 E C 1.964 178.418 176.600 -0.243 0.000 0.983 140 E CA 2.622 58.931 56.400 -0.151 0.000 0.818 140 E CB -0.740 28.853 29.700 -0.179 0.000 0.758 140 E HN -0.262 7.974 8.360 -0.152 0.032 0.467 141 A N -1.198 121.335 122.820 -0.478 0.000 2.014 141 A HA -0.161 nan 4.320 nan 0.000 0.218 141 A C 1.781 179.235 177.584 -0.217 0.000 1.163 141 A CA 2.696 54.560 52.037 -0.289 0.000 0.652 141 A CB -0.678 18.175 19.000 -0.245 0.000 0.808 141 A HN -0.015 7.749 8.150 -0.608 0.021 0.449 142 F N -1.204 118.476 119.950 -0.451 0.000 2.317 142 F HA -0.147 nan 4.527 nan 0.000 0.293 142 F C 0.868 176.313 175.800 -0.592 0.000 1.085 142 F CA 2.025 59.676 58.000 -0.581 0.000 1.390 142 F CB 1.319 39.792 39.000 -0.878 0.000 1.077 142 F HN -0.656 7.355 8.300 -0.256 0.136 0.517 143 S N -0.425 114.895 115.700 -0.633 0.000 2.336 143 S HA -0.328 nan 4.470 nan 0.000 0.216 143 S C 0.923 175.363 174.600 -0.267 0.000 1.032 143 S CA 2.003 59.950 58.200 -0.422 0.000 0.973 143 S CB -0.035 63.121 63.200 -0.074 0.000 0.888 143 S HN 0.249 8.140 8.310 -0.520 0.106 0.455 144 N N 3.517 122.147 118.700 -0.117 0.000 2.381 144 N HA -0.169 nan 4.740 nan 0.000 0.288 144 N C 0.725 176.183 175.510 -0.087 0.000 1.346 144 N CA 0.666 53.684 53.050 -0.054 0.000 0.970 144 N CB -0.643 37.860 38.487 0.026 0.000 1.351 144 N HN -0.570 7.761 8.380 -0.080 0.000 0.488 145 L N 4.400 125.540 121.223 -0.139 0.000 2.622 145 L HA -0.133 nan 4.340 nan 0.000 0.233 145 L C 0.959 177.839 176.870 0.017 0.000 1.156 145 L CA 1.308 56.064 54.840 -0.141 0.000 0.866 145 L CB -0.603 41.352 42.059 -0.173 0.000 0.980 145 L HN 0.070 8.219 8.230 -0.135 0.000 0.448 146 S N 0.133 115.811 115.700 -0.038 0.000 2.489 146 S HA -0.120 nan 4.470 nan 0.000 0.228 146 S C 0.108 174.732 174.600 0.040 0.000 0.995 146 S CA 2.812 61.004 58.200 -0.013 0.000 0.934 146 S CB 0.175 63.350 63.200 -0.042 0.000 0.771 146 S HN -0.024 8.467 8.310 -0.091 -0.235 0.522 147 Y N 0.615 120.931 120.300 0.027 0.000 2.356 147 Y HA 0.141 nan 4.550 nan 0.000 0.341 147 Y C -0.948 174.890 175.900 -0.104 0.000 1.343 147 Y CA 1.147 59.171 58.100 -0.127 0.000 1.570 147 Y CB 1.036 39.433 38.460 -0.106 0.000 1.558 147 Y HN -0.933 7.350 8.280 0.089 0.050 0.557 148 Y N -4.460 115.937 120.300 0.161 0.000 2.393 148 Y HA 0.174 nan 4.550 nan 0.000 0.341 148 Y C -0.789 175.141 175.900 0.050 0.000 0.988 148 Y CA -0.620 57.547 58.100 0.110 0.000 1.078 148 Y CB 2.729 41.222 38.460 0.054 0.000 1.203 148 Y HN -0.313 8.113 8.280 0.243 0.000 0.453 149 T N 3.338 118.016 114.554 0.207 0.000 2.701 149 T HA 0.090 nan 4.350 nan 0.000 0.303 149 T C -1.478 173.254 174.700 0.054 0.000 1.030 149 T CA 0.274 62.410 62.100 0.061 0.000 1.010 149 T CB 1.010 69.864 68.868 -0.023 0.000 1.007 149 T HN 0.276 8.579 8.240 0.267 0.097 0.532 150 R N 2.238 122.765 120.500 0.045 0.000 2.531 150 R HA 0.228 nan 4.340 nan 0.000 0.293 150 R C -0.463 175.886 176.300 0.083 0.000 1.124 150 R CA -0.581 55.539 56.100 0.033 0.000 0.945 150 R CB 1.995 32.274 30.300 -0.034 0.000 1.195 150 R HN -0.070 8.244 8.270 0.073 0.000 0.433 151 A N 6.265 129.195 122.820 0.183 0.000 1.948 151 A HA -0.131 nan 4.320 nan 0.000 0.220 151 A C -0.396 177.213 177.584 0.043 0.000 1.177 151 A CA 2.353 54.556 52.037 0.277 0.000 0.636 151 A CB 0.113 19.557 19.000 0.740 0.000 0.815 151 A HN 0.527 8.866 8.150 0.232 -0.050 0.449 152 L N -3.457 117.727 121.223 -0.066 0.000 2.365 152 L HA 0.398 nan 4.340 nan 0.000 0.273 152 L C -2.263 174.395 176.870 -0.354 0.000 1.000 152 L CA -3.655 50.993 54.840 -0.319 0.000 0.819 152 L CB 2.454 44.162 42.059 -0.586 0.000 1.284 152 L HN -0.764 7.691 8.230 0.043 -0.200 0.418 153 P HA 0.113 nan 4.420 nan 0.000 0.269 153 P C -1.747 175.392 177.300 -0.268 0.000 1.209 153 P CA -1.527 61.255 63.100 -0.530 0.000 0.776 153 P CB -0.840 30.441 31.700 -0.700 0.000 0.876 154 P HA -0.006 nan 4.420 nan 0.000 0.272 154 P C -1.055 176.193 177.300 -0.088 0.000 1.254 154 P CA -0.556 62.482 63.100 -0.103 0.000 0.795 154 P CB 0.740 32.386 31.700 -0.091 0.000 1.022 155 V N -0.931 118.962 119.914 -0.035 0.000 2.461 155 V HA -0.017 nan 4.120 nan 0.000 0.275 155 V C 0.005 176.078 176.094 -0.034 0.000 1.047 155 V CA -0.768 61.514 62.300 -0.029 0.000 0.955 155 V CB 0.043 31.871 31.823 0.009 0.000 0.988 155 V HN -0.275 7.914 8.190 -0.001 0.000 0.471 156 A N 6.931 129.724 122.820 -0.045 0.000 2.567 156 A HA -0.129 nan 4.320 nan 0.000 0.240 156 A C 0.301 177.874 177.584 -0.018 0.000 1.053 156 A CA -0.039 51.974 52.037 -0.041 0.000 0.755 156 A CB 0.359 19.338 19.000 -0.034 0.000 0.978 156 A HN 0.353 8.472 8.150 -0.051 0.000 0.507 157 D N 2.119 122.509 120.400 -0.016 0.000 2.389 157 D HA -0.236 nan 4.640 nan 0.000 0.221 157 D C -0.122 176.184 176.300 0.010 0.000 0.974 157 D CA 2.755 56.756 54.000 0.002 0.000 0.923 157 D CB -0.368 40.434 40.800 0.003 0.000 0.892 157 D HN 0.592 8.943 8.370 -0.032 0.000 0.518 158 D N -5.902 114.504 120.400 0.010 0.000 2.462 158 D HA 0.026 nan 4.640 nan 0.000 0.221 158 D C -0.173 176.140 176.300 0.021 0.000 1.173 158 D CA -0.918 53.095 54.000 0.021 0.000 0.831 158 D CB -0.465 40.354 40.800 0.032 0.000 1.001 158 D HN -0.335 7.949 8.370 0.003 0.088 0.499 159 c N 2.202 120.810 118.600 0.013 0.000 2.649 159 c HA 0.190 nan 4.570 nan 0.000 0.377 159 c C 0.312 174.411 174.090 0.016 0.000 1.321 159 c CA -0.990 55.346 56.329 0.012 0.000 2.368 159 c CB 0.590 43.103 42.510 0.004 0.000 2.597 159 c HN -0.243 7.930 8.230 0.010 0.063 0.678 160 P HA -0.031 nan 4.420 nan 0.000 0.218 160 P C -0.753 176.557 177.300 0.017 0.000 1.152 160 P CA 1.219 64.329 63.100 0.017 0.000 0.826 160 P CB 0.765 32.474 31.700 0.016 0.000 0.790 161 T N -4.504 110.061 114.554 0.018 0.000 2.907 161 T HA 0.594 nan 4.350 nan 0.000 0.292 161 T C -1.163 173.553 174.700 0.027 0.000 1.043 161 T CA -2.537 59.576 62.100 0.022 0.000 1.003 161 T CB 2.045 70.929 68.868 0.027 0.000 1.084 161 T HN -0.179 7.976 8.240 0.016 0.095 0.483 162 P HA -0.110 nan 4.420 nan 0.000 0.223 162 P C -0.021 177.312 177.300 0.055 0.000 1.144 162 P CA 2.454 65.578 63.100 0.041 0.000 0.783 162 P CB 0.240 31.965 31.700 0.042 0.000 0.771 163 M N -4.046 115.588 119.600 0.056 0.000 2.475 163 M HA 0.099 nan 4.480 nan 0.000 0.261 163 M C 0.256 176.578 176.300 0.037 0.000 1.177 163 M CA -1.949 53.390 55.300 0.066 0.000 0.979 163 M CB -0.870 31.782 32.600 0.085 0.000 1.482 163 M HN -0.363 7.907 8.290 0.050 0.050 0.484 164 G N -1.116 107.698 108.800 0.023 0.000 3.355 164 G HA2 -0.294 nan 3.960 nan 0.000 0.247 164 G HA3 -0.294 nan 3.960 nan 0.000 0.247 164 G C -0.681 174.221 174.900 0.004 0.000 1.818 164 G CA 0.984 46.085 45.100 0.002 0.000 1.309 164 G HN 0.309 8.429 8.290 0.028 0.187 0.546 165 V N -2.338 117.577 119.914 0.002 0.000 3.572 165 V HA 0.378 nan 4.120 nan 0.000 0.260 165 V C 0.028 176.132 176.094 0.017 0.000 1.324 165 V CA -0.483 61.820 62.300 0.006 0.000 1.068 165 V CB 0.871 32.691 31.823 -0.004 0.000 0.837 165 V HN -0.045 8.144 8.190 -0.001 0.000 0.450 166 K N 1.778 122.192 120.400 0.024 0.000 2.174 166 K HA 0.123 nan 4.320 nan 0.000 0.275 166 K C 0.114 176.745 176.600 0.051 0.000 1.015 166 K CA 0.003 56.312 56.287 0.038 0.000 0.933 166 K CB 0.761 33.287 32.500 0.043 0.000 1.025 166 K HN -0.284 7.979 8.250 0.021 0.000 0.463 167 G N 2.610 111.442 108.800 0.054 0.000 2.483 167 G HA2 -0.329 nan 3.960 nan 0.000 0.521 167 G HA3 -0.329 nan 3.960 nan 0.000 0.521 167 G C -1.312 173.608 174.900 0.033 0.000 1.278 167 G CA -0.576 44.558 45.100 0.056 0.000 0.965 167 G HN 0.024 8.344 8.290 0.049 0.000 0.504 168 N N -0.109 118.603 118.700 0.020 0.000 2.491 168 N HA 0.225 nan 4.740 nan 0.000 0.279 168 N C -0.392 175.122 175.510 0.006 0.000 1.236 168 N CA -1.297 51.758 53.050 0.007 0.000 0.982 168 N CB 1.688 40.171 38.487 -0.008 0.000 1.194 168 N HN 0.281 8.672 8.380 0.018 0.000 0.582 169 K N -0.664 119.738 120.400 0.003 0.000 2.218 169 K HA -0.232 nan 4.320 nan 0.000 0.205 169 K C -0.287 176.313 176.600 0.001 0.000 1.046 169 K CA 2.142 58.431 56.287 0.004 0.000 0.933 169 K CB 0.395 32.897 32.500 0.002 0.000 0.728 169 K HN 0.274 8.525 8.250 0.001 0.000 0.454 170 E N -4.503 115.692 120.200 -0.009 0.000 2.404 170 E HA 0.182 nan 4.350 nan 0.000 0.264 170 E C -2.220 174.360 176.600 -0.034 0.000 0.946 170 E CA -1.407 54.983 56.400 -0.017 0.000 0.806 170 E CB 2.307 31.992 29.700 -0.025 0.000 1.334 170 E HN -0.564 7.754 8.360 -0.013 0.034 0.429 171 L N -1.564 119.626 121.223 -0.054 0.000 2.299 171 L HA 0.359 nan 4.340 nan 0.000 0.268 171 L C -1.541 175.218 176.870 -0.185 0.000 1.012 171 L CA -3.118 51.655 54.840 -0.111 0.000 0.816 171 L CB 0.466 42.487 42.059 -0.064 0.000 1.355 171 L HN -0.066 8.137 8.230 -0.045 0.000 0.457 172 P HA 0.016 nan 4.420 nan 0.000 0.271 172 P C -1.689 175.508 177.300 -0.173 0.000 1.238 172 P CA -0.410 62.487 63.100 -0.339 0.000 0.794 172 P CB 0.719 32.027 31.700 -0.654 0.000 0.959 173 D N -1.422 118.914 120.400 -0.108 0.000 2.329 173 D HA 0.009 nan 4.640 nan 0.000 0.246 173 D C 0.373 176.659 176.300 -0.023 0.000 1.111 173 D CA -0.095 53.873 54.000 -0.053 0.000 0.941 173 D CB 1.478 42.255 40.800 -0.037 0.000 1.169 173 D HN 0.066 8.369 8.370 -0.111 0.000 0.441 174 S N 1.542 117.241 115.700 -0.001 0.000 2.343 174 S HA -0.264 nan 4.470 nan 0.000 0.219 174 S C 1.933 176.555 174.600 0.036 0.000 1.033 174 S CA 3.592 61.809 58.200 0.029 0.000 1.014 174 S CB 0.084 63.295 63.200 0.019 0.000 0.915 174 S HN 0.276 8.581 8.310 -0.008 0.000 0.435 175 K N 0.884 121.294 120.400 0.017 0.000 2.209 175 K HA -0.271 nan 4.320 nan 0.000 0.204 175 K C 2.424 179.034 176.600 0.016 0.000 1.048 175 K CA 3.142 59.439 56.287 0.016 0.000 0.940 175 K CB -0.218 32.285 32.500 0.005 0.000 0.729 175 K HN -0.210 8.225 8.250 0.008 -0.180 0.451 176 E N -3.087 117.118 120.200 0.008 0.000 2.516 176 E HA -0.171 nan 4.350 nan 0.000 0.199 176 E C 0.669 177.290 176.600 0.035 0.000 1.069 176 E CA 1.615 58.018 56.400 0.005 0.000 0.876 176 E CB -0.036 29.652 29.700 -0.021 0.000 0.843 176 E HN -0.392 7.983 8.360 0.001 -0.014 0.530 177 V N -3.137 116.815 119.914 0.064 0.000 3.090 177 V HA 0.128 nan 4.120 nan 0.000 0.237 177 V C 1.800 177.944 176.094 0.083 0.000 1.209 177 V CA 1.443 63.811 62.300 0.113 0.000 1.209 177 V CB 1.167 33.110 31.823 0.200 0.000 0.971 177 V HN -0.133 7.874 8.190 0.054 0.216 0.477 178 L N 0.811 122.079 121.223 0.075 0.000 1.970 178 L HA -0.502 nan 4.340 nan 0.000 0.212 178 L C 1.229 178.121 176.870 0.036 0.000 1.071 178 L CA 4.435 59.314 54.840 0.065 0.000 0.751 178 L CB 0.044 42.135 42.059 0.054 0.000 0.889 178 L HN 0.707 8.785 8.230 0.070 0.195 0.432 179 E N -2.110 118.104 120.200 0.023 0.000 2.021 179 E HA -0.350 nan 4.350 nan 0.000 0.189 179 E C 2.709 179.312 176.600 0.006 0.000 0.980 179 E CA 3.082 59.487 56.400 0.008 0.000 0.803 179 E CB -0.158 29.543 29.700 0.002 0.000 0.766 179 E HN 0.087 8.339 8.360 0.025 0.123 0.449 180 K N -1.408 118.997 120.400 0.009 0.000 2.001 180 K HA -0.317 nan 4.320 nan 0.000 0.214 180 K C 2.596 179.199 176.600 0.005 0.000 1.050 180 K CA 3.186 59.476 56.287 0.005 0.000 0.934 180 K CB -0.073 32.432 32.500 0.008 0.000 0.718 180 K HN -0.628 7.630 8.250 0.013 0.000 0.443 181 V N -2.784 117.141 119.914 0.018 0.000 3.565 181 V HA -0.005 nan 4.120 nan 0.000 0.260 181 V C 0.870 176.961 176.094 -0.004 0.000 1.231 181 V CA 2.038 64.343 62.300 0.009 0.000 1.100 181 V CB 0.374 32.212 31.823 0.025 0.000 0.807 181 V HN -0.213 7.886 8.190 0.034 0.111 0.454 182 L N -2.113 119.115 121.223 0.008 0.000 2.577 182 L HA 0.248 nan 4.340 nan 0.000 0.225 182 L C -0.126 176.742 176.870 -0.004 0.000 1.053 182 L CA 1.254 56.094 54.840 0.001 0.000 0.866 182 L CB 1.286 43.364 42.059 0.031 0.000 1.132 182 L HN -0.354 7.800 8.230 0.020 0.088 0.486 183 L N -1.497 119.725 121.223 -0.001 0.000 2.416 183 L HA -0.159 nan 4.340 nan 0.000 0.272 183 L C -1.102 175.754 176.870 -0.024 0.000 1.161 183 L CA -0.091 54.743 54.840 -0.011 0.000 0.845 183 L CB 0.263 42.315 42.059 -0.011 0.000 1.119 183 L HN -0.163 8.069 8.230 0.004 0.000 0.464 184 R N 2.615 123.095 120.500 -0.032 0.000 2.679 184 R HA 0.068 nan 4.340 nan 0.000 0.269 184 R C -0.724 175.560 176.300 -0.026 0.000 1.076 184 R CA 0.415 56.491 56.100 -0.040 0.000 1.160 184 R CB 0.724 30.992 30.300 -0.054 0.000 1.054 184 R HN -0.146 8.106 8.270 -0.030 0.000 0.507 185 R N 1.149 121.636 120.500 -0.022 0.000 2.207 185 R HA 0.104 nan 4.340 nan 0.000 0.180 185 R C -0.368 175.935 176.300 0.004 0.000 1.445 185 R CA -0.186 55.907 56.100 -0.011 0.000 1.217 185 R CB 0.052 30.343 30.300 -0.015 0.000 1.135 185 R HN 0.472 8.724 8.270 -0.030 0.000 0.481 186 E N -0.064 120.142 120.200 0.009 0.000 2.214 186 E HA 0.047 nan 4.350 nan 0.000 0.274 186 E C -1.255 175.391 176.600 0.076 0.000 0.977 186 E CA -1.398 55.028 56.400 0.043 0.000 0.827 186 E CB 1.317 31.035 29.700 0.031 0.000 1.130 186 E HN -0.253 8.104 8.360 -0.005 0.000 0.394 187 F N 2.421 122.342 119.950 -0.049 0.000 2.571 187 F HA -0.096 nan 4.527 nan 0.000 0.384 187 F C -0.686 175.077 175.800 -0.061 0.000 1.058 187 F CA 0.172 58.139 58.000 -0.055 0.000 1.200 187 F CB 0.565 39.527 39.000 -0.064 0.000 1.077 187 F HN 0.060 8.495 8.300 0.225 0.000 0.558 188 I N 9.278 129.640 120.570 -0.347 0.000 2.315 188 I HA 0.298 nan 4.170 nan 0.000 0.291 188 I C -1.641 174.223 176.117 -0.421 0.000 1.006 188 I CA -3.351 57.814 61.300 -0.226 0.000 1.265 188 I CB 1.618 39.496 38.000 -0.205 0.000 1.387 188 I HN 0.198 8.425 8.210 -0.524 -0.331 0.475 189 P HA 0.217 nan 4.420 nan 0.000 0.282 189 P C -1.404 175.842 177.300 -0.090 0.000 1.249 189 P CA -1.232 61.936 63.100 0.112 0.000 0.806 189 P CB 0.563 32.424 31.700 0.270 0.000 0.984 190 D N 1.480 121.803 120.400 -0.129 0.000 2.455 190 D HA -0.035 nan 4.640 nan 0.000 0.241 190 D C 0.958 177.159 176.300 -0.166 0.000 1.138 190 D CA -2.145 51.733 54.000 -0.204 0.000 0.877 190 D CB 1.505 42.154 40.800 -0.252 0.000 1.187 190 D HN 0.153 8.475 8.370 -0.080 0.000 0.451 191 P HA 0.092 nan 4.420 nan 0.000 0.249 191 P C -0.955 176.232 177.300 -0.187 0.000 1.229 191 P CA 0.992 63.993 63.100 -0.165 0.000 0.788 191 P CB -0.094 31.504 31.700 -0.169 0.000 1.072 192 Q N -3.227 116.432 119.800 -0.234 0.000 2.247 192 Q HA 0.143 nan 4.340 nan 0.000 0.211 192 Q C 0.156 176.063 176.000 -0.154 0.000 0.861 192 Q CA -0.447 55.200 55.803 -0.261 0.000 0.949 192 Q CB 0.533 29.018 28.738 -0.421 0.000 1.115 192 Q HN -0.661 7.809 8.270 -0.257 -0.354 0.507 193 G N -0.410 108.325 108.800 -0.107 0.000 2.198 193 G HA2 -0.471 nan 3.960 nan 0.000 0.257 193 G HA3 -0.471 nan 3.960 nan 0.000 0.257 193 G C -0.655 174.240 174.900 -0.009 0.000 1.042 193 G CA 0.187 45.266 45.100 -0.035 0.000 0.791 193 G HN -0.574 7.592 8.290 -0.131 0.045 0.502 194 S N 1.675 117.299 115.700 -0.125 0.000 2.488 194 S HA -0.107 nan 4.470 nan 0.000 0.278 194 S C -0.777 173.715 174.600 -0.180 0.000 1.259 194 S CA 0.778 58.769 58.200 -0.349 0.000 1.061 194 S CB 0.408 63.198 63.200 -0.683 0.000 0.910 194 S HN 0.156 8.696 8.310 -0.171 -0.333 0.491 195 N N 6.452 125.105 118.700 -0.080 0.000 2.443 195 N HA 0.397 nan 4.740 nan 0.000 0.294 195 N C 0.882 176.418 175.510 0.044 0.000 1.289 195 N CA -0.747 52.319 53.050 0.027 0.000 0.966 195 N CB 0.180 38.729 38.487 0.103 0.000 1.122 195 N HN -0.160 8.051 8.380 -0.105 0.105 0.569 196 M N -1.878 117.736 119.600 0.022 0.000 2.514 196 M HA 0.130 nan 4.480 nan 0.000 0.258 196 M C 1.774 178.104 176.300 0.050 0.000 1.119 196 M CA 0.730 55.908 55.300 -0.203 0.000 1.111 196 M CB -0.871 31.328 32.600 -0.669 0.000 1.390 196 M HN -0.009 8.328 8.290 0.078 0.000 0.475 197 M N 