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 2zep_1_B DATA FIRST_RESID 33 DATA SEQUENCE ASAWPEEKNY HQPAILNSSA LRQIAEGTSI SEMWQNDLQP LLIERYPGSP DATA SEQUENCE GSYAARQHIM QRIQRLQADW VLEIDTFLSQ TPYGYRSFSN IISTLNPTAK DATA SEQUENCE RHLVLACHYD SKYFSHWNNR VFVGATDSAV PCAMMLELAR ALDKKLLSLK DATA SEQUENCE XXXXXXPDLS LQLIFFDGEE AFLHWSPQDS LYGSRHLAAK MASTPHPPGA DATA SEQUENCE RGTSQLHGMD LLVLLDLIGA PNPTFPNFFP NSARWFERLQ AIEHELHELG DATA SEQUENCE LLKDHSLEGR YFQNYSYXXX IQDDHIPFLR RGVPVLLLIP SPFPEVWHTM DATA SEQUENCE DDNEENLDES TIDNLNKILQ VFVLEYLHL 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 0.000 177.553 177.584 -0.052 0.000 1.274 33 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 33 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 34 S N 1.258 116.903 115.700 -0.091 0.000 2.548 34 S HA 0.476 4.946 4.470 0.001 0.000 0.277 34 S C 1.508 175.997 174.600 -0.185 0.000 1.315 34 S CA 0.156 58.304 58.200 -0.087 0.000 1.050 34 S CB 1.622 64.763 63.200 -0.098 0.000 0.918 34 S HN 1.566 nan 8.310 nan 0.000 0.497 35 A N 4.159 126.952 122.820 -0.045 0.000 1.975 35 A HA 0.016 4.336 4.320 0.001 0.000 0.215 35 A C 1.886 179.471 177.584 0.003 0.000 1.170 35 A CA 0.445 52.472 52.037 -0.016 0.000 0.656 35 A CB -0.642 18.402 19.000 0.075 0.000 0.821 35 A HN 1.051 nan 8.150 nan 0.000 0.449 36 W N 0.572 121.898 121.300 0.043 0.000 2.303 36 W HA -0.153 4.507 4.660 0.000 0.000 0.287 36 W C -1.699 174.846 176.519 0.042 0.000 1.213 36 W CA 1.488 58.861 57.345 0.047 0.000 1.203 36 W CB -2.165 27.317 29.460 0.036 0.000 1.136 36 W HN 0.292 nan 8.180 nan 0.000 0.547 37 P HA -0.092 nan 4.420 nan 0.000 0.237 37 P C 0.858 178.085 177.300 -0.122 0.000 1.178 37 P CA 1.916 64.798 63.100 -0.364 0.000 0.766 37 P CB -0.219 31.026 31.700 -0.758 0.000 0.876 38 E N -0.407 119.740 120.200 -0.089 0.000 2.340 38 E HA -0.042 4.308 4.350 0.001 0.000 0.194 38 E C 1.525 178.001 176.600 -0.205 0.000 0.996 38 E CA 0.209 56.528 56.400 -0.135 0.000 0.869 38 E CB -0.301 29.354 29.700 -0.074 0.000 0.835 38 E HN 0.346 nan 8.360 nan 0.000 0.493 39 E N 2.038 122.251 120.200 0.021 0.000 2.147 39 E HA -0.274 4.076 4.350 0.001 0.000 0.199 39 E C 1.980 178.608 176.600 0.047 0.000 1.005 39 E CA 1.721 58.184 56.400 0.105 0.000 0.810 39 E CB -0.224 29.609 29.700 0.222 0.000 0.736 39 E HN 0.293 nan 8.360 nan 0.000 0.460 40 K N 0.773 121.208 120.400 0.057 0.000 2.113 40 K HA -0.219 4.101 4.320 0.001 0.000 0.208 40 K C 1.464 178.132 176.600 0.113 0.000 1.047 40 K CA 2.058 58.425 56.287 0.134 0.000 0.928 40 K CB -0.392 32.189 32.500 0.136 0.000 0.716 40 K HN 0.051 nan 8.250 nan 0.000 0.446 41 N N -0.145 118.474 118.700 -0.135 0.000 2.289 41 N HA -0.128 4.612 4.740 0.001 0.000 0.184 41 N C 0.717 176.151 175.510 -0.128 0.000 1.016 41 N CA 1.284 54.216 53.050 -0.196 0.000 0.872 41 N CB -0.085 38.155 38.487 -0.412 0.000 0.973 41 N HN 0.357 nan 8.380 nan 0.000 0.433 42 Y N -1.076 119.316 120.300 0.153 0.000 2.442 42 Y HA 0.196 4.747 4.550 0.001 0.000 0.250 42 Y C 0.694 176.666 175.900 0.120 0.000 1.113 42 Y CA -0.627 57.536 58.100 0.106 0.000 1.273 42 Y CB -0.764 37.744 38.460 0.080 0.000 1.138 42 Y HN 0.133 nan 8.280 nan 0.000 0.522 43 H N 2.878 122.073 119.070 0.209 0.000 3.034 43 H HA 0.071 4.627 4.556 0.001 0.000 0.324 43 H C -0.393 175.045 175.328 0.183 0.000 1.015 43 H CA 0.787 56.925 56.048 0.150 0.000 1.429 43 H CB 0.689 30.491 29.762 0.067 0.000 1.429 43 H HN 0.202 nan 8.280 nan 0.000 0.585 44 Q N 5.430 124.979 119.800 -0.419 0.000 2.394 44 Q HA 0.356 4.697 4.340 0.001 0.000 0.273 44 Q C -2.423 173.457 176.000 -0.200 0.000 1.089 44 Q CA -1.928 53.749 55.803 -0.210 0.000 0.812 44 Q CB 2.542 31.206 28.738 -0.124 0.000 1.353 44 Q HN 0.610 nan 8.270 nan 0.000 0.438 45 P HA 0.264 nan 4.420 nan 0.000 0.276 45 P C -1.212 175.988 177.300 -0.167 0.000 1.252 45 P CA -0.399 62.711 63.100 0.016 0.000 0.802 45 P CB 0.807 32.561 31.700 0.090 0.000 1.035 46 A N 3.296 125.946 122.820 -0.283 0.000 2.511 46 A HA 0.415 4.735 4.320 0.001 0.000 0.340 46 A C 0.562 178.045 177.584 -0.168 0.000 1.396 46 A CA -0.790 51.010 52.037 -0.395 0.000 0.887 46 A CB -0.861 17.756 19.000 -0.638 0.000 1.145 46 A HN 0.439 nan 8.150 nan 0.000 0.497 47 I N 2.535 123.035 120.570 -0.116 0.000 2.775 47 I HA -0.050 4.120 4.170 0.001 0.000 0.290 47 I C 0.144 176.235 176.117 -0.045 0.000 1.203 47 I CA 0.528 61.793 61.300 -0.058 0.000 1.433 47 I CB 0.470 38.442 38.000 -0.046 0.000 1.354 47 I HN 0.454 nan 8.210 nan 0.000 0.579 48 L N 6.188 127.400 121.223 -0.017 0.000 2.375 48 L HA 0.239 4.580 4.340 0.001 0.000 0.271 48 L C 0.314 177.184 176.870 -0.000 0.000 1.107 48 L CA -0.750 54.086 54.840 -0.007 0.000 0.806 48 L CB 0.820 42.885 42.059 0.011 0.000 1.146 48 L HN 0.694 nan 8.230 nan 0.000 0.447 49 N N 0.141 118.840 118.700 -0.001 0.000 2.418 49 N HA 0.123 4.864 4.740 0.001 0.000 0.283 49 N C 0.600 176.117 175.510 0.012 0.000 1.267 49 N CA -0.588 52.464 53.050 0.003 0.000 0.975 49 N CB 0.337 38.824 38.487 -0.001 0.000 1.167 49 N HN 0.432 nan 8.380 nan 0.000 0.581 50 S N -0.732 114.976 115.700 0.014 0.000 2.359 50 S HA -0.204 4.266 4.470 0.001 0.000 0.224 50 S C 1.806 176.414 174.600 0.015 0.000 1.035 50 S CA 1.430 59.640 58.200 0.017 0.000 1.018 50 S CB -0.683 62.526 63.200 0.016 0.000 0.876 50 S HN 0.670 nan 8.310 nan 0.000 0.448 51 S N 1.254 116.961 115.700 0.011 0.000 2.359 51 S HA -0.134 4.336 4.470 0.001 0.000 0.224 51 S C 2.089 176.697 174.600 0.013 0.000 1.035 51 S CA 1.351 59.557 58.200 0.010 0.000 1.018 51 S CB -0.539 62.665 63.200 0.007 0.000 0.876 51 S HN 0.544 nan 8.310 nan 0.000 0.448 52 A N 1.471 124.298 122.820 0.012 0.000 1.877 52 A HA 0.023 4.344 4.320 0.001 0.000 0.216 52 A C 2.228 179.826 177.584 0.023 0.000 1.186 52 A CA 1.543 53.589 52.037 0.016 0.000 0.620 52 A CB -0.924 18.084 19.000 0.012 0.000 0.822 52 A HN 0.570 nan 8.150 nan 0.000 0.443 53 L N -1.042 120.196 121.223 0.024 0.000 2.013 53 L HA -0.257 4.083 4.340 0.001 0.000 0.212 53 L C 2.900 179.787 176.870 0.028 0.000 1.073 53 L CA 1.876 56.734 54.840 0.031 0.000 0.753 53 L CB -0.560 41.518 42.059 0.033 0.000 0.890 53 L HN 0.369 nan 8.230 nan 0.000 0.432 54 R N -0.545 119.968 120.500 0.022 0.000 2.105 54 R HA -0.213 4.127 4.340 0.001 0.000 0.239 54 R C 2.327 178.640 176.300 0.022 0.000 1.135 54 R CA 1.370 57.481 56.100 0.019 0.000 0.967 54 R CB -0.349 29.959 30.300 0.014 0.000 0.861 54 R HN 0.452 nan 8.270 nan 0.000 0.442 55 Q N 0.523 120.336 119.800 0.022 0.000 2.124 55 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 55 Q C 1.886 177.904 176.000 0.031 0.000 0.977 55 Q CA 1.174 56.991 55.803 0.024 0.000 0.850 55 Q CB 0.192 28.943 28.738 0.022 0.000 0.901 55 Q HN 0.236 nan 8.270 nan 0.000 0.429 56 I N 0.680 121.271 120.570 0.035 0.000 2.163 56 I HA -0.182 3.988 4.170 0.001 0.000 0.240 56 I C 2.471 178.615 176.117 0.046 0.000 1.081 56 I CA 1.302 62.629 61.300 0.044 0.000 1.353 56 I CB -1.804 36.227 38.000 0.051 0.000 1.054 56 I HN 0.167 nan 8.210 nan 0.000 0.407 57 A N 0.514 123.359 122.820 0.041 0.000 1.986 57 A HA -0.193 4.127 4.320 0.001 0.000 0.220 57 A C 2.026 179.632 177.584 0.037 0.000 1.171 57 A CA 1.602 53.662 52.037 0.040 0.000 0.640 57 A CB -0.413 