1.770 121.585 119.600 0.359 0.000 2.098 197 M HA -0.262 nan 4.480 nan 0.000 0.262 197 M C 2.052 178.796 176.300 0.740 0.000 1.072 197 M CA 2.567 58.218 55.300 0.585 0.000 1.133 197 M CB -0.764 32.133 32.600 0.495 0.000 1.344 197 M HN -0.612 7.910 8.290 0.316 -0.041 0.414 198 F N 0.638 120.843 119.950 0.424 0.000 2.075 198 F HA -0.426 nan 4.527 nan 0.000 0.297 198 F C 0.713 176.563 175.800 0.084 0.000 1.113 198 F CA 3.615 61.625 58.000 0.018 0.000 1.218 198 F CB -0.285 38.567 39.000 -0.246 0.000 0.984 198 F HN 0.249 9.293 8.300 0.624 -0.370 0.472 199 A N -0.573 122.543 122.820 0.494 0.000 1.884 199 A HA -0.401 nan 4.320 nan 0.000 0.219 199 A C 2.359 180.057 177.584 0.190 0.000 1.197 199 A CA 3.055 55.256 52.037 0.274 0.000 0.637 199 A CB -0.936 18.025 19.000 -0.066 0.000 0.827 199 A HN -0.265 8.127 8.150 0.403 0.000 0.450 200 F N -3.519 116.588 119.950 0.261 0.000 2.407 200 F HA -0.210 nan 4.527 nan 0.000 0.299 200 F C 1.584 177.631 175.800 0.411 0.000 1.097 200 F CA 1.538 59.698 58.000 0.267 0.000 1.422 200 F CB -0.401 38.725 39.000 0.210 0.000 1.067 200 F HN -0.334 8.010 8.300 0.251 0.106 0.539 201 F N 2.123 122.407 119.950 0.556 0.000 2.084 201 F HA -0.454 nan 4.527 nan 0.000 0.296 201 F C 0.917 176.801 175.800 0.140 0.000 1.111 201 F CA 3.800 61.904 58.000 0.173 0.000 1.224 201 F CB 0.077 39.073 39.000 -0.007 0.000 0.991 201 F HN -0.425 8.226 8.300 0.800 0.129 0.471 202 A N -2.402 120.698 122.820 0.465 0.000 2.076 202 A HA -0.420 nan 4.320 nan 0.000 0.220 202 A C 1.199 178.999 177.584 0.360 0.000 1.160 202 A CA 3.046 55.419 52.037 0.560 0.000 0.653 202 A CB -1.026 18.247 19.000 0.456 0.000 0.801 202 A HN 0.373 8.683 8.150 0.266 0.000 0.455 203 Q N -2.085 117.856 119.800 0.234 0.000 2.107 203 Q HA -0.308 nan 4.340 nan 0.000 0.195 203 Q C 2.050 177.940 176.000 -0.183 0.000 0.964 203 Q CA 2.606 58.408 55.803 -0.001 0.000 0.833 203 Q CB 0.269 29.006 28.738 -0.002 0.000 0.910 203 Q HN -0.433 7.849 8.270 0.297 0.166 0.465 204 H N 0.514 119.424 119.070 -0.265 0.000 2.321 204 H HA -0.288 nan 4.556 nan 0.000 0.300 204 H C 1.592 176.764 175.328 -0.260 0.000 1.087 204 H CA 3.586 59.342 56.048 -0.488 0.000 1.319 204 H CB 0.077 29.540 29.762 -0.500 0.000 1.379 204 H HN -0.360 7.977 8.280 0.095 0.000 0.501 205 F N -1.613 118.097 119.950 -0.400 0.000 2.051 205 F HA -0.254 nan 4.527 nan 0.000 0.296 205 F C 1.454 176.935 175.800 -0.531 0.000 1.122 205 F CA 3.868 61.622 58.000 -0.410 0.000 1.201 205 F CB 0.304 39.138 39.000 -0.275 0.000 0.978 205 F HN 0.241 8.551 8.300 0.017 0.000 0.472 206 T N -2.741 111.436 114.554 -0.627 0.000 3.051 206 T HA -0.283 nan 4.350 nan 0.000 0.269 206 T C 1.741 175.913 174.700 -0.880 0.000 1.127 206 T CA 3.344 64.688 62.100 -1.260 0.000 1.107 206 T CB -0.817 67.818 68.868 -0.389 0.000 0.898 206 T HN -0.366 7.837 8.240 -0.062 0.000 0.517 207 H N 2.135 120.923 119.070 -0.470 0.000 2.543 207 H HA 0.079 nan 4.556 nan 0.000 0.269 207 H C -0.000 175.221 175.328 -0.178 0.000 1.005 207 H CA 0.817 56.783 56.048 -0.137 0.000 1.146 207 H CB -1.013 28.881 29.762 0.220 0.000 1.353 207 H HN -0.432 7.629 8.280 -0.072 0.175 0.595 208 Q N -1.833 117.762 119.800 -0.342 0.000 2.226 208 Q HA -0.131 nan 4.340 nan 0.000 0.199 208 Q C 0.571 176.408 176.000 -0.271 0.000 0.945 208 Q CA 2.009 57.667 55.803 -0.242 0.000 0.861 208 Q CB 0.737 29.334 28.738 -0.234 0.000 0.953 208 Q HN -0.602 7.197 8.270 -0.661 0.074 0.490 209 F N -4.431 115.247 119.950 -0.454 0.000 2.187 209 F HA -0.029 nan 4.527 nan 0.000 0.295 209 F C -0.313 175.226 175.800 -0.434 0.000 1.091 209 F CA -0.641 57.045 58.000 -0.523 0.000 1.308 209 F CB -0.009 38.580 39.000 -0.686 0.000 1.030 209 F HN -0.979 6.575 8.300 -1.244 0.000 0.487 210 F N -0.385 119.444 119.950 -0.201 0.000 2.445 210 F HA -0.081 nan 4.527 nan 0.000 0.359 210 F C 0.369 176.038 175.800 -0.218 0.000 1.101 210 F CA -0.162 57.744 58.000 -0.157 0.000 1.177 210 F CB -0.158 38.636 39.000 -0.343 0.000 1.110 210 F HN -0.199 7.540 8.300 -0.935 0.000 0.522 211 K N 2.748 123.210 120.400 0.104 0.000 2.850 211 K HA 0.134 nan 4.320 nan 0.000 0.175 211 K C -0.632 175.954 176.600 -0.024 0.000 1.137 211 K CA -0.499 55.779 56.287 -0.016 0.000 1.125 211 K CB 1.366 33.814 32.500 -0.087 0.000 0.766 211 K HN 0.002 8.432 8.250 0.301 0.000 0.438 212 T N 2.230 116.826 114.554 0.070 0.000 2.510 212 T HA -0.305 nan 4.350 nan 0.000 0.218 212 T C 0.212 174.695 174.700 -0.363 0.000 1.031 212 T CA 1.573 63.634 62.100 -0.065 0.000 1.169 212 T CB -0.190 68.617 68.868 -0.101 0.000 1.007 212 T HN -0.465 7.898 8.240 0.205 0.000 0.462 213 D N 6.545 126.845 120.400 -0.167 0.000 2.483 213 D HA 0.130 nan 4.640 nan 0.000 0.220 213 D C 0.481 176.745 176.300 -0.060 0.000 1.173 213 D CA -1.855 52.080 54.000 -0.108 0.000 0.964 213 D CB -0.087 40.685 40.800 -0.046 0.000 1.046 213 D HN 0.271 8.473 8.370 -0.061 0.131 0.517 214 H N 5.324 124.451 119.070 0.094 0.000 2.387 214 H HA -0.305 nan 4.556 nan 0.000 0.299 214 H C 1.158 176.523 175.328 0.061 0.000 1.090 214 H CA 2.939 59.045 56.048 0.098 0.000 1.332 214 H CB -0.053 29.752 29.762 0.071 0.000 1.386 214 H HN -0.290 7.776 8.280 -0.317 0.025 0.516 215 K N -0.821 119.654 120.400 0.124 0.000 2.113 215 K HA -0.281 nan 4.320 nan 0.000 0.208 215 K C 1.251 177.839 176.600 -0.021 0.000 1.047 215 K CA 2.473 58.784 56.287 0.040 0.000 0.928 215 K CB -0.040 32.458 32.500 -0.003 0.000 0.716 215 K HN 0.057 8.395 8.250 0.119 -0.017 0.446 216 R N -1.873 118.573 120.500 -0.090 0.000 2.112 216 R HA -0.043 nan 4.340 nan 0.000 0.216 216 R C -0.337 175.999 176.300 0.061 0.000 1.080 216 R CA -0.359 55.556 56.100 -0.309 0.000 0.996 216 R CB 1.368 31.111 30.300 -0.929 0.000 0.902 216 R HN -0.433 7.913 8.270 -0.056 -0.110 0.449 217 G N -4.036 104.928 108.800 0.273 0.000 2.353 217 G HA2 -0.030 nan 3.960 nan 0.000 0.424 217 G HA3 -0.030 nan 3.960 nan 0.000 0.424 217 G C -3.502 171.636 174.900 0.397 0.000 1.320 217 G CA -0.873 44.455 45.100 0.380 0.000 0.995 217 G HN -0.277 7.945 8.290 0.197 0.186 0.580 218 P HA 0.172 nan 4.420 nan 0.000 0.279 218 P C -0.263 177.156 177.300 0.199 0.000 1.239 218 P CA 0.055 63.293 63.100 0.230 0.000 0.789 218 P CB 0.095 31.893 31.700 0.164 0.000 0.933 219 G N -0.032 108.937 108.800 0.283 0.000 2.232 219 G HA2 -0.297 nan 3.960 nan 0.000 0.226 219 G HA3 -0.297 nan 3.960 nan 0.000 0.226 219 G C -1.609 173.347 174.900 0.092 0.000 0.996 219 G CA -0.093 45.135 45.100 0.213 0.000 0.626 219 G HN 0.313 8.849 8.290 0.411 0.000 0.509 220 F N 0.493 120.581 119.950 0.229 0.000 2.436 220 F HA 0.526 nan 4.527 nan 0.000 0.340 220 F C -0.956 174.678 175.800 -0.276 0.000 1.113 220 F CA -1.161 56.822 58.000 -0.029 0.000 1.022 220 F CB 1.466 40.459 39.000 -0.012 0.000 1.128 220 F HN -0.782 7.630 8.300 0.333 0.087 0.466 221 T N 3.748 118.072 114.554 -0.382 0.000 2.919 221 T HA 0.503 nan 4.350 nan 0.000 0.282 221 T C -1.678 172.876 174.700 -0.243 0.000 1.020 221 T CA -2.564 59.217 62.100 -0.533 0.000 0.994 221 T CB 2.046 70.296 68.868 -1.030 0.000 1.180 221 T HN 0.658 8.633 8.240 -0.262 0.107 0.566 222 R N -1.856 118.514 120.500 -0.216 0.000 2.541 222 R HA 0.230 nan 4.340 nan 0.000 0.332 222 R C 0.863 177.066 176.300 -0.161 0.000 0.951 222 R CA -0.401 55.609 56.100 -0.150 0.000 1.136 222 R CB 1.949 32.180 30.300 -0.116 0.000 1.449 222 R HN 0.306 8.435 8.270 -0.234 0.000 0.531 223 G N 1.241 109.911 108.800 -0.216 0.000 3.860 223 G HA2 0.275 nan 3.960 nan 0.000 0.269 223 G HA3 0.275 nan 3.960 nan 0.000 0.269 223 G C -0.991 173.769 174.900 -0.234 0.000 1.112 223 G CA -0.491 44.485 45.100 -0.208 0.000 1.674 223 G HN 0.209 8.336 8.290 -0.273 0.000 0.628 224 L N -0.386 120.758 121.223 -0.132 0.000 2.189 224 L HA -0.257 nan 4.340 nan 0.000 0.214 224 L C 1.775 178.692 176.870 0.079 0.000 1.097 224 L CA 1.661 56.495 54.840 -0.010 0.000 0.764 224 L CB 0.035 42.074 42.059 -0.033 0.000 0.900 224 L HN -0.682 7.399 8.230 -0.125 0.074 0.436 225 G N -4.083 104.703 108.800 -0.023 0.000 3.452 225 G HA2 -0.088 nan 3.960 nan 0.000 0.258 225 G HA3 -0.088 nan 3.960 nan 0.000 0.258 225 G C -0.938 173.951 174.900 -0.018 0.000 1.305 225 G CA -1.033 44.052 45.100 -0.026 0.000 1.514 225 G HN -0.113 8.098 8.290 -0.074 0.035 0.593 226 H N 1.179 120.155 119.070 -0.157 0.000 2.384 226 H HA -0.451 nan 4.556 nan 0.000 0.305 226 H C -1.021 174.163 175.328 -0.240 0.000 0.672 226 H CA 1.176 57.115 56.048 -0.182 0.000 1.187 226 H CB -1.125 28.525 29.762 -0.187 0.000 1.393 226 H HN -0.282 8.067 8.280 0.324 0.125 0.576 227 G N -5.432 103.237 108.800 -0.218 0.000 2.359 227 G HA2 -0.151 nan 3.960 nan 0.000 0.293 227 G HA3 -0.151 nan 3.960 nan 0.000 0.293 227 G C -1.570 173.177 174.900 -0.256 0.000 1.300 227 G CA -0.433 44.456 45.100 -0.351 0.000 0.888 227 G HN -0.580 7.599 8.290 -0.185 0.000 0.541 228 V N 1.805 121.553 119.914 -0.276 0.000 1.983 228 V HA -0.233 nan 4.120 nan 0.000 0.237 228 V C -0.312 175.712 176.094 -0.117 0.000 1.601 228 V CA -0.007 62.213 62.300 -0.134 0.000 1.566 228 V CB -2.756 29.026 31.823 -0.069 0.000 1.557 228 V HN 0.424 8.408 8.190 -0.343 0.000 0.500 229 D N -0.153 120.162 120.400 -0.143 0.000 2.340 229 D HA -0.032 nan 4.640 nan 0.000 0.217 229 D C 0.377 176.576 176.300 -0.170 0.000 1.081 229 D CA -1.313 52.609 54.000 -0.129 0.000 0.842 229 D CB 0.730 41.463 40.800 -0.112 0.000 0.934 229 D HN 0.126 8.360 8.370 -0.143 0.050 0.511 230 L N -4.758 116.269 121.223 -0.327 0.000 3.970 230 L HA -0.460 nan 4.340 nan 0.000 0.425 230 L C 0.768 177.371 176.870 -0.444 0.000 1.162 230 L CA 0.364 54.862 54.840 -0.570 0.000 0.968 230 L CB -2.648 39.266 42.059 -0.242 0.000 1.896 230 L HN -0.058 7.981 8.230 -0.320 -0.001 1.006 231 N N 0.799 119.283 118.700 -0.359 0.000 2.223 231 N HA -0.366 nan 4.740 nan 0.000 0.185 231 N C 0.826 176.206 175.510 -0.216 0.000 1.016 231 N CA 3.270 56.205 53.050 -0.192 0.000 0.863 231 N CB -0.317 38.071 38.487 -0.165 0.000 0.983 231 N HN 0.219 8.628 8.380 -0.364 -0.247 0.429 232 H N -2.596 116.321 119.070 -0.256 0.000 2.422 232 H HA -0.268 nan 4.556 nan 0.000 0.298 232 H C 1.704 176.847 175.328 -0.308 0.000 1.098 232 H CA 1.971 57.781 56.048 -0.396 0.000 1.315 232 H CB -0.976 28.519 29.762 -0.446 0.000 1.382 232 H HN -0.166 7.713 8.280 -0.625 0.026 0.523 233 I N -0.741 119.855 120.570 0.043 0.000 2.494 233 I HA -0.307 nan 4.170 nan 0.000 0.250 233 I C 0.843 176.777 176.117 -0.304 0.000 1.112 233 I CA 2.447 63.654 61.300 -0.155 0.000 1.438 233 I CB 0.717 38.402 38.000 -0.524 0.000 1.111 233 I HN -0.553 7.373 8.210 -0.243 0.139 0.431 234 Y N -2.978 117.286 120.300 -0.059 0.000 2.495 234 Y HA -0.085 nan 4.550 nan 0.000 0.293 234 Y C -0.047 175.829 175.900 -0.040 0.000 1.186 234 Y CA -0.486 57.595 58.100 -0.032 0.000 1.266 234 Y CB -0.250 38.205 38.460 -0.008 0.000 1.101 234 Y HN -0.652 7.499 8.280 -0.110 0.063 0.517 235 G N -0.342 108.479 108.800 0.035 0.000 2.767 235 G HA2 -0.353 nan 3.960 nan 0.000 0.686 235 G HA3 -0.353 nan 3.960 nan 0.000 0.686 235 G C -0.110 174.767 174.900 -0.038 0.000 1.213 235 G CA -0.096 44.996 45.100 -0.013 0.000 0.803 235 G HN -0.672 7.549 8.290 -0.022 0.056 0.603 236 E N 1.295 121.451 120.200 -0.072 0.000 2.472 236 E HA -0.092 nan 4.350 nan 0.000 0.200 236 E C -0.020 176.535 176.600 -0.074 0.000 1.046 236 E CA 1.624 57.973 56.400 -0.084 0.000 0.871 236 E CB 0.083 29.726 29.700 -0.095 0.000 0.806 236 E HN 0.637 8.950 8.360 -0.078 0.000 0.533 237 T N -5.606 108.906 114.554 -0.069 0.000 2.544 237 T HA 0.172 nan 4.350 nan 0.000 0.244 237 T C -1.634 172.999 174.700 -0.112 0.000 0.829 237 T CA -1.181 60.869 62.100 -0.082 0.000 1.210 237 T CB 1.785 70.605 68.868 -0.081 0.000 1.487 237 T HN -0.728 7.387 8.240 -0.061 0.089 0.488 238 L N -2.122 119.003 121.223 -0.163 0.000 2.515 238 L HA 0.538 nan 4.340 nan 0.000 0.202 238 L C 1.004 177.617 176.870 -0.429 0.000 1.056 238 L CA 1.264 55.915 54.840 -0.315 0.000 0.847 238 L CB 0.676 42.580 42.059 -0.258 0.000 1.131 238 L HN -0.021 8.127 8.230 -0.136 0.000 0.484 239 D N 0.007 120.278 120.400 -0.214 0.000 2.104 239 D HA -0.317 nan 4.640 nan 0.000 0.194 239 D C 2.604 178.876 176.300 -0.047 0.000 0.994 239 D CA 3.997 57.939 54.000 -0.096 0.000 0.830 239 D CB -0.129 40.648 40.800 -0.039 0.000 0.959 239 D HN 0.056 8.334 8.370 -0.154 0.000 0.452 240 R N -1.242 119.222 120.500 -0.061 0.000 2.090 240 R HA -0.206 nan 4.340 nan 0.000 0.228 240 R C 1.536 177.825 176.300 -0.019 0.000 1.110 240 R CA 2.359 58.444 56.100 -0.026 0.000 0.973 240 R CB 0.015 30.294 30.300 -0.034 0.000 0.869 240 R HN -0.128 8.086 8.270 -0.082 0.007 0.440 241 Q N -2.376 117.386 119.800 -0.063 0.000 2.124 241 Q HA -0.250 nan 4.340 nan 0.000 0.202 241 Q C 2.664 178.644 176.000 -0.033 0.000 0.977 241 Q CA 2.850 58.634 55.803 -0.031 0.000 0.850 241 Q CB -0.022 28.668 28.738 -0.080 0.000 0.901 241 Q HN -0.009 8.113 8.270 -0.112 0.080 0.429 242 H N -0.295 118.750 119.070 -0.042 0.000 2.357 242 H HA -0.103 nan 4.556 nan 0.000 0.301 242 H C 2.520 177.820 175.328 -0.047 0.000 1.082 242 H CA 2.039 58.090 56.048 0.004 0.000 1.342 242 H CB -0.063 29.816 29.762 0.194 0.000 1.389 242 H HN 0.139 8.232 8.280 -0.128 0.111 0.511 243 K N -1.016 119.457 120.400 0.121 0.000 2.574 243 K HA -0.159 nan 4.320 nan 0.000 0.193 243 K C 1.204 177.807 176.600 0.005 0.000 1.035 243 K CA 1.966 58.292 56.287 0.065 0.000 0.982 243 K CB -0.463 32.073 32.500 0.060 0.000 0.795 243 K HN -0.570 7.673 8.250 0.117 0.078 0.491 244 L N -3.672 117.525 121.223 -0.042 0.000 2.803 244 L HA 0.084 nan 4.340 nan 0.000 0.246 244 L C -0.753 176.037 176.870 -0.133 0.000 1.100 244 L CA -0.595 54.216 54.840 -0.047 0.000 0.919 244 L CB 1.683 43.742 42.059 -0.001 0.000 1.285 244 L HN -0.602 7.497 8.230 -0.053 0.099 0.522 245 R N 0.120 120.438 120.500 -0.304 0.000 2.490 245 R HA -0.053 nan 4.340 nan 0.000 0.280 245 R C -0.111 175.828 176.300 -0.602 0.000 1.077 245 R CA 0.922 56.703 56.100 -0.533 0.000 1.065 245 R CB 0.950 30.666 30.300 -0.972 0.000 1.003 245 R HN -0.687 7.279 8.270 -0.314 0.115 0.470 246 L N 6.869 127.873 121.223 -0.365 0.000 2.179 246 L HA -0.080 nan 4.340 nan 0.000 0.208 246 L C -0.374 176.459 176.870 -0.063 0.000 1.096 246 L CA 1.011 55.733 54.840 -0.196 0.000 0.779 246 L CB 0.890 42.856 42.059 -0.154 0.000 0.922 246 L HN 0.320 8.393 8.230 -0.262 0.000 0.443 247 F N -5.097 114.839 119.950 -0.023 0.000 2.975 247 F HA -0.422 nan 4.527 nan 0.000 0.319 247 F C -1.415 174.383 175.800 -0.003 0.000 0.976 247 F CA 1.093 59.069 58.000 -0.041 0.000 1.072 247 F CB -1.950 36.998 39.000 -0.086 0.000 1.165 247 F HN -0.531 7.535 8.300 -0.343 0.028 0.758 248 K N -0.142 120.351 120.400 0.154 0.000 2.587 248 K HA 0.078 nan 4.320 nan 0.000 0.256 248 K C -1.650 175.031 176.600 0.135 0.000 0.974 248 K CA -0.350 56.012 56.287 0.125 0.000 0.855 248 K CB 2.507 35.055 32.500 0.081 0.000 1.292 248 K HN -0.476 7.906 8.250 0.120 -0.060 0.444 249 D N 1.956 122.447 120.400 0.152 0.000 2.911 249 D HA -0.340 nan 4.640 nan 0.000 0.227 249 D C -0.144 176.284 176.300 0.213 0.000 1.164 249 D CA 1.332 55.435 54.000 0.171 0.000 0.782 249 D CB -1.519 39.369 40.800 0.146 0.000 1.094 249 D HN 0.790 9.247 8.370 0.144 0.000 0.425 250 G N -6.698 102.251 108.800 0.248 0.000 2.196 250 G HA2 -0.583 nan 3.960 nan 0.000 0.268 250 G HA3 -0.583 nan 3.960 nan 0.000 0.268 250 G C -0.484 174.690 174.900 0.457 0.000 0.975 250 G CA 0.511 45.825 45.100 0.357 0.000 0.648 250 G HN -0.025 8.526 8.290 0.224 -0.126 0.538 251 K N 0.261 120.843 120.400 0.303 0.000 2.380 251 K HA -0.053 nan 4.320 nan 0.000 0.267 251 K C -1.134 175.571 176.600 0.175 0.000 0.990 251 K CA 0.112 56.565 56.287 0.276 0.000 0.946 251 K CB 0.531 33.089 32.500 0.097 0.000 0.937 251 K HN -0.299 7.881 8.250 0.221 0.202 0.491 252 L N 2.306 123.613 121.223 0.139 0.000 2.334 252 L HA 0.330 nan 4.340 nan 0.000 0.277 252 L C -0.361 176.434 176.870 -0.126 0.000 1.075 252 L CA -1.904 52.930 54.840 -0.010 0.000 0.804 252 L CB 0.978 43.016 42.059 -0.035 0.000 1.174 252 L HN -0.177 8.562 8.230 0.272 -0.346 0.438 253 K N 6.302 126.611 120.400 -0.152 0.000 2.355 253 K HA -0.057 nan 4.320 nan 0.000 0.270 253 K C -1.681 174.856 176.600 -0.105 0.000 1.003 253 K CA 1.203 57.358 56.287 -0.220 0.000 0.957 253 K CB 1.179 33.608 32.500 -0.119 0.000 0.939 253 K HN 0.361 8.440 8.250 -0.115 0.102 0.482 254 Y N -1.034 119.271 120.300 0.008 0.000 2.829 254 Y HA 0.413 nan 4.550 nan 0.000 0.322 254 Y C -2.249 173.649 175.900 -0.002 0.000 1.357 254 Y CA -1.854 56.237 58.100 -0.015 0.000 1.081 254 Y CB 1.669 40.112 38.460 -0.027 0.000 1.339 254 Y HN -0.437 7.624 8.280 -0.365 0.000 0.469 255 Q N -3.260 116.739 119.800 0.331 0.000 2.386 255 Q HA 0.287 nan 4.340 nan 0.000 0.274 255 Q C -2.380 173.666 176.000 0.076 0.000 1.011 255 Q CA -1.065 54.863 55.803 0.209 0.000 0.867 255 Q CB 4.181 33.012 28.738 0.155 0.000 1.409 255 Q HN 0.473 8.780 8.270 0.193 0.079 0.395 256 V N 4.007 123.954 119.914 0.055 0.000 2.364 256 V HA 0.456 nan 4.120 nan 0.000 0.272 256 V C -0.640 175.503 176.094 0.082 0.000 1.036 256 V CA -0.371 61.938 62.300 0.014 0.000 0.880 256 V CB 0.099 31.898 31.823 -0.040 0.000 0.991 256 V HN 0.516 8.761 8.190 0.092 0.000 0.460 257 I N 7.764 128.428 120.570 0.157 0.000 2.337 257 I HA 0.147 nan 4.170 nan 0.000 0.285 257 I C 0.841 177.035 176.117 0.128 0.000 1.041 257 I CA -0.959 60.433 61.300 0.153 0.000 1.199 257 I CB -0.099 38.008 38.000 0.178 0.000 1.370 257 I HN 0.700 9.035 8.210 0.210 0.000 0.470 258 G N 8.620 117.461 108.800 0.069 0.000 2.451 258 G HA2 -0.423 nan 3.960 nan 0.000 0.253 258 G HA3 -0.423 nan 3.960 nan 0.000 0.253 258 G C 0.253 175.174 174.900 0.036 0.000 1.033 258 G CA 1.090 46.220 45.100 0.051 0.000 0.633 258 G HN 0.736 9.061 8.290 0.057 0.000 0.537 259 G N -0.847 107.973 108.800 0.032 0.000 4.106 259 G HA2 -0.121 nan 3.960 nan 0.000 0.220 259 G HA3 -0.121 nan 3.960 nan 0.000 0.220 259 G C -1.316 173.551 174.900 -0.055 0.000 0.853 259 G CA -0.183 44.910 45.100 -0.011 0.000 0.920 259 G HN -0.026 8.178 8.290 0.059 0.120 0.715 260 E N 0.636 120.810 120.200 -0.043 0.000 2.227 260 E HA 0.404 nan 4.350 nan 0.000 0.268 260 E C -1.489 174.895 176.600 -0.359 0.000 0.907 260 E CA -2.079 54.188 56.400 -0.221 0.000 0.786 260 E CB 2.680 32.212 29.700 -0.280 0.000 1.191 260 E HN -0.250 8.044 8.360 0.059 0.102 0.411 261 V N 2.630 122.239 119.914 -0.508 0.000 2.508 261 V HA 0.147 nan 4.120 nan 0.000 0.281 261 V C -1.498 174.174 176.094 -0.704 0.000 1.041 261 V CA 0.705 62.700 62.300 -0.508 0.000 1.016 261 V CB -0.421 31.102 31.823 -0.500 0.000 0.984 261 V HN 0.440 8.348 8.190 -0.470 0.000 0.478 262 Y N 5.042 125.212 120.300 -0.216 0.000 2.545 262 Y HA 0.429 nan 4.550 nan 0.000 0.348 262 Y C -2.620 173.085 175.900 -0.325 0.000 1.002 262 Y CA -3.138 54.737 58.100 -0.376 0.000 1.039 262 Y CB 3.302 41.443 38.460 -0.532 0.000 1.271 262 Y HN 0.708 8.791 8.280 -0.140 0.113 0.467 263 P HA -0.000 nan 4.420 nan 0.000 0.267 263 P C -2.357 174.930 177.300 -0.022 0.000 1.201 263 P CA -0.498 62.530 63.100 -0.120 0.000 0.775 263 P CB -0.681 30.952 31.700 -0.111 0.000 0.854 264 P HA 0.022 nan 4.420 nan 0.000 0.271 264 P C -1.317 176.093 177.300 0.183 0.000 1.233 264 P CA -0.773 62.395 63.100 0.112 0.000 0.789 264 P CB 1.275 33.020 31.700 0.075 0.000 0.951 265 T N -6.118 108.541 114.554 0.174 0.000 2.909 265 T HA 0.141 nan 4.350 nan 0.000 0.289 265 T C 1.136 175.909 174.700 0.121 0.000 1.005 265 T CA -1.362 60.844 62.100 0.175 0.000 1.084 265 T CB 1.818 70.757 68.868 0.119 0.000 0.975 265 T HN -0.304 8.018 8.240 0.137 0.000 0.509 266 V N 3.332 123.315 119.914 0.116 0.000 2.469 266 V HA -0.342 nan 4.120 nan 0.000 0.251 266 V C 0.502 176.631 176.094 0.059 0.000 1.064 266 V CA 3.375 65.732 62.300 0.096 0.000 1.066 266 V CB -0.557 31.329 31.823 0.106 0.000 0.667 266 V HN 0.721 8.985 8.190 0.123 0.000 0.461 267 K N -3.550 116.874 120.400 0.040 0.000 2.097 267 K HA -0.237 nan 4.320 nan 0.000 0.206 267 K C 0.535 177.156 176.600 0.035 0.000 1.049 267 K CA 2.451 58.754 56.287 0.027 0.000 0.933 267 K CB -0.073 32.433 32.500 0.010 0.000 0.717 267 K HN 0.167 8.422 8.250 0.035 0.015 0.442 268 D N -2.603 117.826 120.400 0.048 0.000 2.107 268 D HA -0.061 nan 4.640 nan 0.000 0.204 268 D C 0.459 176.788 176.300 0.047 0.000 0.978 268 D CA 1.821 55.850 54.000 0.049 0.000 0.852 268 D CB 1.392 42.227 40.800 0.060 0.000 1.008 268 D HN -0.558 7.713 8.370 0.059 0.134 0.458 269 T N -1.715 112.872 114.554 0.054 0.000 2.762 269 T HA 0.305 nan 4.350 nan 0.000 0.303 269 T C 1.223 175.953 174.700 0.051 0.000 0.977 269 T CA -0.998 61.131 62.100 0.048 0.000 0.961 269 T CB -0.263 68.631 68.868 0.043 0.000 0.944 269 T HN -0.164 8.115 8.240 0.065 0.000 0.481 270 Q N 5.612 125.439 119.800 0.044 0.000 2.594 270 Q HA -0.213 nan 4.340 nan 0.000 0.215 270 Q C -0.042 175.981 176.000 0.038 0.000 0.962 270 Q CA 0.470 56.297 55.803 0.040 0.000 1.003 270 Q CB -1.886 26.871 28.738 0.032 0.000 1.000 270 Q HN 0.636 8.931 8.270 0.043 0.000 0.571 271 V N -0.367 119.573 119.914 0.043 0.000 2.493 271 V HA -0.121 nan 4.120 nan 0.000 0.292 271 V C -0.752 175.364 176.094 0.037 0.000 1.016 271 V CA -0.040 62.280 62.300 0.035 0.000 1.097 271 V CB 0.415 32.258 31.823 0.035 0.000 0.947 271 V HN -0.221 7.875 8.190 0.048 0.123 0.479 272 E N 7.681 127.893 120.200 0.020 0.000 2.413 272 E HA 0.007 nan 4.350 nan 0.000 0.263 272 E C -1.392 175.214 176.600 0.009 0.000 1.015 272 E CA 1.128 57.538 56.400 0.016 0.000 0.916 272 E CB 0.944 30.644 29.700 -0.001 0.000 0.947 272 E HN 0.207 8.573 8.360 0.011 0.000 0.440 273 M N -0.590 119.020 119.600 0.017 0.000 2.744 273 M HA 0.561 nan 4.480 nan 0.000 0.283 273 M C -0.744 175.496 176.300 -0.100 0.000 1.275 273 M CA -1.861 53.414 55.300 -0.042 0.000 0.796 273 M CB 4.698 37.315 32.600 0.029 0.000 1.739 273 M HN 0.102 8.413 8.290 0.036 0.000 0.454 274 I N 0.947 121.353 120.570 -0.274 0.000 2.420 274 I HA 0.120 nan 4.170 nan 0.000 0.282 274 I C -1.989 173.862 176.117 -0.443 0.000 1.019 274 I CA -0.349 60.803 61.300 -0.247 0.000 1.130 274 I CB 0.342 38.242 38.000 -0.166 0.000 1.262 274 I HN -0.071 7.897 8.210 -0.402 0.000 0.454 275 Y N 5.765 125.991 120.300 -0.123 0.000 2.470 275 Y HA 0.333 nan 4.550 nan 0.000 0.341 275 Y C -2.217 173.507 175.900 -0.293 0.000 1.021 275 Y CA -3.169 54.809 58.100 -0.203 0.000 1.025 275 Y CB 1.884 40.237 38.460 -0.179 0.000 1.266 275 Y HN -0.030 8.237 8.280 -0.022 0.000 0.448 276 P HA 0.190 nan 4.420 nan 0.000 0.264 276 P C -1.850 175.201 177.300 -0.415 0.000 1.193 276 P CA -1.232 61.627 63.100 -0.402 0.000 0.763 276 P CB -0.208 31.148 31.700 -0.573 0.000 0.810 277 P HA -0.126 nan 4.420 nan 0.000 0.229 277 P C -1.263 176.045 177.300 0.013 0.000 1.597 277 P CA 1.159 64.216 63.100 -0.072 0.000 1.030 277 P CB -1.669 30.027 31.700 -0.007 0.000 1.897 278 H N -5.454 113.590 119.070 -0.043 0.000 2.111 278 H HA 0.009 nan 4.556 nan 0.000 0.140 278 H C -0.552 174.738 175.328 -0.064 0.000 0.997 278 H CA -0.388 55.635 56.048 -0.042 0.000 0.591 278 H CB 0.708 30.454 29.762 -0.027 0.000 0.517 278 H HN 0.368 8.422 8.280 -0.306 0.043 0.374 279 I N 6.392 126.707 120.570 -0.424 0.000 2.741 279 I HA -0.034 nan 4.170 nan 0.000 0.288 279 I C 0.218 176.209 176.117 -0.210 0.000 1.192 279 I CA -0.940 60.178 61.300 -0.304 0.000 1.426 279 I CB -0.112 37.627 38.000 -0.434 0.000 1.367 279 I HN 0.032 7.841 8.210 -0.668 0.000 0.563 280 P HA -0.278 nan 4.420 nan 0.000 0.223 280 P C -1.102 176.106 177.300 -0.152 0.000 1.138 280 P CA 1.625 64.645 63.100 -0.133 0.000 0.787 280 P CB -0.314 31.306 31.700 -0.134 0.000 0.752 281 E N -7.436 112.634 120.200 -0.217 0.000 3.916 281 E HA -0.411 nan 4.350 nan 0.000 0.331 281 E C -0.482 176.010 176.600 -0.179 0.000 0.729 281 E CA 1.553 57.840 56.400 -0.188 0.000 1.222 281 E CB -1.479 28.159 29.700 -0.104 0.000 1.633 281 E HN 0.047 8.126 8.360 -0.276 0.115 0.437 282 N N -3.021 115.550 118.700 -0.214 0.000 2.273 282 N HA -0.008 nan 4.740 nan 0.000 0.192 282 N C 0.405 175.707 175.510 -0.348 0.000 1.132 282 N CA 0.348 53.294 53.050 -0.174 0.000 0.887 282 N CB 0.191 38.603 38.487 -0.125 0.000 1.048 282 N HN -0.060 8.062 8.380 -0.233 0.118 0.490 283 L N 1.156 122.059 121.223 -0.533 0.000 2.034 283 L HA 0.053 nan 4.340 nan 0.000 0.203 283 L C -0.601 175.575 176.870 -1.158 0.000 1.074 283 L CA 2.320 56.611 54.840 -0.915 0.000 0.748 283 L CB -0.699 40.900 42.059 -0.767 0.000 0.905 283 L HN -0.508 7.422 8.230 -0.445 0.033 0.439 284 Q N -0.860 118.336 119.800 -1.007 0.000 2.608 284 Q HA -0.322 nan 4.340 nan 0.000 0.241 284 Q C -0.983 174.963 176.000 -0.090 0.000 1.098 284 Q CA 0.809 56.080 55.803 -0.887 0.000 1.081 284 Q CB -2.308 26.165 28.738 -0.441 0.000 1.381 284 Q HN 0.134 7.872 8.270 -0.888 0.000 0.431 285 F N 0.785 120.797 119.950 0.104 0.000 2.410 285 F HA 0.065 nan 4.527 nan 0.000 0.334 285 F C 0.372 176.310 175.800 0.230 0.000 1.134 285 F CA -1.519 56.579 58.000 0.164 0.000 1.227 285 F CB 0.537 39.629 39.000 0.154 0.000 1.194 285 F HN 0.123 8.366 8.300 -0.077 0.011 0.571 286 A N 3.907 126.936 122.820 0.348 0.000 1.887 286 A HA -0.079 nan 4.320 nan 0.000 0.212 286 A C 0.713 178.383 177.584 0.143 0.000 1.198 286 A CA 2.963 55.122 52.037 0.204 0.000 0.628 286 A CB -0.110 18.974 19.000 0.140 0.000 0.847 286 A HN 0.790 9.141 8.150 0.335 0.000 0.449 287 V N -6.478 113.517 119.914 0.135 0.000 0.516 287 V HA -0.502 nan 4.120 nan 0.000 0.091 287 V C 1.134 177.251 176.094 0.039 0.000 2.334 287 V CA 2.270 64.635 62.300 0.109 0.000 3.605 287 V CB -1.534 30.408 31.823 0.199 0.000 0.917 287 V HN 0.424 8.697 8.190 0.138 0.000 0.945 288 G N 0.336 109.129 108.800 -0.012 0.000 4.020 288 G HA2 -0.163 nan 3.960 nan 0.000 0.195 288 G HA3 -0.163 nan 3.960 nan 0.000 0.195 288 G C -1.214 173.575 174.900 -0.185 0.000 1.819 288 G CA -0.126 44.928 45.100 -0.077 0.000 1.109 288 G HN 0.069 8.306 8.290 0.000 0.054 0.385 289 Q N 4.075 123.639 119.800 -0.393 0.000 2.389 289 Q HA 0.105 nan 4.340 nan 0.000 0.244 289 Q C 0.351 176.085 176.000 -0.444 0.000 1.056 289 Q CA -0.993 54.434 55.803 -0.626 0.000 0.908 289 Q CB -0.051 27.791 28.738 -1.493 0.000 1.273 289 Q HN -0.226 7.803 8.270 -0.400 0.000 0.471 290 E N 7.463 127.522 120.200 -0.234 0.000 2.279 290 E HA -0.487 nan 4.350 nan 0.000 0.205 290 E C 0.998 177.530 176.600 -0.115 0.000 1.028 290 E CA 3.345 59.659 56.400 -0.143 0.000 0.830 290 E CB 0.118 29.757 29.700 -0.102 0.000 0.736 290 E HN 0.011 8.420 8.360 -0.209 -0.175 0.478 291 V N -0.661 119.221 119.914 -0.053 0.000 2.535 291 V HA -0.230 nan 4.120 nan 0.000 0.246 291 V C 1.400 177.617 176.094 0.205 0.000 1.045 291 V CA 3.383 65.732 62.300 0.082 0.000 1.058 291 V CB -0.411 31.526 31.823 0.190 0.000 0.689 291 V HN -0.186 8.189 8.190 -0.125 -0.259 0.461 292 F N -1.295 118.649 119.950 -0.010 0.000 2.331 292 F HA -0.348 nan 4.527 nan 0.000 0.299 292 F C 1.468 177.251 175.800 -0.028 0.000 1.041 292 F CA 0.921 58.922 58.000 0.001 0.000 1.417 292 F CB -1.999 37.026 39.000 0.041 0.000 1.102 292 F HN -0.193 8.289 8.300 0.304 0.000 0.558 293 G N -3.460 105.371 108.800 0.052 0.000 2.777 293 G HA2 -0.152 nan 3.960 nan 0.000 0.211 293 G HA3 -0.152 nan 3.960 nan 0.000 0.211 293 G C 0.353 175.278 174.900 0.041 0.000 1.149 293 G CA 0.448 45.523 45.100 -0.042 0.000 0.785 293 G HN -0.760 7.421 8.290 -0.044 0.083 0.536 294 L N -0.894 120.372 121.223 0.072 0.000 2.610 294 L HA 0.038 nan 4.340 nan 0.000 0.232 294 L C -1.206 175.689 176.870 0.040 0.000 1.149 294 L CA 0.641 55.647 54.840 0.277 0.000 0.872 294 L CB 0.096 42.364 42.059 0.348 0.000 0.992 294 L HN -0.074 8.137 8.230 0.051 0.050 0.447 295 V N -2.713 117.148 119.914 -0.088 0.000 2.697 295 V HA 0.160 nan 4.120 nan 0.000 0.300 295 V C -2.393 173.463 176.094 -0.397 0.000 1.115 295 V CA -1.690 60.438 62.300 -0.286 0.000 0.912 295 V CB 2.019 33.723 31.823 -0.199 0.000 1.024 295 V HN -0.886 7.210 8.190 -0.043 0.068 0.431 296 P HA -0.187 nan 4.420 nan 0.000 0.220 296 P C 1.008 178.046 177.300 -0.435 0.000 1.144 296 P CA 2.904 65.675 63.100 -0.547 0.000 0.800 296 P CB 0.285 31.491 31.700 -0.823 0.000 0.772 297 G N -2.759 105.648 108.800 -0.655 0.000 2.394 297 G HA2 -0.168 nan 3.960 nan 0.000 0.214 297 G HA3 -0.168 nan 3.960 nan 0.000 0.214 297 G C 1.356 175.871 174.900 -0.641 0.000 1.176 297 G CA 1.672 46.178 45.100 -0.990 0.000 0.786 297 G HN 0.112 7.892 8.290 -0.766 0.050 0.533 298 L N 2.476 123.360 121.223 -0.565 0.000 1.944 298 L HA -0.274 nan 4.340 nan 0.000 0.218 298 L C 2.236 178.962 176.870 -0.241 0.000 1.075 298 L CA 2.228 56.822 54.840 -0.411 0.000 0.767 298 L CB -0.693 41.092 42.059 -0.457 0.000 0.890 298 L HN -0.523 7.331 8.230 -0.626 0.000 0.434 299 M N -1.737 117.777 119.600 -0.144 0.000 2.255 299 M HA -0.433 nan 4.480 nan 0.000 0.259 299 M C 1.823 178.069 176.300 -0.091 0.000 1.071 299 M CA 2.534 57.828 55.300 -0.010 0.000 1.074 299 M CB -0.560 32.078 32.600 0.063 0.000 1.384 299 M HN -0.599 7.588 8.290 -0.171 0.000 0.415 300 M N -0.921 118.533 119.600 -0.243 0.000 2.123 300 M HA -0.341 nan 4.480 nan 0.000 0.263 300 M C 1.900 178.058 176.300 -0.237 0.000 1.069 300 M CA 4.185 59.286 55.300 -0.331 0.000 1.133 300 M CB -0.415 31.901 32.600 -0.473 0.000 1.356 300 M HN -0.475 7.475 8.290 -0.293 0.165 0.415 301 Y N -1.457 118.684 120.300 -0.266 0.000 2.293 301 Y HA -0.328 nan 4.550 nan 0.000 0.291 301 Y C 1.752 177.510 175.900 -0.236 0.000 1.137 301 Y CA 2.089 59.959 58.100 -0.382 0.000 1.202 301 Y CB -0.880 37.144 38.460 -0.726 0.000 0.990 301 Y HN -0.179 7.885 8.280 -0.225 0.081 0.537 302 A N -1.513 121.353 122.820 0.077 0.000 1.873 302 A HA -0.339 nan 4.320 nan 0.000 0.215 302 A C 1.861 179.541 177.584 0.161 0.000 1.186 302 A CA 3.610 55.812 52.037 0.275 0.000 0.616 302 A CB -0.945 18.244 19.000 0.314 0.000 0.823 302 A HN -0.096 8.058 8.150 0.008 0.000 0.442 303 T N 1.729 116.303 114.554 0.034 0.000 2.849 303 T HA -0.306 nan 4.350 nan 0.000 0.270 303 T C 2.180 176.836 174.700 -0.073 0.000 1.066 303 T CA 4.574 66.640 62.100 -0.056 0.000 1.130 303 T CB -0.823 67.964 68.868 -0.135 0.000 0.864 303 T HN -0.581 7.667 8.240 0.012 0.000 0.481 304 I N 1.421 121.947 120.570 -0.072 0.000 2.072 304 I HA -0.421 nan 4.170 nan 0.000 0.235 304 I C 1.521 177.581 176.117 -0.095 0.000 1.058 304 I CA 2.498 63.705 61.300 -0.154 0.000 1.320 304 I CB -1.248 36.604 38.000 -0.247 0.000 1.047 304 I HN -0.561 7.477 8.210 -0.049 0.142 0.397 305 W N -1.506 119.826 121.300 0.053 0.000 2.321 305 W HA -0.406 nan 4.660 nan 0.000 0.306 305 W C 2.350 178.904 176.519 0.059 0.000 1.217 305 W CA 3.498 60.887 57.345 0.074 0.000 1.257 305 W CB -0.470 29.051 29.460 0.101 0.000 1.145 305 W HN -0.407 7.793 8.180 0.034 0.000 0.509 306 L N -1.261 120.111 121.223 0.248 0.000 2.021 306 L HA -0.519 nan 4.340 nan 0.000 0.215 306 L C 1.343 178.319 176.870 0.177 0.000 1.074 306 L CA 4.084 59.017 54.840 0.155 0.000 0.760 306 L CB -0.288 41.824 42.059 0.088 0.000 0.889 306 L HN 0.695 9.072 8.230 0.245 0.000 0.433 307 R N -3.026 117.535 120.500 0.101 0.000 2.075 307 R HA -0.400 nan 4.340 nan 0.000 0.232 307 R C 2.220 178.591 176.300 0.119 0.000 1.126 307 R CA 3.436 59.579 56.100 0.072 0.000 0.963 307 R CB -0.623 29.649 30.300 -0.045 0.000 0.858 