18.605 19.000 0.030 0.000 0.811 57 A HN 0.433 nan 8.150 nan 0.000 0.451 58 E N -0.776 119.443 120.200 0.032 0.000 2.385 58 E HA 0.011 4.361 4.350 0.001 0.000 0.194 58 E C 1.916 178.537 176.600 0.033 0.000 1.013 58 E CA 0.817 57.235 56.400 0.029 0.000 0.866 58 E CB -0.610 29.103 29.700 0.023 0.000 0.832 58 E HN 0.565 nan 8.360 nan 0.000 0.500 59 G N 0.634 109.457 108.800 0.038 0.000 2.712 59 G HA2 -0.091 3.869 3.960 0.001 0.000 0.212 59 G HA3 -0.091 3.869 3.960 0.001 0.000 0.212 59 G C 0.755 175.684 174.900 0.048 0.000 1.142 59 G CA 0.480 45.605 45.100 0.041 0.000 0.789 59 G HN 0.186 nan 8.290 nan 0.000 0.535 60 T N -0.451 114.134 114.554 0.052 0.000 2.824 60 T HA 0.524 4.875 4.350 0.001 0.000 0.280 60 T C -0.543 174.194 174.700 0.061 0.000 0.995 60 T CA -0.417 61.719 62.100 0.060 0.000 1.009 60 T CB 1.480 70.389 68.868 0.068 0.000 0.955 60 T HN -0.005 nan 8.240 nan 0.000 0.452 61 S N 4.721 120.460 115.700 0.066 0.000 2.594 61 S HA 0.304 4.774 4.470 0.001 0.000 0.322 61 S C 1.103 175.760 174.600 0.096 0.000 1.085 61 S CA -0.855 57.386 58.200 0.069 0.000 1.116 61 S CB 0.383 63.618 63.200 0.058 0.000 0.979 61 S HN 0.715 nan 8.310 nan 0.000 0.465 62 I N 5.755 126.389 120.570 0.107 0.000 2.335 62 I HA -0.106 4.064 4.170 0.001 0.000 0.251 62 I C 2.278 178.520 176.117 0.207 0.000 1.129 62 I CA 2.315 63.716 61.300 0.168 0.000 1.402 62 I CB -0.353 37.743 38.000 0.160 0.000 1.069 62 I HN 0.814 nan 8.210 nan 0.000 0.424 63 S N -0.790 114.980 115.700 0.118 0.000 2.414 63 S HA -0.051 4.419 4.470 0.001 0.000 0.227 63 S C 1.868 176.555 174.600 0.145 0.000 1.022 63 S CA 0.517 58.779 58.200 0.104 0.000 0.958 63 S CB -0.472 62.739 63.200 0.018 0.000 0.797 63 S HN 0.451 nan 8.310 nan 0.000 0.493 64 E N 1.279 121.547 120.200 0.113 0.000 2.107 64 E HA -0.030 4.320 4.350 0.001 0.000 0.191 64 E C 1.945 178.621 176.600 0.126 0.000 0.982 64 E CA 0.899 57.359 56.400 0.101 0.000 0.809 64 E CB -0.431 29.311 29.700 0.071 0.000 0.756 64 E HN 0.624 nan 8.360 nan 0.000 0.459 65 M N -0.323 119.363 119.600 0.143 0.000 2.086 65 M HA -0.176 4.305 4.480 0.001 0.000 0.261 65 M C 2.156 178.550 176.300 0.158 0.000 1.067 65 M CA 1.518 56.894 55.300 0.127 0.000 1.116 65 M CB -0.273 32.401 32.600 0.123 0.000 1.348 65 M HN 0.197 nan 8.290 nan 0.000 0.407 66 W N 1.206 122.519 121.300 0.022 0.000 2.317 66 W HA -0.301 4.359 4.660 0.001 0.000 0.318 66 W C 2.399 178.923 176.519 0.008 0.000 1.227 66 W CA 2.405 59.759 57.345 0.015 0.000 1.269 66 W CB -0.818 28.649 29.460 0.013 0.000 1.155 66 W HN 0.499 nan 8.180 nan 0.000 0.484 67 Q N -0.221 119.755 119.800 0.294 0.000 2.083 67 Q HA -0.159 4.182 4.340 0.001 0.000 0.198 67 Q C 1.579 177.634 176.000 0.090 0.000 0.969 67 Q CA 1.570 57.475 55.803 0.171 0.000 0.838 67 Q CB -0.309 28.507 28.738 0.130 0.000 0.900 67 Q HN 0.141 nan 8.270 nan 0.000 0.436 68 N N 0.014 118.768 118.700 0.091 0.000 2.409 68 N HA -0.016 4.724 4.740 0.001 0.000 0.174 68 N C 0.467 176.061 175.510 0.140 0.000 1.037 68 N CA 0.798 53.900 53.050 0.086 0.000 0.898 68 N CB 0.379 38.907 38.487 0.069 0.000 1.010 68 N HN 0.284 nan 8.380 nan 0.000 0.445 69 D N -0.088 120.374 120.400 0.103 0.000 2.597 69 D HA 0.060 4.701 4.640 0.001 0.000 0.261 69 D C 1.847 178.189 176.300 0.069 0.000 1.023 69 D CA -0.080 54.007 54.000 0.145 0.000 0.927 69 D CB 0.287 41.118 40.800 0.052 0.000 1.168 69 D HN -0.001 nan 8.370 nan 0.000 0.491 70 L N 1.453 122.632 121.223 -0.073 0.000 2.022 70 L HA -0.029 4.311 4.340 0.001 0.000 0.204 70 L C 2.205 178.936 176.870 -0.231 0.000 1.076 70 L CA 1.782 56.491 54.840 -0.218 0.000 0.749 70 L CB -0.686 41.083 42.059 -0.484 0.000 0.903 70 L HN -0.105 nan 8.230 nan 0.000 0.439 71 Q N -0.249 119.433 119.800 -0.196 0.000 2.112 71 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 71 Q C -0.446 175.446 176.000 -0.181 0.000 0.987 71 Q CA 2.363 58.080 55.803 -0.144 0.000 0.858 71 Q CB -1.266 27.452 28.738 -0.033 0.000 0.905 71 Q HN 0.471 nan 8.270 nan 0.000 0.420 72 P HA -0.112 nan 4.420 nan 0.000 0.228 72 P C 0.630 177.707 177.300 -0.372 0.000 1.151 72 P CA 1.064 63.930 63.100 -0.389 0.000 0.770 72 P CB 0.076 31.342 31.700 -0.723 0.000 0.786 73 L N -1.927 119.115 121.223 -0.302 0.000 2.585 73 L HA 0.101 4.441 4.340 0.001 0.000 0.226 73 L C 0.980 177.776 176.870 -0.122 0.000 1.113 73 L CA 0.054 54.790 54.840 -0.174 0.000 0.876 73 L CB -0.243 41.755 42.059 -0.101 0.000 1.072 73 L HN -0.078 nan 8.230 nan 0.000 0.468 74 L N 3.162 124.301 121.223 -0.139 0.000 2.533 74 L HA 0.239 4.580 4.340 0.001 0.000 0.239 74 L C -0.048 176.769 176.870 -0.088 0.000 1.376 74 L CA 0.117 54.885 54.840 -0.119 0.000 1.240 74 L CB -0.728 41.257 42.059 -0.123 0.000 1.487 74 L HN 0.217 nan 8.230 nan 0.000 0.419 75 I N -3.336 117.195 120.570 -0.067 0.000 3.074 75 I HA 0.451 4.621 4.170 0.001 0.000 0.310 75 I C -0.251 175.872 176.117 0.011 0.000 1.153 75 I CA -1.087 60.193 61.300 -0.032 0.000 0.993 75 I CB 2.031 40.008 38.000 -0.037 0.000 1.237 75 I HN 0.031 nan 8.210 nan 0.000 0.443 76 E N 3.759 123.992 120.200 0.055 0.000 2.328 76 E HA 0.132 4.483 4.350 0.001 0.000 0.265 76 E C -0.313 176.334 176.600 0.078 0.000 1.057 76 E CA -0.297 56.192 56.400 0.147 0.000 0.916 76 E CB 0.510 30.349 29.700 0.232 0.000 0.993 76 E HN 0.713 nan 8.360 nan 0.000 0.446 77 R N 4.207 124.762 120.500 0.092 0.000 2.711 77 R HA 0.117 4.458 4.340 0.001 0.000 0.350 77 R C -0.870 175.416 176.300 -0.024 0.000 1.146 77 R CA -0.692 55.401 56.100 -0.011 0.000 1.190 77 R CB -0.434 29.890 30.300 0.039 0.000 1.312 77 R HN 0.411 nan 8.270 nan 0.000 0.635 78 Y N -0.530 119.805 120.300 0.059 0.000 2.385 78 Y HA 0.500 5.050 4.550 0.000 0.000 0.346 78 Y C -2.254 173.604 175.900 -0.071 0.000 1.270 78 Y CA -2.981 55.104 58.100 -0.026 0.000 1.472 78 Y CB -0.359 38.090 38.460 -0.018 0.000 1.354 78 Y HN -0.005 nan 8.280 nan 0.000 0.611 79 P HA 0.082 nan 4.420 nan 0.000 0.262 79 P C 0.738 177.984 177.300 -0.090 0.000 1.182 79 P CA 2.177 65.236 63.100 -0.069 0.000 0.761 79 P CB 0.538 32.150 31.700 -0.146 0.000 0.795 80 G N 1.889 110.563 108.800 -0.210 0.000 2.199 80 G HA2 -0.252 3.709 3.960 0.001 0.000 0.254 80 G HA3 -0.252 3.709 3.960 0.001 0.000 0.254 80 G C 0.420 175.177 174.900 -0.239 0.000 0.982 80 G CA 0.326 45.300 45.100 -0.210 0.000 0.632 80 G HN 0.800 nan 8.290 nan 0.000 0.529 81 S N 0.194 115.638 115.700 -0.426 0.000 2.632 81 S HA 0.647 5.118 4.470 0.001 0.000 0.267 81 S C -0.856 173.614 174.600 -0.217 0.000 1.276 81 S CA -0.510 57.404 58.200 -0.476 0.000 0.998 81 S CB 2.155 64.766 63.200 -0.982 0.000 0.953 81 S HN -0.024 nan 8.310 nan 0.000 0.547 82 P HA 0.056 nan 4.420 nan 0.000 0.218 82 P C 1.678 178.985 177.300 0.011 0.000 1.149 82 P CA 1.394 64.481 63.100 -0.021 0.000 0.817 82 P CB -0.424 31.268 31.700 -0.014 0.000 0.785 83 G N -0.656 108.113 108.800 -0.052 0.000 2.422 83 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 83 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 83 G C 1.830 176.736 174.900 0.011 0.000 1.146 83 G CA 1.052 46.136 45.100 -0.026 0.000 0.769 83 G HN 0.303 nan 8.290 nan 0.000 0.547 84 S N -0.751 114.944 115.700 -0.009 0.000 2.356 84 S HA -0.170 4.300 4.470 0.001 0.000 0.223 84 S C 2.131 176.847 