307 R HN -0.659 7.573 8.270 0.052 0.069 0.435 308 E N -0.376 119.904 120.200 0.133 0.000 2.085 308 E HA -0.337 nan 4.350 nan 0.000 0.194 308 E C 2.079 178.811 176.600 0.221 0.000 0.994 308 E CA 2.824 59.320 56.400 0.159 0.000 0.801 308 E CB -0.458 29.356 29.700 0.191 0.000 0.743 308 E HN -0.151 8.188 8.360 0.115 0.089 0.453 309 H N -0.124 119.066 119.070 0.201 0.000 2.257 309 H HA -0.464 nan 4.556 nan 0.000 0.292 309 H C 2.379 177.810 175.328 0.171 0.000 1.075 309 H CA 4.147 60.311 56.048 0.194 0.000 1.212 309 H CB 0.109 29.983 29.762 0.186 0.000 1.354 309 H HN 0.124 8.636 8.280 0.388 0.000 0.497 310 Q N -1.793 118.191 119.800 0.306 0.000 2.082 310 Q HA -0.477 nan 4.340 nan 0.000 0.211 310 Q C 2.382 178.462 176.000 0.132 0.000 1.002 310 Q CA 3.451 59.393 55.803 0.231 0.000 0.868 310 Q CB -0.636 28.276 28.738 0.290 0.000 0.931 310 Q HN -0.472 8.040 8.270 0.404 0.000 0.414 311 R N -0.876 119.693 120.500 0.115 0.000 2.119 311 R HA -0.393 nan 4.340 nan 0.000 0.246 311 R C 2.438 178.778 176.300 0.068 0.000 1.146 311 R CA 3.360 59.507 56.100 0.079 0.000 0.962 311 R CB -0.078 30.258 30.300 0.060 0.000 0.863 311 R HN -0.295 8.054 8.270 0.133 0.000 0.442 312 V N -0.478 119.469 119.914 0.055 0.000 2.244 312 V HA -0.383 nan 4.120 nan 0.000 0.244 312 V C 1.836 177.956 176.094 0.044 0.000 1.042 312 V CA 4.213 66.540 62.300 0.045 0.000 1.006 312 V CB -0.652 31.185 31.823 0.022 0.000 0.641 312 V HN -0.124 8.002 8.190 0.059 0.099 0.446 313 C N 0.149 119.444 119.300 -0.007 0.000 2.391 313 C HA -0.534 nan 4.460 nan 0.000 0.276 313 C C 2.291 177.348 174.990 0.112 0.000 1.191 313 C CA 4.475 63.526 59.018 0.054 0.000 1.808 313 C CB -2.278 25.510 27.740 0.078 0.000 2.095 313 C HN 0.436 8.508 8.230 -0.088 0.106 0.478 314 D N -0.559 119.900 120.400 0.098 0.000 2.137 314 D HA -0.142 nan 4.640 nan 0.000 0.202 314 D C 2.179 178.524 176.300 0.076 0.000 0.970 314 D CA 3.457 57.512 54.000 0.092 0.000 0.837 314 D CB -0.618 40.231 40.800 0.081 0.000 0.981 314 D HN 0.018 8.416 8.370 0.088 0.025 0.475 315 I N -0.031 120.583 120.570 0.072 0.000 2.142 315 I HA -0.446 nan 4.170 nan 0.000 0.240 315 I C 2.648 178.808 176.117 0.071 0.000 1.078 315 I CA 3.250 64.586 61.300 0.061 0.000 1.343 315 I CB -0.039 38.002 38.000 0.068 0.000 1.046 315 I HN -0.371 7.801 8.210 0.074 0.082 0.405 316 L N -1.043 120.252 121.223 0.120 0.000 2.042 316 L HA -0.319 nan 4.340 nan 0.000 0.210 316 L C 2.103 179.057 176.870 0.141 0.000 1.076 316 L CA 2.941 57.889 54.840 0.179 0.000 0.749 316 L CB -1.054 41.179 42.059 0.289 0.000 0.893 316 L HN 0.260 8.562 8.230 0.120 0.000 0.432 317 K N -2.503 117.980 120.400 0.140 0.000 2.360 317 K HA -0.318 nan 4.320 nan 0.000 0.201 317 K C 0.870 177.493 176.600 0.038 0.000 1.046 317 K CA 2.476 58.836 56.287 0.121 0.000 0.945 317 K CB -0.122 32.457 32.500 0.132 0.000 0.750 317 K HN -0.161 7.970 8.250 0.140 0.203 0.464 318 Q N -3.794 116.004 119.800 -0.002 0.000 2.155 318 Q HA 0.155 nan 4.340 nan 0.000 0.220 318 Q C 0.107 176.028 176.000 -0.132 0.000 0.819 318 Q CA -0.057 55.717 55.803 -0.048 0.000 1.032 318 Q CB 0.232 28.959 28.738 -0.020 0.000 1.151 318 Q HN -0.645 7.476 8.270 0.017 0.160 0.487 319 E N -1.710 118.360 120.200 -0.217 0.000 2.434 319 E HA 0.067 nan 4.350 nan 0.000 0.207 319 E C -0.458 175.532 176.600 -1.016 0.000 0.929 319 E CA 0.507 56.626 56.400 -0.467 0.000 1.001 319 E CB 2.511 32.006 29.700 -0.342 0.000 1.016 319 E HN -0.252 7.836 8.360 -0.138 0.190 0.502 320 H N -0.697 118.121 119.070 -0.420 0.000 2.490 320 H HA 0.381 nan 4.556 nan 0.000 0.230 320 H C -1.660 173.517 175.328 -0.250 0.000 1.417 320 H CA -2.794 52.896 56.048 -0.596 0.000 1.449 320 H CB 0.061 28.844 29.762 -1.633 0.000 1.649 320 H HN -0.288 7.798 8.280 -0.268 0.034 0.519 321 P HA -0.156 nan 4.420 nan 0.000 0.228 321 P C -0.699 176.637 177.300 0.060 0.000 1.151 321 P CA 1.634 64.733 63.100 -0.002 0.000 0.770 321 P CB -0.141 31.541 31.700 -0.029 0.000 0.786 322 E N -5.416 114.830 120.200 0.077 0.000 2.499 322 E HA 0.044 nan 4.350 nan 0.000 0.199 322 E C -0.780 176.016 176.600 0.327 0.000 1.016 322 E CA -0.978 55.515 56.400 0.155 0.000 0.933 322 E CB -1.038 28.735 29.700 0.122 0.000 1.050 322 E HN -0.098 8.170 8.360 0.013 0.099 0.462 323 W N 0.234 121.600 121.300 0.110 0.000 2.283 323 W HA 0.077 nan 4.660 nan 0.000 0.341 323 W C 0.621 177.185 176.519 0.075 0.000 1.206 323 W CA -0.581 56.817 57.345 0.088 0.000 1.294 323 W CB 0.792 30.308 29.460 0.093 0.000 1.154 323 W HN -0.117 8.121 8.180 0.340 0.146 0.613 324 G N -0.044 108.892 108.800 0.226 0.000 2.509 324 G HA2 0.238 nan 3.960 nan 0.000 0.328 324 G HA3 0.238 nan 3.960 nan 0.000 0.328 324 G C -0.951 174.032 174.900 0.139 0.000 1.194 324 G CA -2.200 42.985 45.100 0.141 0.000 0.967 324 G HN 0.076 8.435 8.290 0.116 0.000 0.488 325 D N 0.027 120.510 120.400 0.138 0.000 2.126 325 D HA -0.446 nan 4.640 nan 0.000 0.190 325 D C 1.629 178.037 176.300 0.179 0.000 1.001 325 D CA 3.711 57.817 54.000 0.176 0.000 0.841 325 D CB -0.140 40.771 40.800 0.185 0.000 0.949 325 D HN 0.213 8.654 8.370 0.119 0.000 0.446 326 E N -2.459 117.809 120.200 0.113 0.000 2.209 326 E HA -0.312 nan 4.350 nan 0.000 0.196 326 E C 2.470 179.103 176.600 0.054 0.000 0.993 326 E CA 3.200 59.656 56.400 0.093 0.000 0.819 326 E CB -0.476 29.239 29.700 0.024 0.000 0.745 326 E HN 0.395 8.804 8.360 0.081 0.000 0.477 327 Q N 0.332 120.090 119.800 -0.069 0.000 2.062 327 Q HA -0.184 nan 4.340 nan 0.000 0.196 327 Q C 2.320 178.189 176.000 -0.219 0.000 0.967 327 Q CA 3.033 58.649 55.803 -0.312 0.000 0.832 327 Q CB -0.121 28.177 28.738 -0.733 0.000 0.899 327 Q HN -0.478 7.639 8.270 -0.043 0.127 0.442 328 L N -0.260 120.977 121.223 0.023 0.000 2.013 328 L HA -0.472 nan 4.340 nan 0.000 0.212 328 L C 2.152 179.132 176.870 0.184 0.000 1.073 328 L CA 3.270 58.240 54.840 0.217 0.000 0.753 328 L CB -0.324 41.918 42.059 0.304 0.000 0.890 328 L HN -0.325 7.946 8.230 0.069 0.000 0.432 329 F N -0.840 119.179 119.950 0.114 0.000 2.075 329 F HA -0.523 nan 4.527 nan 0.000 0.297 329 F C 1.433 177.288 175.800 0.093 0.000 1.113 329 F CA 4.063 62.172 58.000 0.183 0.000 1.218 329 F CB 0.145 39.230 39.000 0.143 0.000 0.984 329 F HN 0.269 8.788 8.300 0.365 0.000 0.472 330 Q N -3.316 116.625 119.800 0.235 0.000 2.224 330 Q HA -0.268 nan 4.340 nan 0.000 0.203 330 Q C 2.978 178.964 176.000 -0.024 0.000 0.970 330 Q CA 2.900 58.752 55.803 0.082 0.000 0.865 330 Q CB -0.356 28.441 28.738 0.098 0.000 0.922 330 Q HN -0.289 8.163 8.270 0.302 0.000 0.445 331 T N 3.409 117.945 114.554 -0.030 0.000 2.851 331 T HA -0.119 nan 4.350 nan 0.000 0.262 331 T C 2.030 176.796 174.700 0.111 0.000 1.043 331 T CA 4.206 66.334 62.100 0.046 0.000 1.140 331 T CB -0.342 68.563 68.868 0.061 0.000 0.872 331 T HN 0.278 8.475 8.240 -0.042 0.018 0.446 332 S N 3.394 119.105 115.700 0.018 0.000 2.359 332 S HA -0.397 nan 4.470 nan 0.000 0.223 332 S C 1.203 175.826 174.600 0.040 0.000 1.039 332 S CA 4.367 62.537 58.200 -0.049 0.000 1.042 332 S CB -0.305 62.624 63.200 -0.451 0.000 0.915 332 S HN 0.132 8.440 8.310 -0.005 0.000 0.439 333 K N 1.038 121.402 120.400 -0.060 0.000 2.160 333 K HA -0.324 nan 4.320 nan 0.000 0.206 333 K C 2.133 178.785 176.600 0.088 0.000 1.047 333 K CA 3.079 59.334 56.287 -0.054 0.000 0.930 333 K CB -0.224 31.930 32.500 -0.577 0.000 0.720 333 K HN -0.603 7.507 8.250 -0.233 0.000 0.450 334 L N -1.737 119.574 121.223 0.147 0.000 2.027 334 L HA -0.326 nan 4.340 nan 0.000 0.206 334 L C 2.176 179.238 176.870 0.320 0.000 1.074 334 L CA 2.682 57.716 54.840 0.322 0.000 0.745 334 L CB -0.088 42.268 42.059 0.495 0.000 0.898 334 L HN -0.620 7.556 8.230 0.105 0.118 0.433 335 I N -0.539 120.198 120.570 0.278 0.000 2.113 335 I HA -0.593 nan 4.170 nan 0.000 0.238 335 I C 2.074 178.278 176.117 0.144 0.000 1.070 335 I CA 4.141 65.527 61.300 0.144 0.000 1.332 335 I CB -0.253 37.854 38.000 0.178 0.000 1.044 335 I HN -0.476 7.830 8.210 0.287 0.077 0.402 336 L N -0.984 120.357 121.223 0.196 0.000 1.997 336 L HA -0.434 nan 4.340 nan 0.000 0.216 336 L C 2.075 179.041 176.870 0.159 0.000 1.074 336 L CA 4.079 59.063 54.840 0.241 0.000 0.763 336 L CB -0.718 41.512 42.059 0.285 0.000 0.890 336 L HN 0.031 8.379 8.230 0.196 0.000 0.434 337 I N -2.210 118.432 120.570 0.120 0.000 2.194 337 I HA -0.631 nan 4.170 nan 0.000 0.246 337 I C 1.950 178.127 176.117 0.099 0.000 1.093 337 I CA 4.064 65.410 61.300 0.077 0.000 1.355 337 I CB -0.750 37.309 38.000 0.097 0.000 1.046 337 I HN -0.334 7.965 8.210 0.149 0.000 0.413 338 G N -1.567 107.311 108.800 0.131 0.000 2.440 338 G HA2 -0.381 nan 3.960 nan 0.000 0.218 338 G HA3 -0.381 nan 3.960 nan 0.000 0.218 338 G C 1.172 176.172 174.900 0.168 0.000 1.154 338 G CA 1.992 47.193 45.100 0.168 0.000 0.767 338 G HN 0.022 8.295 8.290 0.128 0.094 0.552 339 E N 1.533 121.833 120.200 0.167 0.000 2.051 339 E HA -0.388 nan 4.350 nan 0.000 0.192 339 E C 2.552 179.264 176.600 0.187 0.000 0.991 339 E CA 3.300 59.824 56.400 0.205 0.000 0.799 339 E CB -0.112 29.762 29.700 0.289 0.000 0.748 339 E HN 0.070 8.426 8.360 0.164 0.103 0.449 340 T N 3.008 117.680 114.554 0.198 0.000 2.699 340 T HA -0.272 nan 4.350 nan 0.000 0.268 340 T C 2.182 176.877 174.700 -0.008 0.000 1.036 340 T CA 5.105 67.308 62.100 0.171 0.000 1.147 340 T CB -0.701 68.207 68.868 0.066 0.000 0.862 340 T HN 0.475 8.715 8.240 0.181 0.109 0.446 341 I N -1.152 119.309 120.570 -0.182 0.000 2.493 341 I HA -0.443 nan 4.170 nan 0.000 0.254 341 I C 1.150 176.813 176.117 -0.756 0.000 1.160 341 I CA 3.310 64.294 61.300 -0.526 0.000 1.445 341 I CB -0.433 37.050 38.000 -0.862 0.000 1.086 341 I HN 0.076 8.213 8.210 -0.122 0.000 0.433 342 K N 0.165 120.275 120.400 -0.483 0.000 1.980 342 K HA -0.203 nan 4.320 nan 0.000 0.208 342 K C 1.864 178.441 176.600 -0.038 0.000 1.043 342 K CA 2.556 58.757 56.287 -0.143 0.000 0.938 342 K CB -0.202 32.400 32.500 0.170 0.000 0.724 342 K HN -0.677 7.274 8.250 -0.275 0.134 0.438 343 I N -0.280 120.306 120.570 0.026 0.000 2.087 343 I HA -0.563 nan 4.170 nan 0.000 0.240 343 I C 1.932 178.038 176.117 -0.019 0.000 1.054 343 I CA 4.532 65.864 61.300 0.053 0.000 1.311 343 I CB -0.116 37.979 38.000 0.159 0.000 1.024 343 I HN 0.068 8.317 8.210 0.065 0.000 0.402 344 V N -1.953 117.873 119.914 -0.147 0.000 2.982 344 V HA -0.339 nan 4.120 nan 0.000 0.265 344 V C 2.034 178.072 176.094 -0.093 0.000 1.122 344 V CA 3.508 65.613 62.300 -0.324 0.000 1.143 344 V CB -1.388 30.018 31.823 -0.696 0.000 0.726 344 V HN -0.128 7.992 8.190 -0.116 0.000 0.507 345 I N -1.057 119.494 120.570 -0.031 0.000 3.345 345 I HA -0.041 nan 4.170 nan 0.000 0.258 345 I C 1.688 177.863 176.117 0.098 0.000 1.134 345 I CA 2.328 63.663 61.300 0.058 0.000 1.457 345 I CB 0.421 38.451 38.000 0.049 0.000 1.425 345 I HN -0.034 7.942 8.210 -0.069 0.193 0.461 346 E N -0.814 119.436 120.200 0.084 0.000 2.204 346 E HA -0.317 nan 4.350 nan 0.000 0.195 346 E C 1.284 177.939 176.600 0.090 0.000 0.990 346 E CA 2.849 59.297 56.400 0.081 0.000 0.821 346 E CB -0.092 29.658 29.700 0.084 0.000 0.750 346 E HN 0.425 8.823 8.360 0.063 0.000 0.477 347 D N -2.904 117.576 120.400 0.134 0.000 3.105 347 D HA 0.204 nan 4.640 nan 0.000 0.291 347 D C 1.052 177.591 176.300 0.398 0.000 1.218 347 D CA 1.534 55.664 54.000 0.216 0.000 1.029 347 D CB 1.677 42.582 40.800 0.174 0.000 1.207 347 D HN -0.074 8.239 8.370 0.121 0.130 0.437 348 Y N 1.695 122.088 120.300 0.154 0.000 2.070 348 Y HA -0.421 nan 4.550 nan 0.000 0.280 348 Y C 1.784 177.766 175.900 0.136 0.000 1.148 348 Y CA 4.540 62.604 58.100 -0.059 0.000 1.125 348 Y CB 0.247 38.441 38.460 -0.444 0.000 0.975 348 Y HN -0.319 8.148 8.280 0.310 0.000 0.492 349 V N -1.614 118.561 119.914 0.434 0.000 2.358 349 V HA -0.495 nan 4.120 nan 0.000 0.246 349 V C 2.086 178.268 176.094 0.145 0.000 1.047 349 V CA 3.705 66.198 62.300 0.323 0.000 1.035 349 V CB -0.999 30.985 31.823 0.269 0.000 0.658 349 V HN -0.577 7.834 8.190 0.368 0.000 0.452 350 Q N -1.124 118.757 119.800 0.134 0.000 2.096 350 Q HA -0.358 nan 4.340 nan 0.000 0.204 350 Q C 2.229 178.238 176.000 0.015 0.000 0.982 350 Q CA 2.905 58.734 55.803 0.044 0.000 0.850 350 Q CB -0.566 28.211 28.738 0.064 0.000 0.901 350 Q HN -0.317 8.057 8.270 0.173 0.000 0.422 351 H N 0.600 119.701 119.070 0.051 0.000 2.307 351 H HA -0.142 nan 4.556 nan 0.000 0.303 351 H C 1.475 176.745 175.328 -0.098 0.000 1.073 351 H CA 3.077 59.133 56.048 0.014 0.000 1.338 351 H CB 0.469 30.331 29.762 0.167 0.000 1.389 351 H HN 0.009 8.284 8.280 0.311 0.192 0.503 352 L N -1.068 120.210 121.223 0.092 0.000 2.450 352 L HA -0.206 nan 4.340 nan 0.000 0.224 352 L C 0.631 177.380 176.870 -0.202 0.000 1.149 352 L CA 1.993 56.808 54.840 -0.042 0.000 0.816 352 L CB 0.305 42.496 42.059 0.220 0.000 0.932 352 L HN -0.082 8.330 8.230 0.302 0.000 0.449 353 S N -2.855 112.667 115.700 -0.295 0.000 2.427 353 S HA -0.051 nan 4.470 nan 0.000 0.224 353 S C 1.013 175.266 174.600 -0.579 0.000 1.047 353 S CA 1.222 59.065 58.200 -0.594 0.000 0.953 353 S CB 1.875 64.420 63.200 -1.093 0.000 0.824 353 S HN -0.303 7.713 8.310 -0.229 0.157 0.502 354 G N 3.327 111.852 108.800 -0.460 0.000 2.392 354 G HA2 -0.384 nan 3.960 nan 0.000 0.290 354 G HA3 -0.384 nan 3.960 nan 0.000 0.290 354 G C -1.102 173.677 174.900 -0.201 0.000 1.032 354 G CA 1.008 45.907 45.100 -0.335 0.000 1.269 354 G HN -0.500 7.536 8.290 -0.423 0.000 0.511 355 Y N 0.248 120.372 120.300 -0.294 0.000 2.503 355 Y HA 0.097 nan 4.550 nan 0.000 0.236 355 Y C 0.475 176.133 175.900 -0.403 0.000 1.047 355 Y CA -0.626 57.268 58.100 -0.342 0.000 1.267 355 Y CB 1.393 39.694 38.460 -0.265 0.000 1.093 355 Y HN -0.384 7.802 8.280 -0.156 0.000 0.490 356 H N -5.206 113.809 119.070 -0.091 0.000 1.795 356 H HA -0.158 nan 4.556 nan 0.000 0.115 356 H C -1.087 174.206 175.328 -0.057 0.000 1.128 356 H CA 0.453 56.442 56.048 -0.098 0.000 0.411 356 H CB 1.429 31.081 29.762 -0.183 0.000 0.313 356 H HN -0.108 8.191 8.280 0.032 0.000 0.206 357 F N 2.029 121.826 119.950 -0.255 0.000 2.572 357 F HA -0.121 nan 4.527 nan 0.000 0.370 357 F C -1.167 174.664 175.800 0.053 0.000 1.103 357 F CA 0.244 58.192 58.000 -0.086 0.000 1.286 357 F CB 1.192 39.938 39.000 -0.423 0.000 1.105 357 F HN -0.295 7.738 8.300 -0.445 0.000 0.583 358 K N 8.122 127.918 120.400 -1.006 0.000 2.273 358 K HA 0.089 nan 4.320 nan 0.000 0.287 358 K C -0.764 175.197 176.600 -1.065 0.000 1.089 358 K CA -1.398 54.441 56.287 -0.748 0.000 0.909 358 K CB 0.345 32.646 32.500 -0.332 0.000 1.123 358 K HN 0.232 8.345 8.250 -0.788 -0.336 0.473 359 L N 4.610 125.509 121.223 -0.539 0.000 2.492 359 L HA -0.027 nan 4.340 nan 0.000 0.280 359 L C -0.605 176.222 176.870 -0.072 0.000 1.240 359 L CA 0.669 55.405 54.840 -0.173 0.000 0.831 359 L CB 0.327 42.412 42.059 0.044 0.000 1.100 359 L HN 0.311 8.338 8.230 -0.339 0.000 0.505 360 K N 0.833 121.282 120.400 0.082 0.000 2.535 360 K HA 0.176 nan 4.320 nan 0.000 0.250 360 K C -1.641 175.068 176.600 0.181 0.000 0.948 360 K CA -1.307 55.048 56.287 0.115 0.000 0.796 360 K CB 3.300 35.865 32.500 0.109 0.000 1.216 360 K HN 0.507 8.847 8.250 0.150 0.000 0.432 361 F N 8.343 128.303 119.950 0.017 0.000 2.464 361 F HA -0.031 nan 4.527 nan 0.000 0.353 361 F C -1.847 173.930 175.800 -0.038 0.000 1.191 361 F CA -1.125 56.864 58.000 -0.020 0.000 1.147 361 F CB -0.024 38.969 39.000 -0.011 0.000 1.294 361 F HN -0.089 8.605 8.300 0.276 -0.228 0.583 362 D N 8.219 128.442 120.400 -0.295 0.000 2.364 362 D HA 0.342 nan 4.640 nan 0.000 0.251 362 D C -1.617 174.379 176.300 -0.506 0.000 1.282 362 D CA -3.110 50.655 54.000 -0.392 0.000 0.927 