174.600 0.194 0.000 1.032 84 S CA 1.455 59.708 58.200 0.089 0.000 1.005 84 S CB -0.475 62.714 63.200 -0.017 0.000 0.867 84 S HN 0.454 nan 8.310 nan 0.000 0.449 85 Y N 2.139 122.443 120.300 0.006 0.000 2.181 85 Y HA 0.027 4.577 4.550 0.001 0.000 0.288 85 Y C 2.440 178.336 175.900 -0.007 0.000 1.146 85 Y CA 1.089 59.189 58.100 0.000 0.000 1.164 85 Y CB -1.034 37.406 38.460 -0.033 0.000 0.982 85 Y HN 0.324 nan 8.280 nan 0.000 0.515 86 A N 0.216 123.014 122.820 -0.037 0.000 1.902 86 A HA -0.080 4.241 4.320 0.001 0.000 0.217 86 A C 2.452 179.968 177.584 -0.113 0.000 1.181 86 A CA 1.909 53.877 52.037 -0.113 0.000 0.623 86 A CB -1.449 17.527 19.000 -0.040 0.000 0.818 86 A HN 0.553 nan 8.150 nan 0.000 0.443 87 A N -0.244 122.554 122.820 -0.038 0.000 1.898 87 A HA -0.149 4.172 4.320 0.001 0.000 0.216 87 A C 2.233 179.717 177.584 -0.166 0.000 1.181 87 A CA 1.795 53.822 52.037 -0.017 0.000 0.620 87 A CB -0.504 18.578 19.000 0.136 0.000 0.819 87 A HN 0.567 nan 8.150 nan 0.000 0.442 88 R N -0.378 119.993 120.500 -0.216 0.000 2.083 88 R HA -0.201 4.139 4.340 0.001 0.000 0.237 88 R C 2.376 178.444 176.300 -0.387 0.000 1.137 88 R CA 2.021 57.871 56.100 -0.417 0.000 0.951 88 R CB -0.385 29.780 30.300 -0.226 0.000 0.851 88 R HN 0.677 nan 8.270 nan 0.000 0.434 89 Q N -0.850 118.718 119.800 -0.388 0.000 2.096 89 Q HA -0.255 4.085 4.340 0.001 0.000 0.204 89 Q C 2.166 178.018 176.000 -0.246 0.000 0.982 89 Q CA 1.808 57.400 55.803 -0.352 0.000 0.850 89 Q CB -0.375 28.122 28.738 -0.402 0.000 0.901 89 Q HN 0.601 nan 8.270 nan 0.000 0.422 90 H N 0.699 119.594 119.070 -0.291 0.000 2.290 90 H HA -0.138 4.419 4.556 0.001 0.000 0.298 90 H C 2.027 177.172 175.328 -0.305 0.000 1.087 90 H CA 1.620 57.517 56.048 -0.251 0.000 1.291 90 H CB -0.022 29.611 29.762 -0.215 0.000 1.369 90 H HN 0.212 nan 8.280 nan 0.000 0.492 91 I N 0.538 120.767 120.570 -0.567 0.000 2.226 91 I HA -0.328 3.842 4.170 0.001 0.000 0.245 91 I C 2.869 178.623 176.117 -0.605 0.000 1.100 91 I CA 1.209 62.055 61.300 -0.756 0.000 1.374 91 I CB -0.195 37.197 38.000 -1.014 0.000 1.057 91 I HN 0.320 nan 8.210 nan 0.000 0.413 92 M N -0.306 119.015 119.600 -0.465 0.000 2.086 92 M HA -0.250 4.230 4.480 0.001 0.000 0.261 92 M C 2.379 178.515 176.300 -0.273 0.000 1.067 92 M CA 1.894 56.996 55.300 -0.330 0.000 1.116 92 M CB -0.434 32.014 32.600 -0.253 0.000 1.348 92 M HN 0.210 nan 8.290 nan 0.000 0.407 93 Q N -0.337 119.306 119.800 -0.261 0.000 2.124 93 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 93 Q C 2.088 177.960 176.000 -0.214 0.000 0.977 93 Q CA 0.933 56.618 55.803 -0.196 0.000 0.850 93 Q CB -0.157 28.489 28.738 -0.153 0.000 0.901 93 Q HN 0.371 nan 8.270 nan 0.000 0.429 94 R N 0.302 120.608 120.500 -0.323 0.000 2.189 94 R HA 0.000 4.341 4.340 0.001 0.000 0.223 94 R C 1.951 178.100 176.300 -0.252 0.000 1.092 94 R CA 0.875 56.798 56.100 -0.295 0.000 0.989 94 R CB -0.186 29.858 30.300 -0.426 0.000 0.876 94 R HN 0.388 nan 8.270 nan 0.000 0.457 95 I N 0.403 120.794 120.570 -0.297 0.000 2.429 95 I HA -0.174 3.996 4.170 0.001 0.000 0.247 95 I C 2.175 178.201 176.117 -0.152 0.000 1.099 95 I CA 0.706 61.815 61.300 -0.320 0.000 1.422 95 I CB -0.222 37.513 38.000 -0.442 0.000 1.112 95 I HN 0.095 nan 8.210 nan 0.000 0.430 96 Q N 0.995 120.725 119.800 -0.118 0.000 2.181 96 Q HA -0.228 4.112 4.340 0.001 0.000 0.205 96 Q C 2.052 178.044 176.000 -0.012 0.000 0.980 96 Q CA 1.528 57.308 55.803 -0.039 0.000 0.862 96 Q CB -0.267 28.439 28.738 -0.054 0.000 0.905 96 Q HN 0.548 nan 8.270 nan 0.000 0.429 97 R N 0.171 120.648 120.500 -0.038 0.000 2.316 97 R HA 0.031 4.372 4.340 0.001 0.000 0.202 97 R C 0.397 176.707 176.300 0.016 0.000 1.029 97 R CA 0.141 56.231 56.100 -0.016 0.000 1.018 97 R CB -0.309 29.971 30.300 -0.033 0.000 0.888 97 R HN 0.099 nan 8.270 nan 0.000 0.471 98 L N 1.189 122.437 121.223 0.042 0.000 2.456 98 L HA 0.119 4.459 4.340 0.001 0.000 0.257 98 L C 1.490 178.432 176.870 0.119 0.000 1.162 98 L CA -0.457 54.442 54.840 0.098 0.000 0.808 98 L CB 0.930 43.090 42.059 0.168 0.000 1.136 98 L HN 0.118 nan 8.230 nan 0.000 0.466 99 Q N 0.959 120.825 119.800 0.109 0.000 2.204 99 Q HA 0.105 4.445 4.340 0.001 0.000 0.198 99 Q C 0.632 176.672 176.000 0.068 0.000 0.946 99 Q CA 0.363 56.211 55.803 0.074 0.000 0.859 99 Q CB 0.130 28.896 28.738 0.048 0.000 0.946 99 Q HN 0.771 nan 8.270 nan 0.000 0.474 100 A N 1.993 124.861 122.820 0.081 0.000 2.547 100 A HA -0.093 4.227 4.320 0.001 0.000 0.233 100 A C 0.052 177.600 177.584 -0.060 0.000 1.067 100 A CA 0.100 52.106 52.037 -0.052 0.000 0.763 100 A CB 0.079 18.975 19.000 -0.174 0.000 1.007 100 A HN 0.122 nan 8.150 nan 0.000 0.506 101 D N 1.489 121.792 120.400 -0.161 0.000 2.982 101 D HA 0.154 4.794 4.640 0.001 0.000 0.238 101 D C -0.525 175.729 176.300 -0.076 0.000 1.168 101 D CA -0.094 53.854 54.000 -0.086 0.000 0.947 101 D CB -0.588 40.160 40.800 -0.086 0.000 1.147 101 D HN 0.422 nan 8.370 nan 0.000 0.450 102 W N 0.544 121.843 121.300 -0.002 0.000 2.223 102 W HA 0.206 4.866 4.660 0.000 0.000 0.334 102 W C 0.168 176.682 176.519 -0.009 0.000 1.334 102 W CA -0.627 56.715 57.345 -0.004 0.000 1.246 102 W CB 0.724 30.179 29.460 -0.008 0.000 1.184 102 W HN -0.147 nan 8.180 nan 0.000 0.563 103 V N 5.900 125.969 119.914 0.257 0.000 2.378 103 V HA 0.309 4.430 4.120 0.001 0.000 0.288 103 V C -0.087 176.086 176.094 0.131 0.000 1.016 103 V CA -1.014 61.370 62.300 0.141 0.000 0.840 103 V CB 0.854 32.725 31.823 0.081 0.000 0.994 103 V HN 0.316 nan 8.190 nan 0.000 0.431 104 L N 4.769 126.043 121.223 0.086 0.000 2.276 104 L HA 0.569 4.910 4.340 0.001 0.000 0.286 104 L C 0.216 177.109 176.870 0.038 0.000 1.061 104 L CA 0.039 54.908 54.840 0.048 0.000 0.807 104 L CB 1.247 43.308 42.059 0.003 0.000 1.177 104 L HN 0.666 nan 8.230 nan 0.000 0.429 105 E N 4.098 124.323 120.200 0.041 0.000 2.210 105 E HA 0.375 4.725 4.350 0.001 0.000 0.266 105 E C -1.262 175.376 176.600 0.064 0.000 0.883 105 E CA -0.844 55.587 56.400 0.051 0.000 0.761 105 E CB 1.689 31.422 29.700 0.054 0.000 1.156 105 E HN 0.337 nan 8.360 nan 0.000 0.412 106 I N 4.195 124.810 120.570 0.074 0.000 2.306 106 I HA 0.127 4.297 4.170 0.001 0.000 0.288 106 I C -0.227 175.980 176.117 0.150 0.000 1.036 106 I CA -0.742 60.618 61.300 0.100 0.000 1.221 106 I CB 0.714 38.762 38.000 0.080 0.000 1.385 106 I HN 0.550 nan 8.210 nan 0.000 0.472 107 D N 5.501 126.028 120.400 0.211 0.000 2.468 107 D HA 0.166 4.806 4.640 0.001 0.000 0.218 107 D C -0.381 176.143 176.300 0.372 0.000 1.155 107 D CA 0.019 54.195 54.000 0.293 0.000 0.924 107 D CB 0.568 41.565 40.800 0.329 0.000 1.029 107 D HN 0.352 nan 8.370 nan 0.000 0.515 108 T N 4.458 119.176 114.554 0.273 0.000 2.767 108 T HA 0.533 4.883 4.350 0.001 0.000 0.288 108 T C -0.359 174.459 174.700 0.197 0.000 0.963 108 T CA -0.434 61.781 62.100 0.191 0.000 1.019 108 T CB 0.180 69.109 68.868 0.101 0.000 0.923 108 T HN 0.341 nan 8.240 nan 0.000 0.468 109 F N 1.792 121.728 119.950 -0.024 0.000 2.685 109 F HA 0.858 5.385 4.527 0.000 0.000 0.315 109 F C -1.962 173.868 175.800 0.051 0.000 1.126 109 F CA -1.881 56.059 58.000 -0.101 0.000 0.950 109 F CB 0.909 39.566 39.000 -0.570 0.000 1.360 109 F HN 0.335 nan 8.300 nan 0.000 0.469 110 L N 1.860 123.155 121.223 0.121 0.000 2.329 110 L HA 0.807 5.147 4.340 0.001 0.000 0.279 110 L C -0.499 176.568 176.870 0.329 0.000 1.014 110 L CA -0.052 54.860 54.840 0.120 0.000 0.814 110 L CB 1.686 43.769 42.059 0.039 0.000 1.257 110 L HN 0.941 nan 8.230 nan 0.000 0.424 111 S N 2.928 118.870 115.700 0.404 0.000 2.556 111 S HA 0.484 4.954 4.470 0.001 0.000 0.271 111 S C -1.176 173.663 174.600 0.398 0.000 1.135 111 S CA -0.643 57.828 58.200 0.451 0.000 0.858 111 S CB 1.513 64.994 63.200 0.468 0.000 1.114 111 S HN 0.708 nan 8.310 nan 0.000 0.468 112 Q N 1.449 121.411 119.800 0.269 0.000 2.293 112 Q HA 0.521 4.861 4.340 0.001 0.000 0.251 112 Q C -0.068 175.987 176.000 0.091 0.000 0.930 112 Q CA -0.067 55.726 55.803 -0.017 0.000 0.893 112 Q CB 1.033 29.690 28.738 -0.135 0.000 1.215 112 Q HN 0.828 nan 8.270 nan 0.000 0.425 113 T N -0.911 113.612 114.554 -0.052 0.000 2.804 113 T HA 0.458 4.809 4.350 0.001 0.000 0.290 113 T C -2.285 172.307 174.700 -0.179 0.000 1.099 113 T CA -1.702 60.389 62.100 -0.015 0.000 1.011 113 T CB 1.196 69.965 68.868 -0.165 0.000 1.291 113 T HN 0.302 nan 8.240 nan 0.000 0.523 114 P HA 0.081 nan 4.420 nan 0.000 0.228 114 P C -0.021 177.010 177.300 -0.448 0.000 1.151 114 P CA 0.751 63.618 63.100 -0.389 0.000 0.770 114 P CB -0.178 31.220 31.700 -0.504 0.000 0.786 115 Y N -1.572 118.616 120.300 -0.186 0.000 2.507 115 Y HA 0.502 5.052 4.550 0.001 0.000 0.254 115 Y C 1.547 177.312 175.900 -0.224 0.000 1.171 115 Y CA 0.000 57.970 58.100 -0.216 0.000 1.238 115 Y CB -0.056 38.217 38.460 -0.311 0.000 1.148 115 Y HN -0.100 nan 8.280 nan 0.000 0.525 116 G N -0.930 107.781 108.800 -0.148 0.000 2.434 116 G HA2 -0.162 3.799 3.960 0.001 0.000 0.671 116 G HA3 -0.162 3.799 3.960 0.001 0.000 0.671 116 G C -1.334 173.427 174.900 -0.232 0.000 1.280 116 G CA -1.448 43.533 45.100 -0.199 0.000 0.975 116 G HN -0.078 nan 8.290 nan 0.000 0.510 117 Y N 0.939 121.202 120.300 -0.061 0.000 2.497 117 Y HA 0.567 5.117 4.550 0.000 0.000 0.334 117 Y C 1.647 177.465 175.900 -0.136 0.000 1.199 117 Y CA 0.562 58.628 58.100 -0.058 0.000 1.425 117 Y CB 0.648 39.087 38.460 -0.036 0.000 1.291 117 Y HN 0.568 nan 8.280 nan 0.000 0.562 118 R N 0.598 121.106 120.500 0.013 0.000 2.774 118 R HA 0.473 4.813 4.340 0.001 0.000 0.272 118 R C -1.115 174.995 176.300 -0.317 0.000 1.000 118 R CA -1.045 54.903 56.100 -0.254 0.000 0.906 118 R CB 2.302 32.287 30.300 -0.525 0.000 1.227 118 R HN 0.580 nan 8.270 nan 0.000 0.468 119 S N 1.237 116.663 115.700 -0.457 0.000 2.541 119 S HA 0.687 5.158 4.470 0.001 0.000 0.283 119 S C -1.215 172.970 174.600 -0.690 0.000 1.196 119 S CA -0.391 57.564 58.200 -0.407 0.000 1.062 119 S CB 0.392 63.442 63.200 -0.250 0.000 1.009 119 S HN 0.340 nan 8.310 nan 0.000 0.502 120 F N 1.404 121.005 119.950 -0.581 0.000 2.588 120 F HA 0.531 5.058 4.527 0.000 0.000 0.314 120 F C 0.228 175.815 175.800 -0.355 0.000 1.069 120 F CA -0.772 56.903 58.000 -0.541 0.000 0.931 120 F CB 2.448 40.906 39.000 -0.904 0.000 1.260 120 F HN 0.360 nan 8.300 nan 0.000 0.465 121 S N 2.031 117.850 115.700 0.199 0.000 2.789 121 S HA 0.345 4.816 4.470 0.001 0.000 0.286 121 S C -0.956 173.926 174.600 0.469 0.000 1.153 121 S CA -0.913 57.464 58.200 0.296 0.000 1.084 121 S CB 0.675 64.015 63.200 0.233 0.000 1.036 121 S HN 0.435 nan 8.310 nan 0.000 0.484 122 N N 2.267 121.273 118.700 0.510 0.000 2.525 122 N HA 0.412 5.153 4.740 0.001 0.000 0.271 122 N C -0.568 175.122 175.510 0.301 0.000 1.194 122 N CA -0.038 53.302 53.050 0.483 0.000 0.964 122 N CB 0.765 39.531 38.487 0.464 0.000 1.126 122 N HN 0.518 nan 8.380 nan 0.000 0.452 123 I N 2.518 123.226 120.570 0.231 0.000 2.355 123 I HA 0.377 4.548 4.170 0.001 0.000 0.288 123 I C -0.332 175.859 176.117 0.123 0.000 0.999 123 I CA -0.527 60.835 61.300 0.103 0.000 1.163 123 I CB 0.938 38.895 38.000 -0.072 0.000 1.316 123 I HN 0.211 nan 8.210 nan 0.000 0.454 124 I N 5.010 125.621 120.570 0.069 0.000 2.436 124 I HA 0.308 4.479 4.170 0.001 0.000 0.289 124 I C -0.060 176.083 176.117 0.043 0.000 1.010 124 I CA -0.199 61.112 61.300 0.019 0.000 1.098 124 I CB 2.055 40.054 38.000 -0.002 0.000 1.266 124 I HN 0.425 nan 8.210 nan 0.000 0.434 125 S N 4.018 119.749 115.700 0.051 0.000 2.596 125 S HA 0.705 5.176 4.470 0.001 0.000 0.318 125 S C -0.680 174.108 174.600 0.314 0.000 1.097 125 S CA -0.298 57.980 58.200 0.129 0.000 1.080 125 S CB 0.696 63.862 63.200 -0.057 0.000 0.991 125 S HN 0.613 nan 8.310 nan 0.000 0.471 126 T N 5.435 120.186 114.554 0.329 0.000 2.886 126 T HA 0.491 4.842 4.350 0.001 0.000 0.292 126 T C -0.766 173.994 174.700 0.100 0.000 1.012 126 T CA -0.579 61.633 62.100 0.186 0.000 0.982 126 T CB 1.082 69.918 68.868 -0.054 0.000 1.018 126 T HN 0.528 nan 8.240 nan 0.000 0.451 127 L N 3.256 124.426 121.223 -0.089 0.000 2.295 127 L HA 0.457 4.798 4.340 0.001 0.000 0.285 127 L C 0.145 177.016 176.870 0.001 0.000 1.035 127 L CA -0.881 53.809 54.840 -0.251 0.000 0.806 127 L CB 0.587 42.309 42.059 -0.563 0.000 1.214 127 L HN 0.765 nan 8.230 nan 0.000 0.426 128 N N 2.340 121.030 118.700 -0.016 0.000 2.648 128 N HA -0.142 4.598 4.740 0.001 0.000 0.265 128 N C -2.198 173.428 175.510 0.192 0.000 1.100 128 N CA -0.022 53.053 53.050 0.040 0.000 0.715 128 N CB -0.665 37.800 38.487 -0.036 0.000 0.881 128 N HN 0.454 nan 8.380 nan 0.000 0.548 129 P HA -0.133 nan 4.420 nan 0.000 0.216 129 P C 1.426 178.845 177.300 0.200 0.000 1.150 129 P CA 1.338 64.489 63.100 0.085 0.000 0.843 129 P CB 0.156 31.881 31.700 0.042 0.000 0.787 130 T N -1.039 113.598 114.554 0.138 0.000 3.072 130 T HA 0.139 4.489 4.350 0.001 0.000 0.266 130 T C 0.930 175.658 174.700 0.046 0.000 1.127 130 T CA 0.388 62.542 62.100 0.089 0.000 1.107 130 T CB -0.694 68.176 68.868 0.004 0.000 0.910 130 T HN 0.094 nan 8.240 nan 0.000 0.513 131 A N 1.340 124.217 122.820 0.095 0.000 2.540 131 A HA 0.154 4.475 4.320 0.001 0.000 0.239 131 A C 1.381 178.942 177.584 -0.039 0.000 1.061 131 A CA 0.040 52.029 52.037 -0.081 0.000 0.758 131 A CB 0.249 19.082 19.000 -0.277 0.000 0.991 131 A HN 0.390 nan 8.150 nan 0.000 0.502 132 K N 1.127 121.340 120.400 -0.311 0.000 2.020 132 K HA -0.159 4.161 4.320 0.001 0.000 0.212 132 K C 0.564 176.994 176.600 -0.284 0.000 1.050 132 K CA 1.580 57.513 56.287 -0.590 0.000 0.929 132 K CB -0.088 31.843 32.500 -0.947 0.000 0.714 132 K HN 0.763 nan 8.250 nan 0.000 0.443 133 R N -0.261 120.094 120.500 -0.243 0.000 2.732 133 R HA 0.392 4.733 4.340 0.001 0.000 0.278 133 R C -0.979 175.128 176.300 -0.321 0.000 0.976 133 R CA -0.649 55.390 56.100 -0.102 0.000 0.963 133 R CB 1.659 31.933 30.300 -0.043 0.000 1.150 133 R HN 0.125 nan 8.270 nan 0.000 0.478 134 H N 0.150 119.187 119.070 -0.054 0.000 2.954 134 H HA 0.248 4.804 4.556 0.001 0.000 0.361 134 H C -1.393 173.850 175.328 -0.142 0.000 1.122 134 H CA -0.819 55.173 56.048 -0.094 0.000 1.217 134 H CB 1.636 31.339 29.762 -0.099 0.000 1.776 134 H HN 0.242 nan 8.280 nan 0.000 0.533 135 L N 3.381 124.546 121.223 -0.098 0.000 2.331 135 L HA 0.467 4.807 4.340 0.001 0.000 0.278 135 L C -1.066 175.709 176.870 -0.157 0.000 1.106 135 L CA -0.200 54.459 54.840 -0.301 0.000 0.824 135 L CB 0.549 42.351 42.059 -0.429 0.000 