362 D CB 1.046 41.769 40.800 -0.127 0.000 1.267 362 D HN -0.596 7.717 8.370 -0.095 0.000 0.531 363 P HA -0.300 nan 4.420 nan 0.000 0.218 363 P C 0.973 177.651 177.300 -1.038 0.000 1.150 363 P CA 2.020 64.627 63.100 -0.823 0.000 0.841 363 P CB 0.266 31.225 31.700 -1.235 0.000 0.784 364 E N -2.998 116.537 120.200 -1.109 0.000 2.401 364 E HA -0.287 nan 4.350 nan 0.000 0.199 364 E C 1.698 177.937 176.600 -0.602 0.000 1.023 364 E CA 2.098 57.673 56.400 -1.375 0.000 0.859 364 E CB -0.605 28.841 29.700 -0.423 0.000 0.780 364 E HN -0.510 7.562 8.360 -0.671 -0.115 0.523 365 L N -2.533 118.464 121.223 -0.376 0.000 2.156 365 L HA -0.201 nan 4.340 nan 0.000 0.208 365 L C 1.871 178.684 176.870 -0.094 0.000 1.095 365 L CA 2.328 57.079 54.840 -0.148 0.000 0.770 365 L CB 0.093 42.095 42.059 -0.096 0.000 0.914 365 L HN -0.023 7.776 8.230 -0.424 0.177 0.439 366 L N -3.491 117.644 121.223 -0.147 0.000 2.567 366 L HA -0.069 nan 4.340 nan 0.000 0.225 366 L C 2.104 179.139 176.870 0.277 0.000 1.119 366 L CA 0.987 55.804 54.840 -0.038 0.000 0.871 366 L CB -0.049 41.797 42.059 -0.354 0.000 1.036 366 L HN -0.423 7.618 8.230 -0.283 0.020 0.459 367 F N 0.013 120.041 119.950 0.130 0.000 2.120 367 F HA -0.374 nan 4.527 nan 0.000 0.300 367 F C 1.684 177.576 175.800 0.153 0.000 1.095 367 F CA 2.197 60.305 58.000 0.180 0.000 1.249 367 F CB -1.059 38.037 39.000 0.159 0.000 0.995 367 F HN -0.529 7.649 8.300 0.105 0.184 0.480 368 N N -2.528 116.355 118.700 0.305 0.000 2.398 368 N HA -0.099 nan 4.740 nan 0.000 0.188 368 N C -0.111 175.500 175.510 0.169 0.000 1.122 368 N CA 0.248 53.421 53.050 0.205 0.000 0.866 368 N CB 0.528 39.112 38.487 0.161 0.000 0.970 368 N HN 0.163 8.703 8.380 0.268 0.000 0.462 369 Q N -0.425 119.486 119.800 0.185 0.000 2.297 369 Q HA 0.169 nan 4.340 nan 0.000 0.268 369 Q C -1.044 175.073 176.000 0.196 0.000 1.045 369 Q CA -0.766 55.130 55.803 0.155 0.000 0.861 369 Q CB 2.765 31.573 28.738 0.117 0.000 1.344 369 Q HN -0.462 7.756 8.270 0.222 0.185 0.452 370 Q N 1.193 121.089 119.800 0.160 0.000 2.313 370 Q HA -0.055 nan 4.340 nan 0.000 0.266 370 Q C -0.613 175.521 176.000 0.224 0.000 0.989 370 Q CA 1.072 56.971 55.803 0.159 0.000 0.890 370 Q CB 0.598 29.397 28.738 0.102 0.000 1.200 370 Q HN 0.253 8.600 8.270 0.129 0.000 0.396 371 F N 3.215 123.161 119.950 -0.007 0.000 2.688 371 F HA 0.084 nan 4.527 nan 0.000 0.308 371 F C -2.277 173.418 175.800 -0.175 0.000 1.117 371 F CA -0.249 57.665 58.000 -0.144 0.000 0.976 371 F CB 2.623 41.453 39.000 -0.284 0.000 1.291 371 F HN -0.014 8.405 8.300 0.199 0.000 0.439 372 Q N 4.573 123.674 119.800 -1.166 0.000 2.372 372 Q HA 0.190 nan 4.340 nan 0.000 0.259 372 Q C -0.745 174.677 176.000 -0.963 0.000 0.993 372 Q CA -1.505 53.873 55.803 -0.709 0.000 0.854 372 Q CB 0.826 29.296 28.738 -0.446 0.000 1.231 372 Q HN 0.296 7.585 8.270 -1.635 0.000 0.462 373 Y N 4.983 125.096 120.300 -0.311 0.000 2.724 373 Y HA -0.072 nan 4.550 nan 0.000 0.354 373 Y C -0.934 174.893 175.900 -0.121 0.000 1.270 373 Y CA 0.313 58.361 58.100 -0.086 0.000 1.902 373 Y CB -1.664 36.867 38.460 0.118 0.000 1.981 373 Y HN 0.317 8.682 8.280 0.141 0.000 0.428 374 Q N 0.671 120.382 119.800 -0.147 0.000 2.391 374 Q HA 0.229 nan 4.340 nan 0.000 0.279 374 Q C -2.505 173.385 176.000 -0.183 0.000 1.028 374 Q CA -1.102 54.624 55.803 -0.127 0.000 0.836 374 Q CB 3.864 32.533 28.738 -0.115 0.000 1.414 374 Q HN -0.064 7.947 8.270 -0.335 0.058 0.397 375 N N 3.076 121.678 118.700 -0.165 0.000 2.396 375 N HA 0.185 nan 4.740 nan 0.000 0.275 375 N C -2.315 173.087 175.510 -0.179 0.000 1.218 375 N CA 0.325 53.263 53.050 -0.186 0.000 0.812 375 N CB 2.588 40.959 38.487 -0.193 0.000 1.592 375 N HN 0.237 8.529 8.380 -0.147 0.000 0.480 376 R N 2.320 122.718 120.500 -0.170 0.000 2.531 376 R HA 0.257 nan 4.340 nan 0.000 0.293 376 R C -1.206 175.109 176.300 0.026 0.000 1.124 376 R CA -0.902 55.151 56.100 -0.077 0.000 0.945 376 R CB 1.734 31.883 30.300 -0.253 0.000 1.195 376 R HN 0.080 8.228 8.270 -0.202 0.000 0.433 377 I N 1.744 122.425 120.570 0.186 0.000 2.556 377 I HA 0.138 nan 4.170 nan 0.000 0.284 377 I C -1.140 175.079 176.117 0.171 0.000 1.114 377 I CA 0.062 61.368 61.300 0.011 0.000 1.418 377 I CB 1.470 39.447 38.000 -0.038 0.000 1.394 377 I HN -0.064 8.357 8.210 0.352 0.000 0.552 378 A N 6.437 129.266 122.820 0.016 0.000 2.272 378 A HA 0.357 nan 4.320 nan 0.000 0.275 378 A C 0.684 178.324 177.584 0.094 0.000 1.096 378 A CA -0.861 51.203 52.037 0.045 0.000 0.822 378 A CB 1.331 20.224 19.000 -0.177 0.000 1.088 378 A HN -0.040 8.015 8.150 -0.160 0.000 0.495 379 S N 0.701 116.405 115.700 0.007 0.000 2.414 379 S HA -0.259 nan 4.470 nan 0.000 0.227 379 S C 2.209 176.831 174.600 0.036 0.000 1.022 379 S CA 3.208 61.300 58.200 -0.180 0.000 0.958 379 S CB -0.001 63.169 63.200 -0.051 0.000 0.797 379 S HN 0.448 8.788 8.310 0.050 0.000 0.493 380 E N 1.718 122.022 120.200 0.173 0.000 2.038 380 E HA -0.340 nan 4.350 nan 0.000 0.195 380 E C 1.897 178.690 176.600 0.322 0.000 1.000 380 E CA 2.534 59.097 56.400 0.272 0.000 0.803 380 E CB -1.167 28.752 29.700 0.366 0.000 0.750 380 E HN 0.208 8.645 8.360 0.127 0.000 0.448 381 F N -0.085 120.104 119.950 0.398 0.000 2.115 381 F HA -0.335 nan 4.527 nan 0.000 0.300 381 F C 1.288 177.233 175.800 0.241 0.000 1.092 381 F CA 3.152 61.456 58.000 0.505 0.000 1.245 381 F CB -0.060 39.301 39.000 0.602 0.000 0.995 381 F HN -0.163 8.581 8.300 0.740 0.000 0.481 382 N N -1.962 116.797 118.700 0.099 0.000 2.028 382 N HA -0.389 nan 4.740 nan 0.000 0.194 382 N C 1.993 177.116 175.510 -0.645 0.000 1.050 382 N CA 3.202 55.879 53.050 -0.621 0.000 0.848 382 N CB 0.479 38.748 38.487 -0.363 0.000 1.038 382 N HN -0.652 7.793 8.380 0.260 0.091 0.423 383 T N 2.708 116.965 114.554 -0.494 0.000 2.544 383 T HA -0.316 nan 4.350 nan 0.000 0.264 383 T C 2.152 176.501 174.700 -0.586 0.000 1.096 383 T CA 4.637 66.279 62.100 -0.763 0.000 1.181 383 T CB -0.191 68.461 68.868 -0.360 0.000 0.864 383 T HN 0.144 8.221 8.240 -0.271 0.000 0.415 384 L N -1.644 119.447 121.223 -0.221 0.000 2.450 384 L HA -0.264 nan 4.340 nan 0.000 0.225 384 L C 0.652 177.431 176.870 -0.152 0.000 1.145 384 L CA 2.800 57.572 54.840 -0.114 0.000 0.801 384 L CB -1.041 40.959 42.059 -0.099 0.000 0.924 384 L HN 0.097 8.248 8.230 -0.132 0.000 0.447 385 Y N -1.844 118.156 120.300 -0.500 0.000 2.466 385 Y HA -0.054 nan 4.550 nan 0.000 0.272 385 Y C 0.073 175.580 175.900 -0.654 0.000 1.169 385 Y CA 0.507 58.080 58.100 -0.878 0.000 1.285 385 Y CB 0.334 38.153 38.460 -1.069 0.000 1.078 385 Y HN -0.616 7.249 8.280 -0.377 0.189 0.523 386 H N 1.708 120.654 119.070 -0.207 0.000 3.356 386 H HA -0.096 nan 4.556 nan 0.000 0.260 386 H C -0.059 175.344 175.328 0.126 0.000 1.570 386 H CA -0.475 55.543 56.048 -0.050 0.000 1.547 386 H CB -2.404 27.498 29.762 0.233 0.000 1.774 386 H HN 0.072 8.163 8.280 -0.023 0.176 0.542 387 W N 4.025 125.259 121.300 -0.111 0.000 2.269 387 W HA 0.202 nan 4.660 nan 0.000 0.402 387 W C 0.425 176.863 176.519 -0.135 0.000 0.654 387 W CA -3.037 54.259 57.345 -0.081 0.000 2.299 387 W CB -2.809 26.645 29.460 -0.010 0.000 1.621 387 W HN 0.035 8.143 8.180 -0.084 0.022 0.677 388 H N 2.051 121.314 119.070 0.321 0.000 2.421 388 H HA -0.213 nan 4.556 nan 0.000 0.298 388 H C -0.572 174.850 175.328 0.157 0.000 1.087 388 H CA 6.292 62.477 56.048 0.228 0.000 1.330 388 H CB -1.884 27.999 29.762 0.201 0.000 1.388 388 H HN -0.546 7.649 8.280 -0.003 0.083 0.526 389 P HA -0.244 nan 4.420 nan 0.000 0.224 389 P C -0.162 177.109 177.300 -0.049 0.000 1.142 389 P CA 2.359 65.476 63.100 0.028 0.000 0.778 389 P CB -0.658 31.027 31.700 -0.025 0.000 0.764 390 L N -4.487 116.752 121.223 0.026 0.000 2.141 390 L HA -0.246 nan 4.340 nan 0.000 0.209 390 L C 0.517 177.377 176.870 -0.017 0.000 1.094 390 L CA 1.098 55.929 54.840 -0.016 0.000 0.763 390 L CB 0.239 42.355 42.059 0.094 0.000 0.908 390 L HN -0.529 7.591 8.230 0.112 0.177 0.437 391 L N -0.823 120.446 121.223 0.077 0.000 2.559 391 L HA -0.096 nan 4.340 nan 0.000 0.274 391 L C -1.546 175.417 176.870 0.155 0.000 1.205 391 L CA -0.576 54.361 54.840 0.161 0.000 0.907 391 L CB -1.189 41.111 42.059 0.402 0.000 1.153 391 L HN -0.228 7.925 8.230 0.130 0.155 0.490 392 P HA 0.011 nan 4.420 nan 0.000 0.277 392 P C -1.517 175.803 177.300 0.032 0.000 1.271 392 P CA -0.843 62.377 63.100 0.199 0.000 0.795 392 P CB 0.593 32.211 31.700 -0.137 0.000 1.101 393 D N -1.534 118.900 120.400 0.056 0.000 2.354 393 D HA 0.027 nan 4.640 nan 0.000 0.209 393 D C -0.947 175.275 176.300 -0.130 0.000 1.015 393 D CA 1.518 55.564 54.000 0.077 0.000 0.867 393 D CB 1.261 42.114 40.800 0.089 0.000 0.933 393 D HN 0.351 8.763 8.370 0.070 0.000 0.520 394 T N -5.568 108.739 114.554 -0.411 0.000 2.952 394 T HA 0.400 nan 4.350 nan 0.000 0.305 394 T C -1.006 173.271 174.700 -0.704 0.000 1.064 394 T CA -1.543 60.290 62.100 -0.446 0.000 1.008 394 T CB 2.529 71.266 68.868 -0.219 0.000 1.078 394 T HN -0.699 7.251 8.240 -0.417 0.039 0.459 395 F N 3.564 123.380 119.950 -0.223 0.000 2.351 395 F HA 0.083 nan 4.527 nan 0.000 0.362 395 F C -0.866 174.846 175.800 -0.146 0.000 1.131 395 F CA -1.686 56.063 58.000 -0.418 0.000 1.187 395 F CB -0.233 38.041 39.000 -1.211 0.000 1.434 395 F HN 0.832 8.845 8.300 -0.303 0.105 0.553 396 N N 4.968 123.648 118.700 -0.032 0.000 2.555 396 N HA 0.047 nan 4.740 nan 0.000 0.244 396 N C -0.991 174.531 175.510 0.020 0.000 1.114 396 N CA -0.684 52.362 53.050 -0.006 0.000 0.963 396 N CB 0.029 38.464 38.487 -0.086 0.000 1.276 396 N HN -0.135 8.293 8.380 -0.107 -0.112 0.510 397 I N 5.521 126.103 120.570 0.021 0.000 2.278 397 I HA -0.148 nan 4.170 nan 0.000 0.296 397 I C -1.046 174.933 176.117 -0.230 0.000 1.121 397 I CA -1.389 59.784 61.300 -0.210 0.000 1.267 397 I CB 0.032 37.765 38.000 -0.446 0.000 1.447 397 I HN -0.360 7.954 8.210 0.173 0.000 0.509 398 E N 7.005 127.104 120.200 -0.168 0.000 3.483 398 E HA -0.384 nan 4.350 nan 0.000 0.319 398 E C -0.173 176.344 176.600 -0.138 0.000 0.731 398 E CA 1.669 57.991 56.400 -0.130 0.000 1.104 398 E CB -0.324 29.313 29.700 -0.105 0.000 0.841 398 E HN -0.118 8.161 8.360 -0.136 0.000 0.518 399 D N 1.712 122.056 120.400 -0.095 0.000 3.082 399 D HA -0.408 nan 4.640 nan 0.000 0.216 399 D C -2.073 174.186 176.300 -0.067 0.000 1.114 399 D CA 1.354 55.312 54.000 -0.069 0.000 0.886 399 D CB -0.087 40.684 40.800 -0.047 0.000 1.096 399 D HN 0.632 8.950 8.370 -0.087 0.000 0.431 400 Q N -4.642 115.097 119.800 -0.101 0.000 2.837 400 Q HA 0.049 nan 4.340 nan 0.000 0.239 400 Q C -3.093 172.781 176.000 -0.211 0.000 1.001 400 Q CA 0.350 56.052 55.803 -0.168 0.000 0.960 400 Q CB 2.949 31.601 28.738 -0.145 0.000 1.923 400 Q HN -0.484 7.685 8.270 -0.105 0.038 0.471 401 E N 1.782 121.795 120.200 -0.312 0.000 2.234 401 E HA 0.369 nan 4.350 nan 0.000 0.266 401 E C -1.317 175.105 176.600 -0.297 0.000 0.877 401 E CA -1.373 54.904 56.400 -0.206 0.000 0.758 401 E CB 2.814 32.429 29.700 -0.141 0.000 1.170 401 E HN 0.150 8.303 8.360 -0.345 0.000 0.415 402 Y N 2.066 122.405 120.300 0.064 0.000 2.487 402 Y HA 0.219 nan 4.550 nan 0.000 0.337 402 Y C -0.084 175.916 175.900 0.167 0.000 1.076 402 Y CA -1.391 56.806 58.100 0.161 0.000 1.115 402 Y CB 2.812 41.454 38.460 0.303 0.000 1.235 402 Y HN 0.785 9.084 8.280 0.248 0.130 0.468 403 S N 0.591 116.518 115.700 0.379 0.000 2.652 403 S HA 0.248 nan 4.470 nan 0.000 0.270 403 S C 0.936 175.858 174.600 0.538 0.000 1.243 403 S CA -0.954 57.463 58.200 0.362 0.000 0.999 403 S CB 1.704 65.072 63.200 0.279 0.000 0.973 403 S HN 0.252 9.118 8.310 0.392 -0.320 0.544 404 F N 3.098 123.274 119.950 0.377 0.000 2.065 404 F HA -0.460 nan 4.527 nan 0.000 0.298 404 F C 1.564 177.523 175.800 0.265 0.000 1.112 404 F CA 5.307 63.576 58.000 0.449 0.000 1.212 404 F CB -0.760 38.437 39.000 0.329 0.000 0.975 404 F HN 0.848 9.643 8.300 0.824 0.000 0.476 405 K N -1.964 118.676 120.400 0.400 0.000 2.189 405 K HA -0.285 nan 4.320 nan 0.000 0.207 405 K C 1.522 178.255 176.600 0.221 0.000 1.046 405 K CA 2.899 59.338 56.287 0.254 0.000 0.928 405 K CB -1.011 31.615 32.500 0.210 0.000 0.720 405 K HN 0.374 8.882 8.250 0.431 0.000 0.458 406 Q N -3.551 116.418 119.800 0.283 0.000 2.259 406 Q HA -0.149 nan 4.340 nan 0.000 0.201 406 Q C 1.220 177.356 176.000 0.227 0.000 0.938 406 Q CA 1.776 57.746 55.803 0.279 0.000 0.872 406 Q CB 1.070 30.056 28.738 0.413 0.000 0.971 406 Q HN -0.629 7.686 8.270 0.347 0.163 0.494 407 F N -0.984 119.004 119.950 0.063 0.000 2.163 407 F HA -0.186 nan 4.527 nan 0.000 0.297 407 F C -0.662 175.005 175.800 -0.222 0.000 1.094 407 F CA 2.272 60.197 58.000 -0.125 0.000 1.290 407 F CB 1.569 40.430 39.000 -0.233 0.000 1.017 407 F HN -0.361 8.129 8.300 0.455 0.083 0.483 408 L N -1.311 119.789 121.223 -0.205 0.000 2.534 408 L HA -0.296 nan 4.340 nan 0.000 0.271 408 L C -0.880 175.640 176.870 -0.582 0.000 1.178 408 L CA 1.095 55.582 54.840 -0.588 0.000 0.907 408 L CB -0.771 40.785 42.059 -0.837 0.000 1.164 408 L HN -0.326 7.891 8.230 -0.020 0.000 0.482 409 Y N -2.391 117.870 120.300 -0.064 0.000 3.689 409 Y HA -0.455 nan 4.550 nan 0.000 0.221 409 Y C -1.203 174.663 175.900 -0.056 0.000 1.247 409 Y CA 0.141 58.232 58.100 -0.016 0.000 1.671 409 Y CB -3.181 35.312 38.460 0.054 0.000 1.521 409 Y HN -0.150 7.822 8.280 -0.353 0.096 0.632 410 N N 0.199 118.848 118.700 -0.086 0.000 2.426 410 N HA 0.095 nan 4.740 nan 0.000 0.275 410 N C -0.278 175.125 175.510 -0.178 0.000 1.019 410 N CA -0.842 52.135 53.050 -0.121 0.000 0.941 410 N CB 1.922 40.302 38.487 -0.178 0.000 1.123 410 N HN -0.864 7.378 8.380 -0.231 0.000 0.486 411 N N 4.866 123.459 118.700 -0.179 0.000 2.131 411 N HA -0.131 nan 4.740 nan 0.000 0.190 411 N C 1.643 177.026 175.510 -0.212 0.000 1.055 411 N CA 2.488 55.379 53.050 -0.265 0.000 0.853 411 N CB 0.384 38.693 38.487 -0.297 0.000 1.035 411 N HN 0.496 8.799 8.380 -0.128 0.000 0.440 412 S N 0.447 116.048 115.700 -0.165 0.000 2.442 412 S HA -0.219 nan 4.470 nan 0.000 0.236 412 S C 2.153 176.657 174.600 -0.160 0.000 1.007 412 S CA 2.425 60.539 58.200 -0.144 0.000 0.965 412 S CB -0.326 62.814 63.200 -0.100 0.000 0.773 412 S HN -0.185 8.089 8.310 -0.142 -0.048 0.504 413 I N 1.665 122.126 120.570 -0.181 0.000 2.069 413 I HA -0.527 nan 4.170 nan 0.000 0.237 413 I C 1.157 177.256 176.117 -0.030 0.000 1.053 413 I CA 3.716 64.891 61.300 -0.209 0.000 1.311 413 I CB -0.312 37.533 38.000 -0.258 0.000 1.030 413 I HN -0.819 7.448 8.210 -0.179 -0.165 0.398 414 L N -1.127 120.070 121.223 -0.044 0.000 1.994 414 L HA -0.304 nan 4.340 nan 0.000 0.208 414 L C 1.848 178.645 176.870 -0.120 0.000 1.071 414 L CA 3.413 58.149 54.840 -0.174 0.000 0.745 414 L CB -0.479 41.369 42.059 -0.350 0.000 0.892 414 L HN -0.601 7.553 8.230 -0.127 0.000 0.431 415 L N -3.315 117.800 121.223 -0.180 0.000 2.127 415 L HA -0.440 nan 4.340 nan 0.000 0.211 415 L C 2.305 179.125 176.870 -0.084 0.000 1.089 415 L CA 2.708 57.415 54.840 -0.221 0.000 0.757 415 L CB -0.523 41.388 42.059 -0.247 0.000 0.899 415 L HN -0.709 7.411 8.230 -0.184 0.000 0.434 416 E N -2.571 117.584 120.200 -0.076 0.000 2.014 416 E HA -0.140 nan 4.350 nan 0.000 0.190 416 E C 2.020 178.664 176.600 0.074 0.000 0.980 416 E CA 1.843 58.216 56.400 -0.045 0.000 0.807 416 E CB 0.018 29.632 29.700 -0.144 0.000 0.770 416 E HN 0.038 8.109 8.360 -0.111 0.222 0.451 417 H N -2.258 116.902 119.070 0.150 0.000 2.352 417 H HA -0.237 nan 4.556 nan 0.000 0.299 417 H C 0.501 175.930 175.328 0.167 0.000 1.097 417 H CA 1.155 57.318 56.048 0.191 0.000 1.311 417 H CB 0.909 30.854 29.762 0.305 0.000 1.377 417 H