1.142 135 L HN 0.455 nan 8.230 nan 0.000 0.443 136 V N 6.669 126.466 119.914 -0.194 0.000 2.409 136 V HA 0.439 4.559 4.120 0.001 0.000 0.291 136 V C -0.011 175.965 176.094 -0.196 0.000 1.020 136 V CA -0.636 61.559 62.300 -0.175 0.000 0.848 136 V CB 1.304 33.005 31.823 -0.202 0.000 0.990 136 V HN 0.615 nan 8.190 nan 0.000 0.430 137 L N 4.318 125.427 121.223 -0.189 0.000 2.317 137 L HA 0.966 5.307 4.340 0.001 0.000 0.281 137 L C 0.149 176.849 176.870 -0.283 0.000 1.024 137 L CA -0.396 54.323 54.840 -0.201 0.000 0.810 137 L CB 1.763 43.722 42.059 -0.168 0.000 1.240 137 L HN 0.785 nan 8.230 nan 0.000 0.427 138 A N 2.076 124.754 122.820 -0.235 0.000 2.594 138 A HA 0.903 5.224 4.320 0.001 0.000 0.291 138 A C -0.867 176.661 177.584 -0.093 0.000 1.105 138 A CA -0.491 51.389 52.037 -0.262 0.000 0.694 138 A CB 1.830 20.722 19.000 -0.180 0.000 1.291 138 A HN 0.964 nan 8.150 nan 0.000 0.410 139 C N -1.054 118.234 119.300 -0.021 0.000 3.284 139 C HA 0.892 5.352 4.460 0.001 0.000 0.348 139 C C -0.769 174.448 174.990 0.378 0.000 1.448 139 C CA -0.573 58.548 59.018 0.171 0.000 1.223 139 C CB 0.516 28.294 27.740 0.063 0.000 1.588 139 C HN 1.630 nan 8.230 nan 0.000 0.451 140 H N -0.964 118.307 119.070 0.335 0.000 2.529 140 H HA 0.681 5.237 4.556 0.001 0.000 0.348 140 H C -0.201 175.348 175.328 0.370 0.000 1.152 140 H CA -0.342 55.944 56.048 0.398 0.000 1.202 140 H CB 0.930 30.891 29.762 0.331 0.000 1.562 140 H HN 0.901 nan 8.280 nan 0.000 0.515 141 Y N 0.523 120.995 120.300 0.287 0.000 2.467 141 Y HA 0.195 4.745 4.550 0.000 0.000 0.250 141 Y C -0.371 175.628 175.900 0.164 0.000 1.155 141 Y CA -0.860 57.326 58.100 0.144 0.000 1.249 141 Y CB -0.021 38.514 38.460 0.126 0.000 1.146 141 Y HN 0.670 nan 8.280 nan 0.000 0.524 142 D N 1.759 122.085 120.400 -0.124 0.000 2.344 142 D HA 0.240 4.880 4.640 0.001 0.000 0.244 142 D C -0.263 176.160 176.300 0.206 0.000 1.134 142 D CA -0.046 53.930 54.000 -0.040 0.000 0.930 142 D CB 1.860 42.651 40.800 -0.015 0.000 1.175 142 D HN 0.289 nan 8.370 nan 0.000 0.437 143 S N -0.364 115.455 115.700 0.199 0.000 2.532 143 S HA 0.349 4.819 4.470 0.001 0.000 0.301 143 S C -0.086 174.697 174.600 0.305 0.000 1.083 143 S CA -1.149 57.243 58.200 0.319 0.000 1.025 143 S CB 2.031 65.404 63.200 0.289 0.000 1.056 143 S HN 0.568 nan 8.310 nan 0.000 0.494 144 K N 1.561 122.127 120.400 0.277 0.000 2.448 144 K HA 0.011 4.332 4.320 0.001 0.000 0.278 144 K C -0.740 175.797 176.600 -0.106 0.000 1.009 144 K CA -0.321 55.872 56.287 -0.156 0.000 0.995 144 K CB 0.166 32.230 32.500 -0.727 0.000 0.917 144 K HN 0.786 nan 8.250 nan 0.000 0.481 145 Y N 4.963 125.025 120.300 -0.396 0.000 2.496 145 Y HA 0.143 4.694 4.550 0.001 0.000 0.334 145 Y C -1.136 174.510 175.900 -0.424 0.000 1.080 145 Y CA -0.438 57.436 58.100 -0.376 0.000 1.355 145 Y CB 0.275 38.464 38.460 -0.453 0.000 1.193 145 Y HN 0.429 nan 8.280 nan 0.000 0.523 146 F N 2.925 122.684 119.950 -0.318 0.000 2.613 146 F HA 0.328 4.855 4.527 0.001 0.000 0.310 146 F C 0.053 175.638 175.800 -0.359 0.000 1.085 146 F CA -0.914 56.863 58.000 -0.371 0.000 0.945 146 F CB 1.811 40.704 39.000 -0.179 0.000 1.298 146 F HN 0.494 nan 8.300 nan 0.000 0.455 147 S N 0.096 115.742 115.700 -0.089 0.000 2.641 147 S HA 0.264 4.735 4.470 0.001 0.000 0.261 147 S C -0.405 174.225 174.600 0.050 0.000 1.257 147 S CA -0.544 57.559 58.200 -0.163 0.000 0.983 147 S CB 0.329 63.470 63.200 -0.097 0.000 0.990 147 S HN 0.544 nan 8.310 nan 0.000 0.572 148 H N 0.164 119.294 119.070 0.100 0.000 2.820 148 H HA 0.208 4.764 4.556 0.001 0.000 0.248 148 H C -0.582 174.820 175.328 0.123 0.000 1.714 148 H CA -1.042 55.079 56.048 0.121 0.000 1.334 148 H CB -1.115 28.700 29.762 0.089 0.000 1.693 148 H HN 0.701 nan 8.280 nan 0.000 0.548 149 W N 3.725 125.067 121.300 0.070 0.000 2.295 149 W HA -0.066 4.595 4.660 0.001 0.000 0.335 149 W C 0.362 176.892 176.519 0.018 0.000 1.351 149 W CA 0.184 57.532 57.345 0.004 0.000 1.273 149 W CB 0.258 29.676 29.460 -0.070 0.000 1.214 149 W HN 0.525 nan 8.180 nan 0.000 0.563 150 N N 4.452 122.749 118.700 -0.672 0.000 2.678 150 N HA -0.341 4.399 4.740 0.001 0.000 0.249 150 N C 0.049 175.416 175.510 -0.238 0.000 1.119 150 N CA 1.803 54.476 53.050 -0.628 0.000 0.718 150 N CB -1.639 36.242 38.487 -1.009 0.000 1.060 150 N HN 0.707 nan 8.380 nan 0.000 0.552 151 N N -2.695 115.953 118.700 -0.086 0.000 2.800 151 N HA -0.227 4.514 4.740 0.001 0.000 0.250 151 N C -0.213 175.291 175.510 -0.011 0.000 1.078 151 N CA 1.307 54.349 53.050 -0.013 0.000 0.804 151 N CB -0.845 37.614 38.487 -0.047 0.000 1.135 151 N HN 0.598 nan 8.380 nan 0.000 0.565 152 R N 0.070 120.596 120.500 0.043 0.000 2.596 152 R HA 0.692 5.032 4.340 0.001 0.000 0.267 152 R C 0.043 176.388 176.300 0.076 0.000 1.026 152 R CA -0.662 55.473 56.100 0.058 0.000 1.087 152 R CB 1.414 31.796 30.300 0.137 0.000 1.132 152 R HN -0.137 nan 8.270 nan 0.000 0.531 153 V N 2.213 122.148 119.914 0.034 0.000 2.487 153 V HA 0.234 4.355 4.120 0.001 0.000 0.298 153 V C -0.771 175.429 176.094 0.178 0.000 1.028 153 V CA -0.737 61.608 62.300 0.076 0.000 0.860 153 V CB 1.431 33.202 31.823 -0.088 0.000 0.991 153 V HN 0.524 nan 8.190 nan 0.000 0.427 154 F N 5.878 125.937 119.950 0.182 0.000 2.472 154 F HA 0.388 4.915 4.527 0.001 0.000 0.364 154 F C 0.948 176.843 175.800 0.159 0.000 1.090 154 F CA 0.029 58.127 58.000 0.164 0.000 1.188 154 F CB 1.371 40.546 39.000 0.292 0.000 1.105 154 F HN 0.349 nan 8.300 nan 0.000 0.536 155 V N 3.212 122.764 119.914 -0.603 0.000 3.477 155 V HA 0.387 4.508 4.120 0.001 0.000 0.297 155 V C 0.966 176.714 176.094 -0.577 0.000 1.433 155 V CA 0.135 62.192 62.300 -0.405 0.000 1.052 155 V CB -0.369 31.331 31.823 -0.205 0.000 0.895 155 V HN 1.259 nan 8.190 nan 0.000 0.438 156 G N 1.408 109.442 108.800 -1.275 0.000 2.334 156 G HA2 -0.136 3.825 3.960 0.001 0.000 0.279 156 G HA3 -0.136 3.825 3.960 0.001 0.000 0.279 156 G C 0.988 175.750 174.900 -0.231 0.000 0.918 156 G CA 0.763 45.496 45.100 -0.612 0.000 1.314 156 G HN 1.401 nan 8.290 nan 0.000 0.463 157 A N 1.078 123.772 122.820 -0.211 0.000 1.877 157 A HA 0.044 4.365 4.320 0.001 0.000 0.216 157 A C 2.626 180.161 177.584 -0.082 0.000 1.186 157 A CA 2.651 54.605 52.037 -0.139 0.000 0.620 157 A CB -0.521 18.412 19.000 -0.112 0.000 0.822 157 A HN 1.666 nan 8.150 nan 0.000 0.443 158 T N -3.684 110.860 114.554 -0.015 0.000 3.100 158 T HA 0.129 4.480 4.350 0.001 0.000 0.253 158 T C 0.171 174.905 174.700 0.057 0.000 1.118 158 T CA 0.860 62.975 62.100 0.024 0.000 1.058 158 T CB 0.040 68.951 68.868 0.071 0.000 0.953 158 T HN 0.266 nan 8.240 nan 0.000 0.515 159 D N 1.857 122.302 120.400 0.075 0.000 2.443 159 D HA 0.286 4.927 4.640 0.001 0.000 0.281 159 D C -0.469 175.879 176.300 0.080 0.000 1.210 159 D CA -0.598 53.501 54.000 0.164 0.000 0.875 159 D CB 0.526 41.533 40.800 0.345 0.000 1.125 159 D HN 0.262 nan 8.370 nan 0.000 0.503 160 S N 0.622 116.208 115.700 -0.190 0.000 2.399 160 S HA 0.513 4.983 4.470 0.001 0.000 0.198 160 S C 1.287 175.825 174.600 -0.104 0.000 1.294 160 S CA -0.206 57.906 58.200 -0.147 0.000 1.237 160 S CB 0.920 63.999 63.200 -0.201 0.000 1.286 160 S HN 0.256 nan 8.310 nan 0.000 0.404 161 A N 1.504 124.272 122.820 -0.086 0.000 1.908 161 A HA 0.025 4.345 4.320 0.001 0.000 0.218 161 A C 2.008 179.541 177.584 -0.086 0.000 1.181 161 A CA 1.891 53.879 52.037 -0.080 0.000 0.627 161 A CB -0.892 18.036 19.000 -0.121 0.000 0.818 161 A HN 0.574 nan 8.150 nan 0.000 0.445 162 V N 0.348 120.200 119.914 -0.104 0.000 2.295 162 V HA -0.161 3.959 4.120 0.001 0.000 0.246 162 V C -0.111 175.958 176.094 -0.042 0.000 1.049 162 V CA 2.520 64.754 62.300 -0.110 0.000 1.024 162 V CB -1.452 30.307 31.823 -0.106 0.000 0.648 162 V HN 0.357 nan 8.190 nan 0.000 0.447 163 P HA -0.114 nan 4.420 nan 0.000 0.216 163 P C 1.806 179.128 177.300 0.036 0.000 1.150 163 P CA 1.539 64.645 63.100 0.011 0.000 0.837 163 P CB -0.174 31.538 31.700 0.020 0.000 0.786 164 C N -0.606 118.739 119.300 0.076 0.000 2.432 164 C HA -0.070 4.390 4.460 0.001 0.000 0.277 164 C C 2.888 177.961 174.990 0.139 0.000 1.249 164 C CA 1.321 60.463 59.018 0.207 0.000 1.725 164 C CB -1.789 26.065 27.740 0.190 0.000 2.028 164 C HN 0.227 nan 8.230 nan 0.000 0.477 165 A N -0.009 122.834 122.820 0.039 0.000 1.940 165 A HA -0.210 4.110 4.320 0.001 0.000 0.219 165 A C 2.132 179.727 177.584 0.017 0.000 1.176 165 A CA 1.949 53.990 52.037 0.007 0.000 0.631 165 A CB -0.578 18.382 19.000 -0.066 0.000 0.814 165 A HN 0.640 nan 8.150 nan 0.000 0.446 166 M N -1.542 118.067 119.600 0.015 0.000 2.117 166 M HA -0.125 4.355 4.480 0.001 0.000 0.262 166 M C 2.370 178.681 176.300 0.019 0.000 1.065 166 M CA 1.749 57.061 55.300 0.020 0.000 1.114 166 M CB -0.359 32.249 32.600 0.013 0.000 1.361 166 M HN 0.418 nan 8.290 nan 0.000 0.408 167 M N -0.252 119.358 119.600 0.017 0.000 2.175 167 M HA -0.154 4.326 4.480 0.001 0.000 0.264 167 M C 2.005 178.312 176.300 0.012 0.000 1.063 167 M CA 1.383 56.673 55.300 -0.016 0.000 1.119 167 M CB -0.293 32.232 32.600 -0.126 0.000 1.377 167 M HN 0.248 nan 8.290 nan 0.000 0.415 168 L N -0.355 120.896 121.223 0.047 0.000 2.056 168 L HA -0.195 4.145 4.340 0.001 0.000 0.207 168 L C 2.512 179.369 176.870 -0.022 0.000 1.078 168 L CA 1.122 55.946 54.840 -0.028 0.000 0.749 168 L CB -0.633 41.380 42.059 -0.077 0.000 0.901 168 L HN 0.272 nan 8.230 nan 0.000 0.433 169 E N 0.891 121.098 120.200 0.011 0.000 2.106 169 E HA -0.232 4.118 4.350 0.001 0.000 0.192 169 E C 2.100 178.727 176.600 0.045 0.000 0.984 169 E CA 1.135 57.554 56.400 0.031 0.000 0.806 169 E CB -0.277 29.452 29.700 0.048 0.000 0.750 169 E HN 0.419 nan 8.360 nan 0.000 0.458 170 L N -0.284 120.967 121.223 0.046 0.000 2.056 170 L HA -0.058 4.283 4.340 0.001 0.000 0.207 170 L C 2.307 179.237 176.870 0.099 0.000 1.078 170 L CA 1.739 56.621 54.840 0.070 0.000 0.749 170 L CB -0.531 41.566 42.059 0.064 0.000 0.901 170 L HN 0.233 nan 8.230 nan 0.000 0.433 171 A N -0.011 122.856 122.820 0.079 0.000 1.902 171 A HA -0.261 4.059 4.320 0.001 0.000 0.217 171 A C 2.491 180.159 177.584 0.140 0.000 1.181 171 A CA 1.882 54.006 52.037 0.145 0.000 0.623 171 A CB -0.687 18.262 19.000 -0.085 0.000 0.818 171 A HN 0.547 nan 8.150 nan 0.000 0.443 172 R N -0.478 120.061 120.500 0.066 0.000 2.062 172 R HA -0.041 4.300 4.340 0.001 0.000 0.229 172 R C 2.305 178.650 176.300 0.076 0.000 1.128 172 R CA 1.366 57.504 56.100 0.063 0.000 0.960 172 R CB -0.406 29.912 30.300 0.030 0.000 0.855 172 R HN 0.417 nan 8.270 nan 0.000 0.432 173 A N 0.836 123.699 122.820 0.072 0.000 2.015 173 A HA -0.037 4.284 4.320 0.001 0.000 0.219 173 A C 1.885 179.514 177.584 0.076 0.000 1.163 173 A CA 0.933 53.011 52.037 0.069 0.000 0.646 173 A CB -0.158 18.882 19.000 0.067 0.000 0.806 173 A HN 0.355 nan 8.150 nan 0.000 0.448 174 L N -0.809 120.471 121.223 0.095 0.000 2.700 174 L HA 0.078 4.419 4.340 0.001 0.000 0.234 174 L C 1.482 178.412 176.870 0.099 0.000 1.156 174 L CA 0.073 54.969 54.840 0.094 0.000 0.946 174 L CB -0.123 42.000 42.059 0.106 0.000 1.216 174 L HN 0.254 nan 8.230 nan 0.000 0.493 175 D N 1.647 122.114 120.400 0.113 0.000 2.137 175 D HA -0.287 4.353 4.640 0.001 0.000 0.189 175 D C 2.119 178.459 176.300 0.067 0.000 0.998 175 D CA 1.704 55.775 54.000 0.119 0.000 0.839 175 D CB 0.229 41.099 40.800 0.116 0.000 0.962 175 D HN 0.143 nan 8.370 nan 0.000 0.446 176 K N 0.137 120.567 120.400 0.051 0.000 2.059 176 K HA -0.234 4.087 4.320 0.001 0.000 0.212 176 K C 2.070 178.682 176.600 0.020 0.000 1.050 176 K CA 1.635 57.941 56.287 0.031 0.000 0.927 176 K CB -0.005 32.512 32.500 0.029 0.000 0.714 176 K HN 0.075 nan 8.250 nan 0.000 0.447 177 K N 0.348 120.764 120.400 0.026 0.000 2.097 177 K HA -0.072 4.249 4.320 0.001 0.000 0.205 177 K C 2.135 178.732 176.600 -0.004 0.000 1.050 177 K CA 1.264 57.561 56.287 0.016 0.000 0.938 177 K CB -0.080 32.437 32.500 0.028 0.000 0.718 177 K HN 0.167 nan 8.250 nan 0.000 0.442 178 L N 0.843 122.062 121.223 -0.005 0.000 2.201 178 L HA -0.147 4.193 4.340 0.001 0.000 0.212 178 L C 2.296 179.099 176.870 -0.111 0.000 1.105 178 L CA 0.263 55.062 54.840 -0.069 0.000 0.775 178 L CB -0.367 41.648 42.059 -0.072 0.000 0.913 178 L HN 0.165 nan 8.230 nan 0.000 0.440 179 L N 0.261 121.447 121.223 -0.063 0.000 2.127 179 L HA -0.208 4.133 4.340 0.001 0.000 0.211 179 L C 2.677 179.510 176.870 -0.062 0.000 1.089 179 L CA 2.047 56.848 54.840 -0.064 0.000 0.757 179 L CB -0.598 41.448 42.059 -0.022 0.000 0.899 179 L HN 0.352 nan 8.230 nan 0.000 0.434 180 S N -1.685 113.987 115.700 -0.048 0.000 2.547 180 S HA -0.097 4.373 4.470 0.001 0.000 0.235 180 S C 1.787 176.354 174.600 -0.057 0.000 0.980 180 S CA 0.870 59.046 58.200 -0.041 0.000 0.941 180 S CB -0.755 62.431 63.200 -0.024 0.000 0.763 180 S HN 0.551 nan 8.310 nan 0.000 0.532 181 L N 0.439 121.611 121.223 -0.086 0.000 2.492 181 L HA 0.212 4.553 4.340 0.001 0.000 0.223 181 L C 1.638 178.446 176.870 -0.103 0.000 1.132 181 L CA 0.182 54.960 54.840 -0.103 0.000 0.850 181 L CB -0.276 41.695 42.059 -0.146 0.000 0.966 181 L HN 0.307 nan 8.230 nan 0.000 0.454 190 D N 1.862 122.205 120.400 -0.095 0.000 2.631 190 D HA 0.333 4.973 4.640 0.001 0.000 0.227 190 D C -0.759 175.414 176.300 -0.212 0.000 1.146 190 D CA -0.128 53.782 54.000 -0.151 0.000 1.009 190 D CB -0.025 40.675 40.800 -0.168 0.000 1.057 190 D HN 0.128 nan 8.370 nan 0.000 0.509 191 L N 1.255 122.347 121.223 -0.218 0.000 2.410 191 L HA 0.679 5.019 4.340 0.001 0.000 0.270 191 L C -0.816 175.880 176.870 -0.291 0.000 0.983 191 L CA -0.220 54.455 54.840 -0.274 0.000 0.822 191 L CB 1.861 43.784 42.059 -0.228 0.000 1.285 191 L HN 0.074 nan 8.230 nan 0.000 0.409 192 S N 3.168 118.608 115.700 -0.435 0.000 2.998 192 S HA 0.784 5.255 4.470 0.001 0.000 0.323 192 S C -1.741 172.799 174.600 -0.101 0.000 1.141 192 S CA -0.509 57.523 58.200 -0.279 0.000 0.873 192 S CB 0.985 64.020 63.200 -0.276 0.000 1.315 192 S HN 0.780 nan 8.310 nan 0.000 0.637 193 L N 2.032 123.268 121.223 0.021 0.000 2.346 193 L HA 0.709 5.049 4.340 0.001 0.000 0.274 193 L C -0.720 176.263 176.870 0.189 0.000 1.007 193 L CA -0.010 54.884 54.840 0.089 0.000 0.818 193 L CB 1.698 43.777 42.059 0.034 0.000 1.284 193 L HN 0.745 nan 8.230 nan 0.000 0.424 194 Q N 3.720 123.605 119.800 0.142 0.000 2.372 194 Q HA 0.657 4.997 4.340 0.001 0.000 0.273 194 Q C -2.027 173.983 176.000 0.017 0.000 1.078 194 Q CA -0.694 55.157 55.803 0.079 0.000 