HN -0.202 8.046 8.280 -0.053 0.000 0.504 418 G N -3.520 105.442 108.800 0.269 0.000 2.662 418 G HA2 -0.291 nan 3.960 nan 0.000 0.686 418 G HA3 -0.291 nan 3.960 nan 0.000 0.686 418 G C -1.094 173.881 174.900 0.124 0.000 1.271 418 G CA -0.731 44.468 45.100 0.166 0.000 0.816 418 G HN -0.462 7.966 8.290 0.230 0.000 0.608 419 L N 0.331 121.566 121.223 0.019 0.000 2.005 419 L HA -0.185 nan 4.340 nan 0.000 0.207 419 L C 1.813 178.686 176.870 0.005 0.000 1.072 419 L CA 2.854 57.654 54.840 -0.068 0.000 0.744 419 L CB 0.018 42.000 42.059 -0.127 0.000 0.895 419 L HN 0.721 8.969 8.230 0.030 0.000 0.433 420 T N -4.090 110.468 114.554 0.007 0.000 2.759 420 T HA -0.432 nan 4.350 nan 0.000 0.269 420 T C 1.141 175.854 174.700 0.023 0.000 1.042 420 T CA 3.265 65.368 62.100 0.006 0.000 1.140 420 T CB -0.592 68.278 68.868 0.004 0.000 0.864 420 T HN 0.022 8.262 8.240 0.001 0.000 0.455 421 Q N 0.998 120.837 119.800 0.064 0.000 3.027 421 Q HA -0.038 nan 4.340 nan 0.000 0.260 421 Q C -1.353 174.698 176.000 0.085 0.000 1.379 421 Q CA -0.728 55.094 55.803 0.032 0.000 1.038 421 Q CB -1.874 26.884 28.738 0.034 0.000 1.578 421 Q HN 0.015 8.337 8.270 0.090 0.002 0.571 422 F N -0.404 119.370 119.950 -0.292 0.000 1.837 422 F HA -0.091 nan 4.527 nan 0.000 0.371 422 F C 0.230 175.686 175.800 -0.574 0.000 1.006 422 F CA 2.019 59.661 58.000 -0.597 0.000 1.120 422 F CB 1.646 40.377 39.000 -0.449 0.000 1.527 422 F HN -0.228 8.050 8.300 -0.049 -0.007 0.423 423 V N 0.918 120.789 119.914 -0.071 0.000 2.295 423 V HA -0.496 nan 4.120 nan 0.000 0.246 423 V C 1.821 177.914 176.094 -0.002 0.000 1.049 423 V CA 5.365 67.650 62.300 -0.025 0.000 1.024 423 V CB -0.719 31.087 31.823 -0.028 0.000 0.648 423 V HN 0.255 8.448 8.190 0.005 0.000 0.447 424 E N -0.495 119.692 120.200 -0.021 0.000 2.028 424 E HA -0.418 nan 4.350 nan 0.000 0.191 424 E C 2.436 179.042 176.600 0.009 0.000 0.988 424 E CA 3.476 59.883 56.400 0.012 0.000 0.799 424 E CB -0.390 29.312 29.700 0.003 0.000 0.755 424 E HN 0.265 8.606 8.360 -0.031 0.000 0.447 425 S N 0.486 116.133 115.700 -0.087 0.000 2.365 425 S HA -0.261 nan 4.470 nan 0.000 0.225 425 S C 2.264 176.982 174.600 0.195 0.000 1.039 425 S CA 3.568 61.738 58.200 -0.050 0.000 1.033 425 S CB -0.190 62.858 63.200 -0.253 0.000 0.887 425 S HN -0.484 7.913 8.310 -0.162 -0.184 0.447 426 F N -0.679 119.286 119.950 0.024 0.000 2.325 426 F HA -0.008 nan 4.527 nan 0.000 0.299 426 F C 1.929 177.776 175.800 0.079 0.000 1.090 426 F CA 0.268 58.315 58.000 0.079 0.000 1.392 426 F CB -1.060 38.039 39.000 0.166 0.000 1.053 426 F HN 0.297 8.461 8.300 -0.032 0.117 0.521 427 T N 0.926 115.625 114.554 0.242 0.000 2.833 427 T HA -0.242 nan 4.350 nan 0.000 0.269 427 T C 0.858 175.652 174.700 0.157 0.000 1.054 427 T CA 3.863 66.060 62.100 0.162 0.000 1.135 427 T CB -0.212 68.742 68.868 0.144 0.000 0.869 427 T HN -0.237 8.032 8.240 0.202 0.092 0.466 428 R N 1.905 122.488 120.500 0.139 0.000 2.575 428 R HA 0.245 nan 4.340 nan 0.000 0.281 428 R C -2.420 173.920 176.300 0.067 0.000 1.272 428 R CA -1.120 55.033 56.100 0.088 0.000 1.417 428 R CB -0.147 30.190 30.300 0.062 0.000 1.121 428 R HN -0.653 7.687 8.270 0.147 0.018 0.583 429 Q N 1.576 121.408 119.800 0.053 0.000 2.869 429 Q HA 0.052 nan 4.340 nan 0.000 0.213 429 Q C -2.036 173.958 176.000 -0.009 0.000 0.762 429 Q CA -0.032 55.775 55.803 0.005 0.000 1.065 429 Q CB 2.182 30.936 28.738 0.027 0.000 1.594 429 Q HN -0.499 7.808 8.270 0.063 0.000 0.503 430 I N 4.113 124.670 120.570 -0.022 0.000 2.710 430 I HA -0.060 nan 4.170 nan 0.000 0.286 430 I C -0.728 175.472 176.117 0.138 0.000 1.181 430 I CA 0.138 61.457 61.300 0.031 0.000 1.430 430 I CB -0.197 37.834 38.000 0.051 0.000 1.367 430 I HN -0.140 8.039 8.210 -0.052 0.000 0.577 431 A N 7.037 129.916 122.820 0.098 0.000 2.281 431 A HA 0.571 nan 4.320 nan 0.000 0.329 431 A C -0.839 176.735 177.584 -0.017 0.000 1.122 431 A CA -1.901 50.190 52.037 0.090 0.000 0.850 431 A CB 2.880 21.848 19.000 -0.054 0.000 1.207 431 A HN 0.339 8.494 8.150 0.007 0.000 0.495 432 G N -1.559 107.083 108.800 -0.263 0.000 2.554 432 G HA2 -0.093 nan 3.960 nan 0.000 0.238 432 G HA3 -0.093 nan 3.960 nan 0.000 0.238 432 G C -1.274 173.413 174.900 -0.355 0.000 1.259 432 G CA -0.242 44.522 45.100 -0.560 0.000 0.843 432 G HN 0.142 8.220 8.290 -0.184 0.101 0.582 433 R N 1.822 122.110 120.500 -0.353 0.000 2.539 433 R HA 0.035 nan 4.340 nan 0.000 0.275 433 R C -0.089 176.044 176.300 -0.280 0.000 1.077 433 R CA 0.507 56.423 56.100 -0.306 0.000 1.097 433 R CB 0.796 30.941 30.300 -0.259 0.000 1.018 433 R HN -0.322 7.703 8.270 -0.409 0.000 0.483 434 V N 3.647 123.390 119.914 -0.285 0.000 2.326 434 V HA 0.039 nan 4.120 nan 0.000 0.237 434 V C 0.658 176.659 176.094 -0.156 0.000 1.044 434 V CA 2.955 65.129 62.300 -0.211 0.000 1.035 434 V CB 0.663 32.347 31.823 -0.232 0.000 0.675 434 V HN -0.083 7.891 8.190 -0.360 0.000 0.470 435 A N -1.114 121.630 122.820 -0.127 0.000 3.215 435 A HA 0.295 nan 4.320 nan 0.000 0.269 435 A C -0.613 176.903 177.584 -0.114 0.000 1.517 435 A CA -0.546 51.430 52.037 -0.100 0.000 1.221 435 A CB -1.508 17.470 19.000 -0.037 0.000 1.160 435 A HN -0.044 7.914 8.150 -0.139 0.108 0.620 436 G N -0.100 108.624 108.800 -0.127 0.000 2.789 436 G HA2 0.091 nan 3.960 nan 0.000 0.207 436 G HA3 0.091 nan 3.960 nan 0.000 0.207 436 G C -1.094 173.745 174.900 -0.101 0.000 1.153 436 G CA -0.192 44.837 45.100 -0.118 0.000 0.847 436 G HN -0.552 7.597 8.290 -0.135 0.060 0.615 437 G N -0.857 107.882 108.800 -0.101 0.000 2.301 437 G HA2 -0.140 nan 3.960 nan 0.000 0.290 437 G HA3 -0.140 nan 3.960 nan 0.000 0.290 437 G C -0.962 173.891 174.900 -0.078 0.000 1.669 437 G CA 0.020 45.070 45.100 -0.083 0.000 0.945 437 G HN -0.817 7.405 8.290 -0.114 0.000 0.710 438 R N -0.997 119.466 120.500 -0.062 0.000 3.225 438 R HA -0.587 nan 4.340 nan 0.000 0.245 438 R C -1.535 174.725 176.300 -0.066 0.000 0.928 438 R CA 0.612 56.681 56.100 -0.051 0.000 0.632 438 R CB -1.924 28.351 30.300 -0.041 0.000 1.038 438 R HN 0.156 8.392 8.270 -0.057 0.000 0.461 439 N N -3.183 115.469 118.700 -0.081 0.000 2.351 439 N HA 0.132 nan 4.740 nan 0.000 0.254 439 N C -0.446 175.015 175.510 -0.081 0.000 1.241 439 N CA -0.797 52.184 53.050 -0.114 0.000 0.883 439 N CB 0.819 39.195 38.487 -0.185 0.000 1.202 439 N HN -0.293 8.042 8.380 -0.074 0.000 0.512 440 V N 2.900 122.797 119.914 -0.029 0.000 2.432 440 V HA 0.237 nan 4.120 nan 0.000 0.271 440 V C -1.888 174.202 176.094 -0.008 0.000 1.046 440 V CA -2.823 59.488 62.300 0.018 0.000 0.945 440 V CB -0.038 31.818 31.823 0.056 0.000 0.992 440 V HN -0.523 7.682 8.190 -0.028 -0.032 0.471 441 P HA -0.090 nan 4.420 nan 0.000 0.258 441 P C -0.053 177.158 177.300 -0.149 0.000 1.172 441 P CA 0.835 63.888 63.100 -0.078 0.000 0.762 441 P CB 0.163 31.819 31.700 -0.073 0.000 0.764 442 I N 3.423 123.911 120.570 -0.138 0.000 2.623 442 I HA -0.529 nan 4.170 nan 0.000 0.261 442 I C 1.183 177.199 176.117 -0.167 0.000 1.204 442 I CA 3.212 64.440 61.300 -0.119 0.000 1.444 442 I CB -0.602 37.350 38.000 -0.081 0.000 1.094 442 I HN 0.696 8.840 8.210 -0.110 0.000 0.451 443 A N -0.464 122.167 122.820 -0.315 0.000 1.843 443 A HA -0.098 nan 4.320 nan 0.000 0.213 443 A C 1.326 178.776 177.584 -0.222 0.000 1.202 443 A CA 2.455 54.282 52.037 -0.351 0.000 0.607 443 A CB -0.251 18.268 19.000 -0.801 0.000 0.847 443 A HN -0.163 7.670 8.150 -0.419 0.065 0.445 444 V N -0.930 118.844 119.914 -0.234 0.000 3.611 444 V HA -0.138 nan 4.120 nan 0.000 0.281 444 V C 0.620 176.643 176.094 -0.118 0.000 1.247 444 V CA 0.521 62.740 62.300 -0.135 0.000 1.198 444 V CB -2.340 29.449 31.823 -0.057 0.000 0.977 444 V HN -0.303 7.684 8.190 -0.338 0.000 0.445 445 Q N 1.153 120.899 119.800 -0.090 0.000 2.170 445 Q HA -0.329 nan 4.340 nan 0.000 0.203 445 Q C 1.637 177.613 176.000 -0.041 0.000 0.976 445 Q CA 2.949 58.724 55.803 -0.046 0.000 0.858 445 Q CB -0.810 27.902 28.738 -0.043 0.000 0.907 445 Q HN -0.376 7.608 8.270 -0.113 0.218 0.433 446 A N -0.503 122.283 122.820 -0.057 0.000 1.902 446 A HA -0.252 nan 4.320 nan 0.000 0.217 446 A C 1.798 179.343 177.584 -0.065 0.000 1.181 446 A CA 3.108 55.116 52.037 -0.048 0.000 0.623 446 A CB -0.949 18.026 19.000 -0.041 0.000 0.818 446 A HN -0.460 7.627 8.150 -0.068 0.023 0.443 447 V N -0.134 119.712 119.914 -0.114 0.000 2.237 447 V HA -0.393 nan 4.120 nan 0.000 0.245 447 V C 2.485 178.520 176.094 -0.098 0.000 1.046 447 V CA 3.677 65.878 62.300 -0.165 0.000 1.007 447 V CB -0.952 30.627 31.823 -0.408 0.000 0.638 447 V HN -0.680 7.345 8.190 -0.129 0.087 0.445 448 A N -2.011 120.783 122.820 -0.044 0.000 1.986 448 A HA -0.398 nan 4.320 nan 0.000 0.220 448 A C 1.623 179.249 177.584 0.070 0.000 1.171 448 A CA 3.181 55.293 52.037 0.125 0.000 0.640 448 A CB -0.865 18.236 19.000 0.169 0.000 0.811 448 A HN -0.084 8.008 8.150 -0.097 0.000 0.451 449 K N -0.971 119.435 120.400 0.011 0.000 1.965 449 K HA -0.345 nan 4.320 nan 0.000 0.214 449 K C 2.030 178.601 176.600 -0.047 0.000 1.042 449 K CA 2.602 58.889 56.287 -0.000 0.000 0.950 449 K CB 0.014 32.508 32.500 -0.011 0.000 0.733 449 K HN -0.336 7.775 8.250 -0.009 0.133 0.441 450 A N -1.323 121.461 122.820 -0.059 0.000 1.893 450 A HA -0.474 nan 4.320 nan 0.000 0.222 450 A C 2.186 179.687 177.584 -0.138 0.000 1.309 450 A CA 3.179 55.172 52.037 -0.073 0.000 0.681 450 A CB -1.005 17.961 19.000 -0.056 0.000 0.842 450 A HN -0.035 8.086 8.150 -0.049 0.000 0.468 451 S N -1.141 114.431 115.700 -0.213 0.000 2.390 451 S HA -0.492 nan 4.470 nan 0.000 0.234 451 S C 2.234 176.494 174.600 -0.567 0.000 1.063 451 S CA 4.256 62.155 58.200 -0.502 0.000 1.108 451 S CB -0.560 62.062 63.200 -0.963 0.000 0.975 451 S HN -0.120 8.103 8.310 -0.145 0.000 0.442 452 I N 0.099 120.453 120.570 -0.361 0.000 2.090 452 I HA -0.505 nan 4.170 nan 0.000 0.236 452 I C 1.248 177.302 176.117 -0.106 0.000 1.064 452 I CA 3.457 64.687 61.300 -0.117 0.000 1.324 452 I CB -0.354 37.686 38.000 0.067 0.000 1.044 452 I HN 0.184 8.148 8.210 -0.274 0.082 0.399 453 D N -2.703 117.650 120.400 -0.077 0.000 2.348 453 D HA -0.256 nan 4.640 nan 0.000 0.216 453 D C 2.440 178.700 176.300 -0.068 0.000 0.970 453 D CA 2.296 56.264 54.000 -0.053 0.000 0.889 453 D CB -0.745 40.039 40.800 -0.026 0.000 0.912 453 D HN -0.570 7.757 8.370 -0.071 0.000 0.524 454 Q N 0.656 120.389 119.800 -0.111 0.000 2.134 454 Q HA -0.103 nan 4.340 nan 0.000 0.195 454 Q C 2.092 177.999 176.000 -0.156 0.000 0.958 454 Q CA 2.957 58.706 55.803 -0.091 0.000 0.840 454 Q CB 0.591 29.281 28.738 -0.079 0.000 0.918 454 Q HN 0.381 8.422 8.270 -0.151 0.139 0.467 455 S N 0.511 116.019 115.700 -0.320 0.000 2.469 455 S HA -0.321 nan 4.470 nan 0.000 0.238 455 S C 1.714 176.105 174.600 -0.349 0.000 0.998 455 S CA 4.061 61.895 58.200 -0.611 0.000 0.957 455 S CB -0.479 62.146 63.200 -0.958 0.000 0.764 455 S HN -0.082 8.026 8.310 -0.336 0.000 0.514 456 R N -0.540 119.867 120.500 -0.156 0.000 2.100 456 R HA -0.148 nan 4.340 nan 0.000 0.220 456 R C 2.521 178.826 176.300 0.010 0.000 1.091 456 R CA 3.174 59.252 56.100 -0.037 0.000 0.986 456 R CB -0.047 30.241 30.300 -0.019 0.000 0.888 456 R HN -0.608 7.488 8.270 -0.158 0.079 0.444 457 E N 1.735 121.935 120.200 -0.001 0.000 2.051 457 E HA -0.260 nan 4.350 nan 0.000 0.192 457 E C 1.236 177.872 176.600 0.059 0.000 0.991 457 E CA 2.478 58.898 56.400 0.033 0.000 0.799 457 E CB -0.342 29.379 29.700 0.035 0.000 0.748 457 E HN -0.773 7.451 8.360 -0.034 0.115 0.449 458 M N -3.569 116.074 119.600 0.072 0.000 2.776 458 M HA -0.136 nan 4.480 nan 0.000 0.233 458 M C -1.348 175.063 176.300 0.184 0.000 1.078 458 M CA 0.395 55.775 55.300 0.132 0.000 1.058 458 M CB -0.091 32.648 32.600 0.232 0.000 1.611 458 M HN -0.425 7.883 8.290 0.030 0.000 0.541 459 K N -4.168 116.318 120.400 0.144 0.000 3.278 459 K HA -0.516 nan 4.320 nan 0.000 0.270 459 K C -0.191 176.538 176.600 0.216 0.000 0.955 459 K CA 1.031 57.400 56.287 0.136 0.000 0.723 459 K CB -2.812 29.727 32.500 0.065 0.000 1.382 459 K HN -0.587 7.497 8.250 0.101 0.226 0.461 460 Y N -0.887 119.432 120.300 0.031 0.000 2.279 460 Y HA -0.270 nan 4.550 nan 0.000 0.350 460 Y C -0.077 175.897 175.900 0.123 0.000 1.288 460 Y CA 0.520 58.667 58.100 0.077 0.000 1.547 460 Y CB 0.431 38.906 38.460 0.026 0.000 1.381 460 Y HN -0.654 7.855 8.280 0.381 0.000 0.630 461 Q N -1.193 118.866 119.800 0.431 0.000 2.241 461 Q HA 0.225 nan 4.340 nan 0.000 0.262 461 Q C -0.563 175.648 176.000 0.353 0.000 1.014 461 Q CA -1.616 54.383 55.803 0.327 0.000 0.885 461 Q CB 2.895 31.760 28.738 0.211 0.000 1.311 461 Q HN 0.024 8.651 8.270 0.596 0.000 0.461 462 S N -0.686 115.144 115.700 0.217 0.000 2.558 462 S HA -0.139 nan 4.470 nan 0.000 0.287 462 S C 1.455 176.178 174.600 0.206 0.000 1.321 462 S CA 0.087 58.386 58.200 0.165 0.000 1.048 462 S CB 0.846 64.102 63.200 0.093 0.000 0.844 462 S HN 0.254 8.656 8.310 0.154 0.000 0.512 463 L N 4.819 126.106 121.223 0.107 0.000 2.187 463 L HA -0.348 nan 4.340 nan 0.000 0.213 463 L C 1.000 177.908 176.870 0.064 0.000 1.100 463 L CA 2.882 57.765 54.840 0.072 0.000 0.765 463 L CB 0.119 42.168 42.059 -0.018 0.000 0.904 463 L HN 0.845 9.013 8.230 0.062 0.099 0.437 464 N N -1.948 116.767 118.700 0.025 0.000 2.333 464 N HA -0.197 nan 4.740 nan 0.000 0.178 464 N C 1.767 177.272 175.510 -0.008 0.000 1.018 464 N CA 3.389 56.423 53.050 -0.028 0.000 0.882 464 N CB -0.122 38.333 38.487 -0.054 0.000 0.984 464 N HN -0.271 8.094 8.380 0.026 0.030 0.434 465 E N 1.434 121.642 120.200 0.013 0.000 2.118 465 E HA -0.336 nan 4.350 nan 0.000 0.195 465 E C 2.349 178.892 176.600 -0.096 0.000 0.992 465 E CA 2.766 59.129 56.400 -0.061 0.000 0.804 465 E CB -0.484 29.163 29.700 -0.089 0.000 0.741 465 E HN -0.586 7.802 8.360 0.046 0.000 0.458 466 Y N -1.223 119.084 120.300 0.012 0.000 2.200 466 Y HA -0.322 nan 4.550 nan 0.000 0.290 466 Y C 2.403 178.357 175.900 0.091 0.000 1.137 466 Y CA 4.190 62.334 58.100 0.074 0.000 1.163 466 Y CB -0.235 38.251 38.460 0.044 0.000 0.988 466 Y HN -0.492 7.939 8.280 0.257 0.003 0.518 467 R N -1.058 119.515 120.500 0.122 0.000 2.081 467 R HA -0.439 nan 4.340 nan 0.000 0.235 467 R C 2.194 178.510 176.300 0.026 0.000 1.131 467 R CA 4.020 60.132 56.100 0.019 0.000 0.960 467 R CB -0.284 29.924 30.300 -0.152 0.000 0.856 467 R HN -0.433 7.815 8.270 0.106 0.086 0.436 468 K N -0.399 119.992 120.400 -0.015 0.000 2.002 468 K HA -0.353 nan 4.320 nan 0.000 0.209 468 K C 2.523 179.105 176.600 -0.029 0.000 1.048 468 K CA 3.541 59.804 56.287 -0.039 0.000 0.930 468 K CB -0.241 32.214 32.500 -0.074 0.000 0.714 468 K HN 0.329 8.455 8.250 -0.025 0.109 0.438 469 R N 0.400 120.871 120.500 -0.048 0.000 2.113 469 R HA -0.273 nan 4.340 nan 0.000 0.244 469 R C 2.064 178.251 176.300 -0.189 0.000 1.142 469 R CA 2.360 58.385 56.100 -0.125 0.000 0.953 469 R CB -0.244 29.962 30.300 -0.158 0.000 0.860 469 R HN 0.027 8.153 8.270 -0.056 0.110 0.438 470 F N -0.390 119.529 119.950 -0.052 0.000 2.949 470 F HA 0.152 nan 4.527 nan 0.000 0.291 470 F C -0.848 174.943 175.800 -0.015 0.000 1.214 470 F CA -0.391 57.578 58.000 -0.051 0.000 1.381 470 F CB -0.637 38.321 39.000 -0.071 0.000 1.066 470 F HN -0.307 8.118 8.300 0.344 0.081 0.520 471 S N -2.771 112.976 115.700 0.079 0.000 3.521 471 S HA -0.523 nan 4.470 nan 0.000 0.362 471 S C -1.152 173.503 174.600 0.093 0.000 1.044 471 S CA 1.345 59.607 58.200 0.103 0.000 1.091 471 S CB -1.995 61.310 63.200 0.176 0.000 0.908 471 S HN 0.036 8.260 8.310 0.016 0.095 0.473 472 L N -2.086 119.171 121.223 0.057 0.000 2.313 472 L HA 0.276 nan 4.340 nan 0.000 0.268 472 L C -1.667 