0.806 194 Q CB 1.964 30.616 28.738 -0.143 0.000 1.332 194 Q HN 0.743 nan 8.270 nan 0.000 0.435 195 L N 4.583 125.797 121.223 -0.016 0.000 2.341 195 L HA 0.623 4.964 4.340 0.001 0.000 0.278 195 L C -0.748 175.884 176.870 -0.396 0.000 1.005 195 L CA -0.803 53.863 54.840 -0.290 0.000 0.818 195 L CB 1.781 43.600 42.059 -0.400 0.000 1.259 195 L HN 0.594 nan 8.230 nan 0.000 0.418 196 I N 2.583 122.798 120.570 -0.592 0.000 2.466 196 I HA 0.365 4.535 4.170 0.001 0.000 0.289 196 I C -1.167 174.520 176.117 -0.716 0.000 1.026 196 I CA -0.291 60.656 61.300 -0.588 0.000 1.078 196 I CB 1.951 39.498 38.000 -0.755 0.000 1.249 196 I HN 0.364 nan 8.210 nan 0.000 0.429 197 F N 5.809 125.600 119.950 -0.265 0.000 2.366 197 F HA 0.453 4.980 4.527 0.000 0.000 0.366 197 F C -0.119 175.779 175.800 0.164 0.000 1.096 197 F CA -0.603 57.377 58.000 -0.032 0.000 1.060 197 F CB 0.651 39.617 39.000 -0.057 0.000 1.282 197 F HN 0.182 nan 8.300 nan 0.000 0.450 198 F N 1.554 121.782 119.950 0.464 0.000 2.459 198 F HA 0.198 4.726 4.527 0.000 0.000 0.346 198 F C 0.728 176.774 175.800 0.410 0.000 1.128 198 F CA -0.209 58.046 58.000 0.426 0.000 1.268 198 F CB 0.404 39.598 39.000 0.322 0.000 1.161 198 F HN 0.355 nan 8.300 nan 0.000 0.583 199 D N 0.164 120.895 120.400 0.553 0.000 2.326 199 D HA 0.393 5.034 4.640 0.001 0.000 0.251 199 D C 0.720 177.227 176.300 0.345 0.000 1.023 199 D CA 0.130 54.266 54.000 0.227 0.000 0.966 199 D CB 1.566 42.557 40.800 0.319 0.000 1.156 199 D HN 0.718 nan 8.370 nan 0.000 0.494 200 G N 1.940 110.922 108.800 0.302 0.000 2.283 200 G HA2 -0.311 3.650 3.960 0.001 0.000 0.280 200 G HA3 -0.311 3.650 3.960 0.001 0.000 0.280 200 G C 0.923 175.945 174.900 0.203 0.000 1.029 200 G CA 0.855 46.165 45.100 0.350 0.000 0.840 200 G HN 0.593 nan 8.290 nan 0.000 0.505 201 E N -0.008 120.236 120.200 0.073 0.000 2.110 201 E HA -0.099 4.251 4.350 0.001 0.000 0.193 201 E C 0.979 177.547 176.600 -0.054 0.000 0.988 201 E CA 0.952 57.303 56.400 -0.082 0.000 0.804 201 E CB 0.068 29.528 29.700 -0.400 0.000 0.745 201 E HN 0.702 nan 8.360 nan 0.000 0.458 202 E N 0.387 120.565 120.200 -0.036 0.000 2.349 202 E HA 0.346 4.696 4.350 0.001 0.000 0.265 202 E C -0.313 176.258 176.600 -0.047 0.000 1.064 202 E CA -0.191 56.229 56.400 0.033 0.000 0.886 202 E CB 1.246 30.907 29.700 -0.065 0.000 1.036 202 E HN 0.183 nan 8.360 nan 0.000 0.413 203 A N 1.981 124.783 122.820 -0.030 0.000 2.425 203 A HA 0.146 4.466 4.320 0.001 0.000 0.242 203 A C 0.377 177.955 177.584 -0.012 0.000 1.077 203 A CA -0.013 51.992 52.037 -0.054 0.000 0.781 203 A CB 0.086 19.069 19.000 -0.029 0.000 1.020 203 A HN 0.712 nan 8.150 nan 0.000 0.494 204 F N 0.145 120.164 119.950 0.116 0.000 2.317 204 F HA 0.071 4.598 4.527 0.001 0.000 0.293 204 F C 1.655 177.537 175.800 0.136 0.000 1.085 204 F CA 1.349 59.436 58.000 0.145 0.000 1.390 204 F CB 0.368 39.419 39.000 0.084 0.000 1.077 204 F HN 0.536 nan 8.300 nan 0.000 0.517 205 L N -2.059 119.284 121.223 0.200 0.000 2.600 205 L HA 0.295 4.636 4.340 0.001 0.000 0.213 205 L C -0.454 176.522 176.870 0.177 0.000 1.045 205 L CA 1.060 55.989 54.840 0.149 0.000 0.863 205 L CB 0.362 42.414 42.059 -0.013 0.000 1.189 205 L HN 0.004 nan 8.230 nan 0.000 0.484 206 H N -0.773 118.318 119.070 0.036 0.000 3.151 206 H HA 0.074 4.630 4.556 0.001 0.000 0.333 206 H C -1.813 173.573 175.328 0.096 0.000 1.093 206 H CA -0.844 55.248 56.048 0.074 0.000 1.342 206 H CB 0.646 30.441 29.762 0.055 0.000 1.983 206 H HN 0.184 nan 8.280 nan 0.000 0.503 207 W N 5.745 126.814 121.300 -0.385 0.000 2.295 207 W HA 0.256 4.917 4.660 0.001 0.000 0.335 207 W C -0.821 175.658 176.519 -0.066 0.000 1.351 207 W CA 1.536 58.763 57.345 -0.198 0.000 1.273 207 W CB 0.357 29.713 29.460 -0.173 0.000 1.214 207 W HN 0.670 nan 8.180 nan 0.000 0.563 208 S N 4.172 119.654 115.700 -0.362 0.000 2.627 208 S HA 0.274 4.745 4.470 0.001 0.000 0.268 208 S C -2.299 172.088 174.600 -0.356 0.000 1.130 208 S CA -1.217 56.889 58.200 -0.155 0.000 0.819 208 S CB 2.174 65.388 63.200 0.023 0.000 1.100 208 S HN 0.169 nan 8.310 nan 0.000 0.465 209 P HA -0.144 nan 4.420 nan 0.000 0.216 209 P C 0.955 178.076 177.300 -0.297 0.000 1.154 209 P CA 1.571 64.539 63.100 -0.219 0.000 0.865 209 P CB 0.048 31.680 31.700 -0.114 0.000 0.789 210 Q N -1.703 117.949 119.800 -0.248 0.000 2.319 210 Q HA 0.062 4.402 4.340 0.001 0.000 0.202 210 Q C 0.021 175.825 176.000 -0.327 0.000 0.896 210 Q CA 0.640 56.298 55.803 -0.242 0.000 0.942 210 Q CB -0.077 28.588 28.738 -0.121 0.000 1.083 210 Q HN 0.248 nan 8.270 nan 0.000 0.510 211 D N 0.751 120.902 120.400 -0.415 0.000 2.443 211 D HA 0.298 4.938 4.640 0.001 0.000 0.281 211 D C -1.228 174.644 176.300 -0.714 0.000 1.210 211 D CA -0.215 53.551 54.000 -0.390 0.000 0.875 211 D CB 0.112 40.853 40.800 -0.099 0.000 1.125 211 D HN 0.042 nan 8.370 nan 0.000 0.503 212 S N 0.876 115.909 115.700 -1.112 0.000 2.735 212 S HA 0.171 4.642 4.470 0.001 0.000 0.276 212 S C -0.170 173.840 174.600 -0.985 0.000 0.957 212 S CA -0.838 56.654 58.200 -1.180 0.000 0.933 212 S CB -0.256 61.631 63.200 -2.189 0.000 1.182 212 S HN 0.460 nan 8.310 nan 0.000 0.459 213 L N 0.412 121.265 121.223 -0.615 0.000 3.781 213 L HA -0.294 4.046 4.340 0.001 0.000 0.426 213 L C 1.023 177.677 176.870 -0.361 0.000 1.197 213 L CA 0.767 55.378 54.840 -0.381 0.000 0.907 213 L CB -2.402 39.453 42.059 -0.340 0.000 1.812 213 L HN 0.816 nan 8.230 nan 0.000 0.956 214 Y N 0.439 120.578 120.300 -0.268 0.000 2.097 214 Y HA -0.220 4.331 4.550 0.000 0.000 0.282 214 Y C 2.491 178.318 175.900 -0.123 0.000 1.152 214 Y CA 2.116 60.035 58.100 -0.302 0.000 1.136 214 Y CB -0.596 37.374 38.460 -0.817 0.000 0.975 214 Y HN 0.381 nan 8.280 nan 0.000 0.498 215 G N -0.740 108.198 108.800 0.231 0.000 2.418 215 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 215 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 215 G C 1.836 176.837 174.900 0.168 0.000 1.158 215 G CA 1.468 46.792 45.100 0.374 0.000 0.771 215 G HN 0.495 nan 8.290 nan 0.000 0.545 216 S N 0.388 115.989 115.700 -0.165 0.000 2.387 216 S HA 0.018 4.489 4.470 0.001 0.000 0.226 216 S C 2.230 176.652 174.600 -0.298 0.000 1.026 216 S CA 0.829 58.804 58.200 -0.375 0.000 0.972 216 S CB -0.292 62.433 63.200 -0.792 0.000 0.814 216 S HN 0.403 nan 8.310 nan 0.000 0.477 217 R N 0.457 120.779 120.500 -0.295 0.000 2.083 217 R HA -0.133 4.208 4.340 0.001 0.000 0.237 217 R C 2.513 178.632 176.300 -0.302 0.000 1.137 217 R CA 1.826 57.740 56.100 -0.310 0.000 0.951 217 R CB -0.687 29.450 30.300 -0.272 0.000 0.851 217 R HN 0.698 nan 8.270 nan 0.000 0.434 218 H N 0.574 119.401 119.070 -0.405 0.000 2.321 218 H HA -0.120 4.436 4.556 0.000 0.000 0.300 218 H C 1.891 177.005 175.328 -0.358 0.000 1.087 218 H CA 1.645 57.380 56.048 -0.520 0.000 1.319 218 H CB -0.134 28.886 29.762 -1.237 0.000 1.379 218 H HN 0.077 nan 8.280 nan 0.000 0.501 219 L N 0.360 121.413 121.223 -0.283 0.000 2.056 219 L HA 0.073 4.413 4.340 0.001 0.000 0.207 219 L C 2.501 179.253 176.870 -0.196 0.000 1.078 219 L CA 1.792 56.558 54.840 -0.123 0.000 0.749 219 L CB -1.249 41.032 42.059 0.370 0.000 0.901 219 L HN 0.441 nan 8.230 nan 0.000 0.433 220 A N -0.502 122.030 122.820 -0.479 