175.177 176.870 -0.043 0.000 1.010 472 L CA -1.790 53.055 54.840 0.008 0.000 0.814 472 L CB 1.453 43.496 42.059 -0.027 0.000 1.304 472 L HN -0.222 7.933 8.230 0.055 0.109 0.441 473 K N 1.155 121.510 120.400 -0.076 0.000 2.211 473 K HA 0.379 nan 4.320 nan 0.000 0.275 473 K C -1.885 174.602 176.600 -0.188 0.000 1.024 473 K CA -3.708 52.527 56.287 -0.087 0.000 0.887 473 K CB 1.778 34.257 32.500 -0.035 0.000 1.084 473 K HN 0.389 8.597 8.250 -0.069 0.000 0.463 474 P HA -0.111 nan 4.420 nan 0.000 0.268 474 P C -1.829 175.389 177.300 -0.137 0.000 1.208 474 P CA -0.015 62.966 63.100 -0.198 0.000 0.777 474 P CB 0.534 32.174 31.700 -0.100 0.000 0.875 475 Y N -1.945 118.317 120.300 -0.063 0.000 2.346 475 Y HA -0.074 nan 4.550 nan 0.000 0.330 475 Y C 1.585 177.436 175.900 -0.082 0.000 1.178 475 Y CA -0.270 57.782 58.100 -0.079 0.000 1.331 475 Y CB 0.787 39.174 38.460 -0.122 0.000 1.253 475 Y HN -0.355 7.800 8.280 -0.209 0.000 0.529 476 T N -2.682 111.952 114.554 0.134 0.000 3.065 476 T HA 0.098 nan 4.350 nan 0.000 0.252 476 T C -0.253 174.461 174.700 0.023 0.000 1.099 476 T CA 0.147 62.279 62.100 0.053 0.000 1.063 476 T CB 0.456 69.353 68.868 0.048 0.000 0.948 476 T HN 0.182 8.805 8.240 0.173 -0.279 0.506 477 S N -1.679 114.015 115.700 -0.011 0.000 2.567 477 S HA 0.170 nan 4.470 nan 0.000 0.270 477 S C -0.156 174.389 174.600 -0.091 0.000 1.152 477 S CA -0.698 57.498 58.200 -0.006 0.000 0.835 477 S CB 2.051 65.272 63.200 0.036 0.000 1.115 477 S HN -0.778 7.484 8.310 -0.015 0.039 0.459 478 F N 2.038 121.956 119.950 -0.053 0.000 2.269 478 F HA -0.343 nan 4.527 nan 0.000 0.301 478 F C 1.488 177.207 175.800 -0.135 0.000 1.082 478 F CA 4.994 62.940 58.000 -0.091 0.000 1.360 478 F CB -0.329 38.637 39.000 -0.056 0.000 1.041 478 F HN 0.698 9.230 8.300 0.387 0.000 0.512 479 E N -1.133 119.103 120.200 0.061 0.000 2.106 479 E HA -0.294 nan 4.350 nan 0.000 0.192 479 E C 2.417 178.940 176.600 -0.127 0.000 0.984 479 E CA 3.888 60.277 56.400 -0.018 0.000 0.806 479 E CB -0.902 28.803 29.700 0.009 0.000 0.750 479 E HN 0.610 9.004 8.360 0.118 0.036 0.458 480 E N -0.963 119.125 120.200 -0.188 0.000 2.051 480 E HA -0.295 nan 4.350 nan 0.000 0.192 480 E C 2.082 178.241 176.600 -0.735 0.000 0.991 480 E CA 2.838 59.036 56.400 -0.337 0.000 0.799 480 E CB -0.075 29.478 29.700 -0.246 0.000 0.748 480 E HN -0.525 7.619 8.360 -0.124 0.141 0.449 481 L N -2.422 118.319 121.223 -0.804 0.000 1.994 481 L HA -0.219 nan 4.340 nan 0.000 0.208 481 L C 1.660 178.270 176.870 -0.434 0.000 1.071 481 L CA 3.088 57.412 54.840 -0.859 0.000 0.745 481 L CB 0.423 42.221 42.059 -0.433 0.000 0.892 481 L HN -0.286 7.550 8.230 -0.529 0.077 0.431 482 T N -5.925 108.482 114.554 -0.245 0.000 3.035 482 T HA 0.026 nan 4.350 nan 0.000 0.259 482 T C 1.692 176.318 174.700 -0.124 0.000 1.078 482 T CA 1.764 63.777 62.100 -0.145 0.000 1.132 482 T CB 0.252 69.075 68.868 -0.076 0.000 0.900 482 T HN 0.019 8.133 8.240 -0.211 0.000 0.480 483 G N 2.679 111.402 108.800 -0.127 0.000 2.153 483 G HA2 -0.344 nan 3.960 nan 0.000 0.252 483 G HA3 -0.344 nan 3.960 nan 0.000 0.252 483 G C -1.476 173.386 174.900 -0.064 0.000 0.994 483 G CA 0.275 45.320 45.100 -0.092 0.000 0.698 483 G HN 0.443 8.642 8.290 -0.152 0.000 0.521 484 E N -3.236 116.929 120.200 -0.057 0.000 2.445 484 E HA 0.261 nan 4.350 nan 0.000 0.279 484 E C -1.515 175.065 176.600 -0.032 0.000 1.018 484 E CA -1.880 54.495 56.400 -0.042 0.000 0.816 484 E CB 1.690 31.364 29.700 -0.044 0.000 1.356 484 E HN -0.779 7.501 8.360 -0.063 0.042 0.462 485 K N -2.122 118.262 120.400 -0.026 0.000 2.313 485 K HA 0.025 nan 4.320 nan 0.000 0.197 485 K C 1.394 177.982 176.600 -0.021 0.000 1.061 485 K CA 1.017 57.292 56.287 -0.019 0.000 0.980 485 K CB 0.303 32.793 32.500 -0.017 0.000 0.888 485 K HN 0.381 8.615 8.250 -0.027 0.000 0.502 486 E N 0.250 120.435 120.200 -0.025 0.000 2.013 486 E HA -0.314 nan 4.350 nan 0.000 0.202 486 E C 2.367 178.949 176.600 -0.029 0.000 1.018 486 E CA 3.204 59.588 56.400 -0.027 0.000 0.834 486 E CB -0.258 29.427 29.700 -0.026 0.000 0.770 486 E HN -0.020 8.325 8.360 -0.025 0.000 0.459 487 M N -0.841 118.743 119.600 -0.027 0.000 2.080 487 M HA -0.431 nan 4.480 nan 0.000 0.260 487 M C 2.004 178.292 176.300 -0.020 0.000 1.068 487 M CA 3.378 58.664 55.300 -0.023 0.000 1.109 487 M CB -0.033 32.554 32.600 -0.020 0.000 1.342 487 M HN -0.536 8.100 8.290 -0.028 -0.363 0.405 488 A N -1.129 121.689 122.820 -0.002 0.000 1.896 488 A HA -0.487 nan 4.320 nan 0.000 0.220 488 A C 1.712 179.264 177.584 -0.053 0.000 1.206 488 A CA 3.300 55.359 52.037 0.037 0.000 0.647 488 A CB -1.148 17.878 19.000 0.043 0.000 0.828 488 A HN 0.271 8.775 8.150 -0.008 -0.360 0.455 489 A N -3.645 119.139 122.820 -0.059 0.000 1.969 489 A HA -0.257 nan 4.320 nan 0.000 0.218 489 A C 2.125 179.627 177.584 -0.137 0.000 1.169 489 A CA 2.765 54.744 52.037 -0.097 0.000 0.635 489 A CB -0.743 18.223 19.000 -0.057 0.000 0.810 489 A HN 0.134 8.263 8.150 -0.036 0.000 0.445 490 E N -0.172 119.967 120.200 -0.101 0.000 2.072 490 E HA -0.221 nan 4.350 nan 0.000 0.191 490 E C 2.194 178.720 176.600 -0.123 0.000 0.985 490 E CA 2.293 58.641 56.400 -0.087 0.000 0.801 490 E CB -0.526 29.146 29.700 -0.045 0.000 0.750 490 E HN -0.671 7.524 8.360 -0.072 0.122 0.452 491 L N -0.329 120.799 121.223 -0.158 0.000 2.005 491 L HA -0.368 nan 4.340 nan 0.000 0.207 491 L C 1.868 178.299 176.870 -0.732 0.000 1.072 491 L CA 3.016 57.740 54.840 -0.194 0.000 0.744 491 L CB -0.163 41.895 42.059 -0.001 0.000 0.895 491 L HN 0.505 8.552 8.230 -0.126 0.107 0.433 492 K N -0.803 118.849 120.400 -1.246 0.000 2.113 492 K HA -0.443 nan 4.320 nan 0.000 0.208 492 K C 2.448 178.732 176.600 -0.526 0.000 1.047 492 K CA 3.478 58.958 56.287 -1.346 0.000 0.928 492 K CB -0.143 32.002 32.500 -0.592 0.000 0.716 492 K HN 0.477 8.098 8.250 -0.866 0.110 0.446 493 A N -0.948 121.680 122.820 -0.320 0.000 1.858 493 A HA -0.245 nan 4.320 nan 0.000 0.216 493 A C 2.219 179.722 177.584 -0.135 0.000 1.190 493 A CA 2.807 54.745 52.037 -0.165 0.000 0.617 493 A CB -0.792 18.137 19.000 -0.118 0.000 0.827 493 A HN -0.309 7.445 8.150 -0.323 0.202 0.443 494 L N -2.373 118.772 121.223 -0.129 0.000 1.961 494 L HA -0.374 nan 4.340 nan 0.000 0.210 494 L C 2.833 179.623 176.870 -0.135 0.000 1.072 494 L CA 3.081 57.850 54.840 -0.118 0.000 0.749 494 L CB 0.037 42.050 42.059 -0.077 0.000 0.889 494 L HN -0.676 7.404 8.230 -0.140 0.065 0.432 495 Y N -4.019 116.237 120.300 -0.073 0.000 2.373 495 Y HA -0.392 nan 4.550 nan 0.000 0.293 495 Y C 1.034 177.023 175.900 0.147 0.000 1.129 495 Y CA 3.170 61.344 58.100 0.122 0.000 1.226 495 Y CB -0.140 38.593 38.460 0.454 0.000 1.000 495 Y HN 0.425 8.728 8.280 0.202 0.099 0.549 496 S N -3.194 112.595 115.700 0.149 0.000 4.130 496 S HA -0.508 nan 4.470 nan 0.000 0.326 496 S C -0.594 174.214 174.600 0.347 0.000 1.851 496 S CA 2.622 60.912 58.200 0.149 0.000 4.216 496 S CB -0.853 62.408 63.200 0.101 0.000 0.301 496 S HN 0.026 8.197 8.310 -0.052 0.109 0.455 497 D N 2.083 122.689 120.400 0.344 0.000 2.256 497 D HA 0.150 nan 4.640 nan 0.000 0.250 497 D C 1.246 177.710 176.300 0.274 0.000 1.093 497 D CA -0.713 53.457 54.000 0.284 0.000 0.882 497 D CB 1.144 42.041 40.800 0.162 0.000 1.185 497 D HN -0.328 8.179 8.370 0.294 0.040 0.437 498 I N 4.682 125.274 120.570 0.035 0.000 2.394 498 I HA -0.221 nan 4.170 nan 0.000 0.251 498 I C 0.194 176.181 176.117 -0.217 0.000 1.136 498 I CA 1.776 62.818 61.300 -0.430 0.000 1.425 498 I CB 0.552 38.357 38.000 -0.325 0.000 1.079 498 I HN 0.446 8.718 8.210 0.102 0.000 0.425 499 D N -0.552 119.818 120.400 -0.050 0.000 2.358 499 D HA -0.041 nan 4.640 nan 0.000 0.241 499 D C 0.780 177.105 176.300 0.042 0.000 1.094 499 D CA 2.366 56.360 54.000 -0.009 0.000 0.907 499 D CB -0.619 40.186 40.800 0.009 0.000 0.893 499 D HN -0.365 8.329 8.370 -0.010 -0.329 0.528 500 V N -1.932 118.033 119.914 0.086 0.000 3.330 500 V HA 0.127 nan 4.120 nan 0.000 0.309 500 V C -0.941 175.308 176.094 0.258 0.000 1.481 500 V CA -1.758 60.661 62.300 0.199 0.000 1.068 500 V CB 0.137 32.121 31.823 0.267 0.000 0.935 500 V HN -0.632 7.396 8.190 0.056 0.196 0.453 501 M N 1.902 121.491 119.600 -0.018 0.000 2.243 501 M HA 0.045 nan 4.480 nan 0.000 0.341 501 M C -1.351 174.878 176.300 -0.118 0.000 1.130 501 M CA -0.677 54.430 55.300 -0.322 0.000 1.162 501 M CB 2.095 34.415 32.600 -0.466 0.000 1.497 501 M HN -0.280 7.794 8.290 -0.088 0.164 0.456 502 E N 3.617 123.734 120.200 -0.139 0.000 2.319 502 E HA 0.238 nan 4.350 nan 0.000 0.268 502 E C 0.464 177.048 176.600 -0.027 0.000 1.050 502 E CA -0.421 55.992 56.400 0.021 0.000 0.878 502 E CB 0.798 30.577 29.700 0.132 0.000 1.066 502 E HN 0.138 8.258 8.360 -0.401 0.000 0.406 503 L N 4.155 125.370 121.223 -0.013 0.000 1.989 503 L HA -0.360 nan 4.340 nan 0.000 0.211 503 L C 0.658 177.488 176.870 -0.066 0.000 1.071 503 L CA 3.942 58.732 54.840 -0.083 0.000 0.749 503 L CB 0.100 42.027 42.059 -0.219 0.000 0.890 503 L HN 0.573 8.819 8.230 0.027 0.000 0.431 504 Y N -2.133 118.077 120.300 -0.150 0.000 2.070 504 Y HA -0.366 nan 4.550 nan 0.000 0.280 504 Y C -1.024 174.830 175.900 -0.077 0.000 1.148 504 Y CA 4.882 62.901 58.100 -0.134 0.000 1.125 504 Y CB -2.326 36.036 38.460 -0.164 0.000 0.975 504 Y HN 0.145 8.457 8.280 0.053 0.000 0.492 505 P HA -0.303 nan 4.420 nan 0.000 0.214 505 P C 0.938 178.107 177.300 -0.218 0.000 1.162 505 P CA 2.873 65.843 63.100 -0.216 0.000 0.879 505 P CB -0.627 31.070 31.700 -0.006 0.000 0.786 506 A N -4.227 118.494 122.820 -0.165 0.000 2.093 506 A HA -0.226 nan 4.320 nan 0.000 0.222 506 A C 1.143 178.649 177.584 -0.130 0.000 1.162 506 A CA 2.548 54.504 52.037 -0.136 0.000 0.655 506 A CB -0.755 18.177 19.000 -0.112 0.000 0.805 506 A HN -0.474 7.589 8.150 -0.146 0.000 0.461 507 L N -3.785 117.323 121.223 -0.192 0.000 2.131 507 L HA -0.166 nan 4.340 nan 0.000 0.206 507 L C 1.092 177.845 176.870 -0.196 0.000 1.087 507 L CA 2.166 56.891 54.840 -0.192 0.000 0.767 507 L CB 0.463 42.382 42.059 -0.233 0.000 0.917 507 L HN -0.878 7.035 8.230 -0.240 0.172 0.441 508 L N -4.401 116.669 121.223 -0.255 0.000 2.307 508 L HA 0.011 nan 4.340 nan 0.000 0.211 508 L C 1.643 178.427 176.870 -0.144 0.000 1.099 508 L CA 1.685 56.405 54.840 -0.199 0.000 0.816 508 L CB 0.485 42.408 42.059 -0.228 0.000 0.952 508 L HN -0.588 7.344 8.230 -0.338 0.095 0.455 509 V N -2.008 117.824 119.914 -0.137 0.000 2.812 509 V HA 0.151 nan 4.120 nan 0.000 0.344 509 V C -1.948 174.087 176.094 -0.098 0.000 1.244 509 V CA -1.717 60.523 62.300 -0.100 0.000 1.447 509 V CB -1.306 30.472 31.823 -0.075 0.000 1.534 509 V HN -0.376 7.716 8.190 -0.163 0.000 0.590 510 E N 1.345 121.487 120.200 -0.097 0.000 2.277 510 E HA 0.257 nan 4.350 nan 0.000 0.266 510 E C -1.337 175.211 176.600 -0.087 0.000 0.901 510 E CA -1.629 54.719 56.400 -0.087 0.000 0.782 510 E CB 3.711 33.382 29.700 -0.049 0.000 1.228 510 E HN -0.788 7.455 8.360 -0.099 0.058 0.424 511 K N 4.525 124.865 120.400 -0.100 0.000 2.402 511 K HA 0.110 nan 4.320 nan 0.000 0.285 511 K C -2.127 174.434 176.600 -0.064 0.000 1.054 511 K CA -1.532 54.701 56.287 -0.089 0.000 1.001 511 K CB 0.428 32.865 32.500 -0.106 0.000 0.946 511 K HN 0.168 8.339 8.250 -0.132 0.000 0.473 512 P HA -0.071 nan 4.420 nan 0.000 0.271 512 P C -1.095 176.151 177.300 -0.091 0.000 1.216 512 P CA -0.177 62.869 63.100 -0.090 0.000 0.771 512 P CB 0.499 32.125 31.700 -0.124 0.000 0.864 513 R N 4.903 125.339 120.500 -0.106 0.000 2.679 513 R HA 0.068 nan 4.340 nan 0.000 0.268 513 R C -0.670 175.544 176.300 -0.142 0.000 1.044 513 R CA -0.342 55.676 56.100 -0.138 0.000 1.105 513 R CB -0.933 29.206 30.300 -0.268 0.000 0.989 513 R HN -0.053 8.157 8.270 -0.100 0.000 0.447 514 P HA -0.442 nan 4.420 nan 0.000 0.264 514 P C -0.163 177.073 177.300 -0.107 0.000 0.824 514 P CA 2.329 65.385 63.100 -0.074 0.000 1.073 514 P CB -0.067 31.602 31.700 -0.051 0.000 0.839 515 D N -1.730 118.595 120.400 -0.124 0.000 2.722 515 D HA 0.050 nan 4.640 nan 0.000 0.239 515 D C -0.901 175.275 176.300 -0.208 0.000 1.249 515 D CA -0.334 53.576 54.000 -0.150 0.000 0.830 515 D CB -0.601 40.117 40.800 -0.137 0.000 1.025 515 D HN 0.050 8.350 8.370 -0.117 0.000 0.486 516 A N -0.444 122.241 122.820 -0.225 0.000 2.332 516 A HA 0.201 nan 4.320 nan 0.000 0.258 516 A C -0.784 176.555 177.584 -0.409 0.000 1.087 516 A CA -0.731 51.121 52.037 -0.308 0.000 0.802 516 A CB 1.878 20.721 19.000 -0.263 0.000 1.042 516 A HN 0.363 8.200 8.150 -0.192 0.198 0.489 517 I N -1.509 118.657 120.570 -0.674 0.000 2.761 517 I HA -0.102 nan 4.170 nan 0.000 0.261 517 I C -2.021 173.637 176.117 -0.763 0.000 1.198 517 I CA 1.822 62.625 61.300 -0.830 0.000 1.482 517 I CB 0.776 38.073 38.000 -1.172 0.000 1.100 517 I HN 0.220 8.238 8.210 -0.761 -0.265 0.445 518 F N -6.868 112.900 119.950 -0.302 0.000 2.711 518 F HA 0.639 nan 4.527 nan 0.000 0.313 518 F C -1.116 174.566 175.800 -0.195 0.000 1.141 518 F CA -2.533 55.303 58.000 -0.274 0.000 0.941 518 F CB 1.348 40.137 39.000 -0.350 0.000 1.349 518 F HN -0.789 7.015 8.300 -0.779 0.028 0.464 519 G N -1.639 107.229 108.800 0.113 0.000 2.543 519 G HA2 0.213 nan 3.960 nan 0.000 0.290 519 G HA3 0.213 nan 3.960 nan 0.000 0.290 519 G C -0.974 173.965 174.900 0.065 0.000 1.310 519 G CA -1.612 43.517 45.100 0.048 0.000 1.025 519 G HN 0.035 8.379 8.290 0.090 0.000 0.502 520 E N -0.244 119.988 120.200 0.053 0.000 2.049 520 E HA -0.442 nan 4.350 nan 0.000 0.198 520 E C 1.955 178.568 176.600 0.021 0.000 1.007 520 E CA 3.745 60.181 56.400 0.059 0.000 0.809 520 E CB -0.047 29.698 29.700 0.074 0.000 0.749 520 E HN 0.607 8.997 8.360 0.050 0.000 0.450 521 T N 1.504 116.062 114.554 0.007 0.000 2.653 521 T HA -0.346 nan 4.350 nan 0.000 0.268 521 T C 2.126 176.749 174.700 -0.128 0.000 1.035 521 T CA 4.295 66.361 62.100 -0.057 0.000 1.154 521 T CB -0.669 68.180 68.868 -0.030 0.000 0.862 521 T HN -0.511 7.978 8.240 0.056 -0.215 0.441 522 M N 1.116 120.631 119.600 -0.141 0.000 2.059 522 M HA -0.265 nan 4.480 nan 0.000 0.259 522 M C 1.458 177.607 176.300 -0.252 0.000 1.072 522 M CA 2.975 58.115 55.300 -0.265 0.000 1.117 522 M CB -0.322 32.014 32.600 -0.439 0.000 1.320 522 M HN -0.707 7.678 8.290 -0.091 -0.150 0.408 523 V N -0.928 118.901 119.914 -0.142 0.000 2.469 523 V HA -0.493 nan 4.120 nan 0.000 0.251 523 V C 2.691 178.795 176.094 0.017 0.000 1.064 523 V CA 4.148 66.449 62.300 0.002 0.000 1.066 523 V CB -1.509 30.418 31.823 0.173 0.000 0.667 523 V HN -0.182 7.962 8.190 -0.077 0.000 0.461 524 E N -1.189 118.992 120.200 -0.032 0.000 2.086 524 E HA -0.166 nan 4.350 nan 0.000 0.190 524 E C 2.124 178.581 176.600 -0.238 0.000 0.975 524 E CA 2.279 58.660 56.400 -0.032 0.000 0.813 524 E CB -0.173 29.541 29.700 0.023 0.000 0.768 524 E HN 0.230 8.530 8.360 -0.053 0.028 0.457 525 L N -2.695 118.210 121.223 -0.530 0.000 2.056 525 L HA -0.098 nan 4.340 nan 0.000 0.207 525 L C 2.254 178.580 176.870 -0.906 0.000 1.078 525 L CA 2.540 56.644 54.840 -1.226 0.000 0.749 525 L CB 0.097 41.566 42.059 -0.984 0.000 0.901 525 L HN -0.563 7.437 8.230 -0.384 0.000 0.433 526 G N -3.280 105.332 108.800 -0.315 0.000 2.430 526 G HA2 -0.233 nan 3.960 nan 0.000 0.216 526 G HA3 -0.233 nan 3.960 nan 0.000 0.216 526 G C 0.311 175.402 174.900 0.318 0.000 1.146 526 G CA 1.315 46.502 45.100 0.146 0.000 0.793 526 G HN -0.240 7.886 8.290 -0.273 0.000 0.537 527 A N 2.047 124.978 122.820 0.186 0.000 1.865 527 A HA -0.098 nan 4.320 nan 0.000 0.217 527 A C -0.918 176.814 177.584 0.248 0.000 1.191 527 A CA 4.626 56.816 52.037 0.254 0.000 0.623 527 A CB -2.183 16.949 19.000 0.221 0.000 0.826 527 A HN -0.232 7.968 8.150 0.083 0.000 0.444 528 P HA -0.209 nan 4.420 nan 0.000 0.215 528 P C 1.398 178.892 177.300 0.322 0.000 1.157 528 P CA 2.990 66.237 63.100 0.246 0.000 0.868 528 P CB -0.268 31.607 31.700 0.291 0.000 0.788 529 F N -4.036 115.930 119.950 0.028 0.000 2.134 529 F HA -0.189 nan 4.527 nan 0.000 0.299 529 F C 2.337 177.807 175.800 -0.550 0.000 1.097 529 F CA 0.835 58.632 58.000 -0.338 0.000 1.264 529 F CB -0.911 37.768 39.000 -0.534 0.000 1.001 529 F HN -0.857 7.628 8.300 0.308 0.000 0.479 530 S N -1.422 114.341 115.700 0.105 0.000 2.522 530 S HA -0.166 nan 4.470 nan 0.000 0.227 530 S C 1.541 176.232 174.600 0.152 0.000 0.986 530 S CA 2.284 60.632 58.200 0.247 0.000 0.929 530 S CB -0.278 63.341 63.200 0.699 0.000 0.769 530 S HN -0.036 8.419 8.310 0.375 0.080 0.529 531 L N -0.550 120.752 121.223 0.132 0.000 2.316 531 L HA -0.015 nan 4.340 nan 0.000 0.207 531 L C 1.006 177.932 176.870 0.094 0.000 1.070 531 L CA 2.066 56.980 54.840 0.123 0.000 0.820 531 L CB 0.323 42.472 42.059 0.149 0.000 0.992 531 L HN -0.663 7.615 8.230 0.150 0.042 0.466 532 K N -1.340 119.099 120.400 0.064 0.000 2.439 532 K HA -0.267 nan 4.320 nan 0.000 0.197 532 K C 1.208 177.775 176.600 -0.055 0.000 1.041 532 K CA 2.911 59.230 56.287 0.054 0.000 0.970 532 K CB -0.205 32.282 32.500 -0.022 0.000 0.773 532 K HN -0.725 7.559 8.250 0.056 0.000 0.479 533 G N -3.631 105.075 108.800 -0.157 0.000 2.662 533 G HA2 0.091 nan 3.960 nan 0.000 0.212 533 G HA3 0.091 nan 3.960 nan 0.000 0.212 533 G C 0.173 174.969 174.900 -0.173 0.000 1.141 533 G CA 0.896 45.829 45.100 -0.279 0.000 0.797 533 G HN -0.651 7.504 8.290 -0.156 0.041 0.531 534 L N 1.019 122.209 121.223 -0.056 0.000 2.116 534 L HA 0.143 nan 4.340 nan 0.000 0.200 534 L C 1.187 178.098 176.870 0.069 0.000 1.084 534 L CA 1.999 56.836 54.840 -0.004 0.000 0.766 534 L CB -0.113 41.957 42.059 0.018 0.000 0.930 534 L HN -0.838 7.231 8.230 -0.029 0.144 0.453 535 M N -4.915 114.756 119.600 0.118 0.000 2.132 535 M HA -0.079 nan 4.480 nan 0.000 0.263 535 M C 2.300 178.834 176.300 0.391 0.000 1.065 535 M CA 0.320 55.719 55.300 0.166 0.000 1.122 535 M CB -0.148 32.419 32.600 -0.055 0.000 1.365 535 M HN 0.005 8.355 8.290 0.099 0.000 0.411 536 G N -1.184 107.869 108.800 0.422 0.000 3.197 536 G HA2 -0.132 nan 3.960 nan 0.000 0.257 536 G HA3 -0.132 nan 3.960 nan 0.000 0.257 536 G C -1.543 173.445 174.900 0.147 0.000 0.835 536 G CA -0.140 45.099 45.100 0.231 0.000 2.001 536 G HN -0.264 8.107 8.290 0.314 0.108 0.625 537 N N 1.920 120.771 118.700 0.253 0.000 2.352 537 N HA 0.314 nan 4.740 nan 0.000 0.291 537 N C -1.577 174.014 175.510 0.135 0.000 1.040 537 N CA -2.861 50.263 53.050 0.123 0.000 0.864 537 N CB 2.556 41.091 38.487 0.080 0.000 1.440 537 N HN -0.156 8.409 8.380 0.417 0.065 0.483 538 P HA -0.357 nan 4.420 nan 0.000 0.219 538 P C 1.362 178.462 177.300 -0.335 0.000 1.158 538 P CA 2.673 65.590 63.100 -0.304 0.000 0.895 538 P CB 0.238 31.584 31.700 -0.589 0.000 0.792 539 I N -6.061 114.439 120.570 -0.117 0.000 2.454 539 I HA -0.285 nan 4.170 nan 0.000 0.254 539 I C 0.915 177.286 176.117 0.423 0.000 1.156 539 I CA 2.992 64.457 61.300 0.276 0.000 1.433 539 I CB -0.509 37.824 38.000 0.554 0.000 1.082 539 I HN -0.693 7.676 8.210 -0.072 -0.203 0.432 540 C N -1.578 117.890 119.300 0.280 0.000 2.472 540 C HA -0.022 nan 4.460 nan 0.000 0.278 540 C C 0.107 175.297 174.990 0.333 0.000 1.447 540 C CA -0.280 58.888 59.018 0.249 0.000 1.773 540 C CB -1.960 25.991 27.740 0.352 0.000 1.793 540 C HN 0.032 8.293 8.230 0.238 0.111 0.544 541 S N 1.510 117.256 115.700 0.077 0.000 2.576 541 S HA 0.150 nan 4.470 nan 0.000 0.276 541 S C -0.870 173.650 174.600 -0.133 0.000 1.339 541 S CA -0.916 56.986 58.200 -0.496 0.000 1.039 541 S CB 0.322 63.300 63.200 -0.369 0.000 0.902 541 S HN -0.103 8.068 8.310 0.128 0.216 0.516 542 P HA -0.030 nan 4.420 nan 0.000 0.226 542 P C -0.035 177.086 177.300 -0.298 0.000 1.153 542 P CA 2.160 64.751 63.100 -0.848 0.000 0.777 542 P CB 0.006 30.985 31.700 -1.201 0.000 0.794 543 Q N -3.334 116.373 119.800 -0.154 0.000 2.212 543 Q HA -0.151 nan 4.340 nan 0.000 0.199 543 Q C 1.183 177.135 176.000 -0.080 0.000 0.950 543 Q CA 2.347 58.094 55.803 -0.094 0.000 0.863 543 Q CB -0.501 28.203 28.738 -0.057 0.000 0.944 543 Q HN -0.365 7.746 8.270 -0.174 0.055 0.465 544 Y N -3.376 116.912 120.300 -0.020 0.000 2.479 544 Y HA -0.038 nan 4.550 nan 0.000 0.283 544 Y C 0.413 176.405 175.900 0.154 0.000 1.109 544 Y CA 0.833 58.949 58.100 0.026 0.000 1.239 544 Y CB 1.685 40.213 38.460 0.113 0.000 1.108 544 Y HN -0.673 7.710 8.280 0.349 0.107 0.548 545 W N 2.845 124.304 121.300 0.265 0.000 1.534 545 W HA -0.179 nan 4.660 nan 0.000 0.520 545 W C -1.037 175.547 176.519 0.108 0.000 0.682 545 W CA 1.179 58.741 57.345 0.361 0.000 2.176 545 W CB -0.848 28.962 29.460 0.584 0.000 1.620 545 W HN 0.340 8.773 8.180 0.598 0.106 0.206 546 K N 0.697 120.855 120.400 -0.404 0.000 2.556 546 K HA 0.387 nan 4.320 nan 0.000 0.274 546 K C -2.805 173.202 176.600 -0.988 0.000 0.966 546 K CA -2.968 52.890 56.287 -0.714 0.000 0.865 546 K CB 0.432 32.728 32.500 -0.339 0.000 1.444 546 K HN -0.225 7.802 8.250 -0.300 0.043 0.433 547 P HA -0.181 nan 4.420 nan 0.000 0.286 547 P C 0.436 177.548 177.300 -0.314 0.000 1.278 547 P CA 0.473 63.244 63.100 -0.547 0.000 0.785 547 P CB -0.147 31.400 31.700 -0.255 0.000 1.269 548 S N -4.686 110.954 115.700 -0.100 0.000 1.885 548 S HA -0.557 nan 4.470 nan 0.000 0.220 548 S C 2.174 176.684 174.600 -0.150 0.000 0.988 548 S CA 3.456 61.617 58.200 -0.065 0.000 1.627 548 S CB -2.039 61.110 63.200 -0.085 0.000 2.182 548 S HN 0.283 8.468 8.310 0.000 0.125 0.556 549 T N 4.588 118.894 114.554 -0.413 0.000 2.849 549 T HA -0.251 nan 4.350 nan 0.000 0.270 549 T C 0.482 174.830 174.700 -0.587 0.000 1.066 549 T CA 3.633 65.363 62.100 -0.618 0.000 1.130 549 T CB -0.235 68.012 68.868 -1.034 0.000 0.864 549 T HN 0.365 8.259 8.240 -0.487 0.054 0.481 550 F N -2.420 117.589 119.950 0.098 0.000 2.837 550 F HA 0.142 nan 4.527 nan 0.000 0.298 550 F C -0.054 175.874 175.800 0.214 0.000 1.161 550 F CA -2.414 55.691 58.000 0.175 0.000 1.353 550 F CB -1.154 37.986 39.000 0.234 0.000 0.951 550 F HN -0.566 7.490 8.300 -0.357 0.029 0.508 551 G N -2.451 106.540 108.800 0.318 0.000 2.304 551 G HA2 -0.418 nan 3.960 nan 0.000 0.252 551 G HA3 -0.418 nan 3.960 nan 0.000 0.252 551 G C -2.032 173.026 174.900 0.264 0.000 1.014 551 G CA 0.650 46.010 45.100 0.433 0.000 0.619 551 G HN -0.042 8.201 8.290 0.179 0.154 0.525 552 G N -2.339 106.609 108.800 0.247 0.000 2.335 552 G HA2 -0.123 nan 3.960 nan 0.000 0.291 552 G HA3 -0.123 nan 3.960 nan 0.000 0.291 552 G C -0.784 174.224 174.900 0.180 0.000 1.261 552 G CA -0.210 45.006 45.100 0.193 0.000 0.871 552 G HN -1.026 7.329 8.290 0.278 0.102 0.491 553 E N 0.316 120.603 120.200 0.146 0.000 2.170 553 E HA -0.067 nan 4.350 nan 0.000 0.191 553 E C 1.716 178.443 176.600 0.212 0.000 0.981 553 E CA 1.707 58.214 56.400 0.178 0.000 0.830 553 E CB 0.002 29.768 29.700 0.111 0.000 0.775 553 E HN 0.391 8.818 8.360 0.111 0.000 0.470 554 V N -0.194 119.815 119.914 0.157 0.000 2.214 554 V HA -0.388 nan 4.120 nan 0.000 0.244 554 V C 2.479 178.678 176.094 0.176 0.000 1.045 554 V CA 4.745 67.123 62.300 0.130 0.000 0.993 554 V CB -1.249 30.631 31.823 0.095 0.000 0.633 554 V HN 0.039 8.282 8.190 0.134 0.026 0.449 555 G N -1.072 107.866 108.800 0.230 0.000 2.505 555 G HA2 -0.354 nan 3.960 nan 0.000 0.220 555 G HA3 -0.354 nan 3.960 nan 0.000 0.220 555 G C 1.269 176.341 174.900 0.286 0.000 1.145 555 G CA 2.140 47.401 45.100 0.269 0.000 0.761 555 G HN 0.108 8.538 8.290 0.234 0.000 0.571 556 F N 2.707 122.749 119.950 0.155 0.000 2.161 556 F HA -0.224 nan 4.527 nan 0.000 0.300 556 F C 0.275 176.066 175.800 -0.015 0.000 1.089 556 F CA 1.551 59.582 58.000 0.051 0.000 1.282 556 F CB 0.338 39.369 39.000 0.053 0.000 1.010 556 F HN -0.878 7.696 8.300 0.476 0.012 0.485 557 K N -2.355 118.078 120.400 0.056 0.000 2.745 557 K HA 0.040 nan 4.320 nan 0.000 0.223 557 K C 0.436 177.032 176.600 -0.006 0.000 1.057 557 K CA -0.698 55.556 56.287 -0.055 0.000 1.217 557 K CB -2.044 30.456 32.500 -0.000 0.000 0.993 557 K HN 0.109 8.352 8.250 0.182 0.117 0.478 558 I N -0.481 120.097 120.570 0.012 0.000 3.673 558 I HA -0.120 nan 4.170 nan 0.000 0.281 558 I C 1.452 177.596 176.117 0.046 0.000 1.182 558 I CA 2.092 63.420 61.300 0.046 0.000 1.391 558 I CB 1.208 39.256 38.000 0.080 0.000 1.383 558 I HN -0.368 7.735 8.210 0.007 0.111 0.456 559 I N 1.464 122.048 120.570 0.023 0.000 2.127 559 I HA -0.527 nan 4.170 nan 0.000 0.241 559 I C 1.028 177.207 176.117 0.104 0.000 1.075 559 I CA 3.952 65.305 61.300 0.088 0.000 1.334 559 I CB -0.158 37.895 38.000 0.089 0.000 1.040 559 I HN -0.668 7.537 8.210 -0.009 0.000 0.405 560 N N -2.618 116.064 118.700 -0.030 0.000 2.441 560 N HA 0.031 nan 4.740 nan 0.000 0.225 560 N C -0.218 175.295 175.510 0.006 0.000 1.208 560 N CA 1.299 54.339 53.050 -0.017 0.000 0.847 560 N CB -0.816 37.571 38.487 -0.166 0.000 1.121 560 N HN -0.390 7.890 8.380 -0.166 0.000 0.479 561 T N -6.113 108.462 114.554 0.035 0.000 3.326 561 T HA 0.113 nan 4.350 nan 0.000 0.302 561 T C -0.992 173.738 174.700 0.049 0.000 0.908 561 T CA -0.922 61.199 62.100 0.034 0.000 0.933 561 T CB 1.116 69.997 68.868 0.022 0.000 1.194 561 T HN -0.496 7.677 8.240 0.051 0.099 0.585 562 A N 2.259 125.125 122.820 0.076 0.000 2.425 562 A HA 0.069 nan 4.320 nan 0.000 0.242 562 A C -1.579 176.042 177.584 0.062 0.000 1.077 562 A CA 0.665 52.752 52.037 0.084 0.000 0.781 562 A CB 0.538 19.617 19.000 0.131 0.000 1.020 562 A HN -0.405 7.703 8.150 0.093 0.099 0.494 563 S N -0.337 115.385 115.700 0.037 0.000 2.586 563 S HA 0.054 nan 4.470 nan 0.000 0.277 563 S C -0.395 174.173 174.600 -0.054 0.000 1.131 563 S CA -0.909 57.285 58.200 -0.010 0.000 0.848 563 S CB 2.198 65.381 63.200 -0.029 0.000 1.091 563 S HN -0.356 7.979 8.310 0.041 0.000 0.453 564 I N 3.391 123.876 120.570 -0.141 0.000 2.493 564 I HA -0.303 nan 4.170 nan 0.000 0.254 564 I C 0.528 176.514 176.117 -0.217 0.000 1.160 564 I CA 1.393 62.572 61.300 -0.202 0.000 1.445 564 I CB -0.431 37.245 38.000 -0.541 0.000 1.086 564 I HN 0.161 8.499 8.210 -0.172 -0.232 0.433 565 Q N -0.634 119.026 119.800 -0.233 0.000 2.061 565 Q HA -0.321 nan 4.340 nan 0.000 0.204 565 Q C 2.041 177.969 176.000 -0.120 0.000 0.984 565 Q CA 3.318 59.000 55.803 -0.202 0.000 0.846 565 Q CB -0.573 28.070 28.738 -0.158 0.000 0.902 565 Q HN 0.318 8.427 8.270 -0.233 0.021 0.421 566 S N 0.917 116.568 115.700 -0.081 0.000 2.371 566 S HA -0.298 nan 4.470 nan 0.000 0.224 566 S C 2.098 176.660 174.600 -0.064 0.000 1.029 566 S CA 2.894 61.064 58.200 -0.051 0.000 0.978 566 S CB 0.028 63.215 63.200 -0.021 0.000 0.833 566 S HN -0.361 7.827 8.310 -0.076 0.076 0.466 567 L N 2.121 123.295 121.223 -0.081 0.000 2.051 567 L HA -0.378 nan 4.340 nan 0.000 0.214 567 L C 1.783 178.572 176.870 -0.135 0.000 1.076 567 L CA 3.438 58.199 54.840 -0.130 0.000 0.758 567 L CB -0.124 41.822 42.059 -0.187 0.000 0.890 567 L HN 0.033 8.218 8.230 -0.074 0.000 0.433 568 I N -1.496 119.008 120.570 -0.111 0.000 2.296 568 I HA -0.373 nan 4.170 nan 0.000 0.242 568 I C 1.234 177.302 176.117 -0.080 0.000 1.087 568 I CA 4.111 65.352 61.300 -0.099 0.000 1.393 568 I CB 0.023 37.966 38.000 -0.096 0.000 1.093 568 I HN -0.509 7.630 8.210 -0.111 0.005 0.421 569 c N -0.682 117.877 118.600 -0.068 0.000 2.409 569 c HA -0.332 nan 4.570 nan 0.000 0.284 569 c C 1.862 175.928 174.090 -0.039 0.000 1.354 569 c CA 3.246 59.549 56.329 -0.044 0.000 1.787 569 c CB -1.651 40.841 42.510 -0.030 0.000 1.900 569 c HN -0.199 7.984 8.230 -0.078 0.000 0.520 570 N N -1.536 117.136 118.700 -0.046 0.000 2.402 570 N HA 0.082 nan 4.740 nan 0.000 0.174 570 N C 0.613 176.094 175.510 -0.048 0.000 1.027 570 N CA 2.194 55.222 53.050 -0.036 0.000 0.891 570 N CB 0.363 38.834 38.487 -0.026 0.000 1.016 570 N HN 0.241 8.540 8.380 -0.057 0.047 0.439 571 N N -2.643 116.014 118.700 -0.072 0.000 2.294 571 N HA 0.073 nan 4.740 nan 0.000 0.186 571 N C -0.516 174.931 175.510 -0.105 0.000 1.107 571 N CA 0.598 53.594 53.050 -0.090 0.000 0.884 571 N CB 2.802 41.221 38.487 -0.113 0.000 1.030 571 N HN -0.724 7.499 8.380 -0.080 0.108 0.482 572 V N -0.295 119.563 119.914 -0.092 0.000 2.394 572 V HA 0.138 nan 4.120 nan 0.000 0.282 572 V C 0.098 176.152 176.094 -0.067 0.000 1.031 572 V CA -1.624 60.621 62.300 -0.091 0.000 0.881 572 V CB -0.037 31.735 31.823 -0.085 0.000 0.982 572 V HN 0.236 8.285 8.190 -0.080 0.093 0.451 573 K N 7.286 127.644 120.400 -0.070 0.000 2.303 573 K HA -0.351 nan 4.320 nan 0.000 0.208 573 K C 0.132 176.714 176.600 -0.030 0.000 1.035 573 K CA 2.204 58.462 56.287 -0.050 0.000 0.934 573 K CB -0.188 32.288 32.500 -0.039 0.000 0.759 573 K HN 0.558 8.753 8.250 -0.091 0.000 0.490 574 G N -3.776 105.009 108.800 -0.024 0.000 2.992 574 G HA2 -0.074 nan 3.960 nan 0.000 0.201 574 G HA3 -0.074 nan 3.960 nan 0.000 0.201 574 G C -1.654 173.238 174.900 -0.013 0.000 2.057 574 G CA -0.324 44.770 45.100 -0.011 0.000 0.800 574 G HN -0.593 7.609 8.290 -0.030 0.071 0.700 575 c N 0.482 119.077 118.600 -0.007 0.000 2.158 575 c HA 0.068 nan 4.570 nan 0.000 0.324 575 c C -2.698 171.400 174.090 0.012 0.000 0.779 575 c CA -1.789 54.536 56.329 -0.006 0.000 0.553 575 c CB -1.023 41.487 42.510 0.000 0.000 1.373 575 c HN -0.055 8.175 8.230 -0.000 0.000 0.782 576 P HA 0.161 nan 4.420 nan 0.000 0.275 576 P C -1.754 175.571 177.300 0.042 0.000 1.228 576 P CA -0.426 62.698 63.100 0.039 0.000 0.786 576 P CB 0.824 32.533 31.700 0.016 0.000 0.927 577 F N 0.953 120.890 119.950 -0.022 0.000 2.459 577 F HA -0.041 nan 4.527 nan 0.000 0.346 577 F C -1.507 174.277 175.800 -0.027 0.000 1.128 577 F CA 0.306 58.290 58.000 -0.027 0.000 1.268 577 F CB 1.581 40.568 39.000 -0.022 0.000 1.161 577 F HN -0.189 8.267 8.300 0.260 0.000 0.583 578 T N 5.200 119.001 114.554 -1.254 0.000 2.792 578 T HA 0.318 nan 4.350 nan 0.000 0.303 578 T C -2.062 171.988 174.700 -1.085 0.000 1.310 578 T CA -1.046 60.486 62.100 -0.947 0.000 1.007 578 T CB 2.625 71.240 68.868 -0.422 0.000 1.335 578 T HN -0.054 7.624 8.240 -1.256 -0.191 0.504 579 S N -1.293 114.030 115.700 -0.628 0.000 2.669 579 S HA 0.222 nan 4.470 nan 0.000 0.266 579 S C -1.768 172.652 174.600 -0.302 0.000 1.149 579 S CA -0.546 57.358 58.200 -0.494 0.000 0.842 579 S CB 1.092 64.142 63.200 -0.250 0.000 1.160 579 S HN -0.271 7.793 8.310 -0.410 0.000 0.487 580 F N -1.730 118.166 119.950 -0.091 0.000 2.639 580 F HA 0.164 nan 4.527 nan 0.000 0.302 580 F C -1.072 174.481 175.800 -0.412 0.000 1.097 580 F CA -0.876 57.031 58.000 -0.154 0.000 1.294 580 F CB 0.983 39.918 39.000 -0.109 0.000 1.027 580 F HN 0.066 8.291 8.300 -0.125 0.000 0.550 581 N N -0.569 118.147 118.700 0.027 0.000 2.240 581 N HA 0.184 nan 4.740 nan 0.000 0.302 581 N C -0.311 175.260 175.510 0.101 0.000 1.106 581 N CA -0.942 52.168 53.050 0.099 0.000 0.778 581 N CB 2.901 41.511 38.487 0.205 0.000 1.431 581 N HN -0.586 7.737 8.380 0.045 0.084 0.479 582 V N 5.349 125.310 119.914 0.078 0.000 3.366 582 V HA -0.167 nan 4.120 nan 0.000 0.325 582 V C -0.997 175.154 176.094 0.095 0.000 1.168 582 V CA 0.054 62.400 62.300 0.077 0.000 1.348 582 V CB -1.937 29.906 31.823 0.034 0.000 1.069 582 V HN 0.494 8.621 8.190 0.061 0.100 0.416 583 Q N 0.000 119.894 119.800 0.157 0.000 2.315 583 Q HA 0.000 nan 4.340 nan 0.000 0.214 583 Q CA 0.000 55.883 55.803 0.134 0.000 1.022 583 Q CB 0.000 28.798 28.738 0.100 0.000 1.108 583 Q HN 0.000 8.279 8.270 0.193 0.107 0.481