0.000 1.908 220 A HA -0.143 4.177 4.320 0.001 0.000 0.218 220 A C 2.441 179.765 177.584 -0.433 0.000 1.181 220 A CA 1.885 53.432 52.037 -0.816 0.000 0.627 220 A CB -1.129 17.066 19.000 -1.342 0.000 0.818 220 A HN 0.539 nan 8.150 nan 0.000 0.445 221 A N -0.177 122.410 122.820 -0.389 0.000 1.898 221 A HA -0.140 4.180 4.320 0.001 0.000 0.216 221 A C 2.118 179.550 177.584 -0.254 0.000 1.181 221 A CA 2.032 53.896 52.037 -0.288 0.000 0.620 221 A CB -0.431 18.410 19.000 -0.266 0.000 0.819 221 A HN 0.590 nan 8.150 nan 0.000 0.442 222 K N -0.774 119.429 120.400 -0.329 0.000 2.057 222 K HA -0.053 4.267 4.320 0.001 0.000 0.206 222 K C 1.992 178.502 176.600 -0.150 0.000 1.050 222 K CA 1.687 57.816 56.287 -0.263 0.000 0.935 222 K CB -0.257 32.012 32.500 -0.386 0.000 0.715 222 K HN 0.461 nan 8.250 nan 0.000 0.439 223 M N 0.065 119.587 119.600 -0.129 0.000 2.254 223 M HA -0.028 4.452 4.480 0.001 0.000 0.265 223 M C 2.223 178.465 176.300 -0.096 0.000 1.066 223 M CA 1.301 56.560 55.300 -0.067 0.000 1.123 223 M CB -0.062 32.549 32.600 0.018 0.000 1.388 223 M HN 0.298 nan 8.290 nan 0.000 0.425 224 A N 0.010 122.749 122.820 -0.136 0.000 2.067 224 A HA -0.088 4.233 4.320 0.001 0.000 0.219 224 A C 2.021 179.535 177.584 -0.116 0.000 1.158 224 A CA 1.747 53.693 52.037 -0.153 0.000 0.661 224 A CB -0.542 18.366 19.000 -0.152 0.000 0.801 224 A HN 0.552 nan 8.150 nan 0.000 0.452 225 S N -1.780 113.865 115.700 -0.092 0.000 2.602 225 S HA 0.230 4.700 4.470 0.001 0.000 0.240 225 S C 0.114 174.699 174.600 -0.026 0.000 0.992 225 S CA -0.095 58.072 58.200 -0.056 0.000 0.971 225 S CB -0.107 63.057 63.200 -0.059 0.000 0.855 225 S HN 0.154 nan 8.310 nan 0.000 0.481 226 T N 4.936 119.477 114.554 -0.021 0.000 2.772 226 T HA 0.489 4.839 4.350 0.001 0.000 0.288 226 T C -2.939 171.800 174.700 0.065 0.000 0.994 226 T CA -1.507 60.604 62.100 0.018 0.000 0.951 226 T CB 1.428 70.303 68.868 0.013 0.000 0.933 226 T HN 0.077 nan 8.240 nan 0.000 0.447 227 P HA 0.201 nan 4.420 nan 0.000 0.266 227 P C -0.788 176.636 177.300 0.206 0.000 1.195 227 P CA 0.074 63.252 63.100 0.130 0.000 0.768 227 P CB 0.320 32.077 31.700 0.095 0.000 0.838 228 H N 2.686 121.843 119.070 0.145 0.000 3.026 228 H HA 0.407 4.963 4.556 0.000 0.000 0.352 228 H C -2.823 172.649 175.328 0.239 0.000 1.090 228 H CA -1.955 54.177 56.048 0.140 0.000 1.268 228 H CB 1.566 31.409 29.762 0.134 0.000 1.816 228 H HN 0.192 nan 8.280 nan 0.000 0.518 229 P HA 0.206 nan 4.420 nan 0.000 0.275 229 P C -2.604 174.599 177.300 -0.162 0.000 1.266 229 P CA -1.675 61.019 63.100 -0.677 0.000 0.793 229 P CB -0.233 31.094 31.700 -0.622 0.000 1.074 230 P HA -0.023 nan 4.420 nan 0.000 0.261 230 P C 1.033 178.331 177.300 -0.003 0.000 1.165 230 P CA 2.023 65.120 63.100 -0.004 0.000 0.759 230 P CB -0.533 31.167 31.700 -0.000 0.000 0.772 231 G N 1.905 110.718 108.800 0.022 0.000 2.195 231 G HA2 -0.192 3.769 3.960 0.001 0.000 0.246 231 G HA3 -0.192 3.769 3.960 0.001 0.000 0.246 231 G C 0.489 175.414 174.900 0.042 0.000 0.984 231 G CA -0.027 45.089 45.100 0.026 0.000 0.633 231 G HN 0.846 nan 8.290 nan 0.000 0.525 232 A N -0.171 122.685 122.820 0.059 0.000 2.466 232 A HA 0.671 4.991 4.320 0.001 0.000 0.238 232 A C 1.294 178.928 177.584 0.084 0.000 1.074 232 A CA 1.114 53.207 52.037 0.095 0.000 0.774 232 A CB 0.205 19.300 19.000 0.158 0.000 1.015 232 A HN 0.502 nan 8.150 nan 0.000 0.498 233 R N 1.081 121.629 120.500 0.080 0.000 2.279 233 R HA 0.150 4.490 4.340 0.001 0.000 0.195 233 R C 1.222 177.561 176.300 0.065 0.000 0.905 233 R CA 0.774 56.911 56.100 0.061 0.000 1.044 233 R CB 0.616 30.943 30.300 0.045 0.000 1.056 233 R HN 0.766 nan 8.270 nan 0.000 0.535 234 G N 0.758 109.606 108.800 0.080 0.000 3.815 234 G HA2 0.032 3.992 3.960 0.001 0.000 0.265 234 G HA3 0.032 3.992 3.960 0.001 0.000 0.265 234 G C -0.055 174.915 174.900 0.118 0.000 1.026 234 G CA -0.061 45.083 45.100 0.074 0.000 0.868 234 G HN 0.192 nan 8.290 nan 0.000 0.476 235 T N -0.994 113.674 114.554 0.191 0.000 2.893 235 T HA 0.700 5.050 4.350 0.001 0.000 0.291 235 T C -0.092 174.816 174.700 0.347 0.000 1.028 235 T CA -0.287 62.021 62.100 0.348 0.000 0.995 235 T CB 2.116 71.171 68.868 0.312 0.000 1.051 235 T HN 0.410 nan 8.240 nan 0.000 0.470 236 S N 1.687 117.531 115.700 0.239 0.000 2.704 236 S HA 0.351 4.821 4.470 0.001 0.000 0.305 236 S C 1.044 175.721 174.600 0.128 0.000 1.107 236 S CA -0.947 57.264 58.200 0.017 0.000 0.993 236 S CB 1.574 64.596 63.200 -0.295 0.000 1.110 236 S HN 0.772 nan 8.310 nan 0.000 0.534 237 Q N -0.285 119.559 119.800 0.072 0.000 2.170 237 Q HA -0.078 4.262 4.340 0.001 0.000 0.203 237 Q C 1.863 177.853 176.000 -0.016 0.000 0.976 237 Q CA 1.306 57.074 55.803 -0.058 0.000 0.858 237 Q CB -0.496 28.157 28.738 -0.142 0.000 0.907 237 Q HN 0.755 nan 8.270 nan 0.000 0.433 238 L N -0.214 120.969 121.223 -0.066 0.000 2.131 238 L HA -0.203 4.138 4.340 0.001 0.000 0.210 238 L C 1.751 178.659 176.870 0.064 0.000 1.092 238 L CA 1.662 56.489 54.840 -0.020 0.000 0.759 238 L CB -0.099 41.898 42.059 -0.104 0.000 0.903 238 L HN 0.242 nan 8.230 nan 0.000 0.435 239 H N -1.673 117.505 119.070 0.179 0.000 2.462 239 H HA 0.004 4.561 4.556 0.000 0.000 0.292 239 H C 2.029 177.582 175.328 0.375 0.000 1.049 239 H CA 0.531 56.685 56.048 0.177 0.000 1.334 239 H CB -0.073 29.720 29.762 0.052 0.000 1.404 239 H HN 0.495 nan 8.280 nan 0.000 0.544 240 G N 0.257 109.398 108.800 0.568 0.000 2.744 240 G HA2 -0.064 3.896 3.960 0.001 0.000 0.211 240 G HA3 -0.064 3.896 3.960 0.001 0.000 0.211 240 G C 0.488 175.542 174.900 0.258 0.000 1.143 240 G CA -0.176 45.228 45.100 0.507 0.000 0.788 240 G HN 0.220 nan 8.290 nan 0.000 0.534 241 M N 1.457 121.165 119.600 0.181 0.000 2.383 241 M HA 0.195 4.675 4.480 0.001 0.000 0.337 241 M C 0.528 176.876 176.300 0.080 0.000 1.422 241 M CA -0.325 55.026 55.300 0.085 0.000 1.333 241 M CB 1.028 33.655 32.600 0.046 0.000 1.488 241 M HN -0.081 nan 8.290 nan 0.000 0.454 242 D N 1.884 122.315 120.400 0.053 0.000 2.133 242 D HA -0.040 4.600 4.640 0.001 0.000 0.195 242 D C -0.205 176.093 176.300 -0.005 0.000 0.997 242 D CA 1.445 55.472 54.000 0.046 0.000 0.840 242 D CB 0.341 41.148 40.800 0.010 0.000 0.947 242 D HN 0.370 nan 8.370 nan 0.000 0.452 243 L N -0.829 120.323 121.223 -0.118 0.000 2.592 243 L HA 0.378 4.718 4.340 0.001 0.000 0.258 243 L C -2.229 174.536 176.870 -0.175 0.000 0.926 243 L CA -0.869 53.881 54.840 -0.151 0.000 0.885 243 L CB 1.719 43.586 42.059 -0.321 0.000 1.380 243 L HN -0.160 nan 8.230 nan 0.000 0.415 244 L N 5.618 126.767 121.223 -0.124 0.000 2.295 244 L HA 0.654 4.994 4.340 0.001 0.000 0.281 244 L C -1.180 175.623 176.870 -0.113 0.000 1.018 244 L CA -0.261 54.490 54.840 -0.148 0.000 0.841 244 L CB 1.463 43.428 42.059 -0.157 0.000 1.218 244 L HN 0.385 nan 8.230 nan 0.000 0.424 245 V N 6.605 126.429 119.914 -0.149 0.000 2.320 245 V HA 0.302 4.422 4.120 0.001 0.000 0.265 245 V C -0.015 176.018 176.094 -0.102 0.000 1.048 245 V CA -0.404 61.810 62.300 -0.143 0.000 0.865 245 V CB 0.990 32.682 31.823 -0.220 0.000 1.043 245 V HN 0.634 nan 8.190 nan 0.000 0.474 246 L N 6.662 127.855 121.223 -0.051 0.000 2.272 246 L HA 0.613 4.953 4.340 0.001 0.000 0.289 246 L C -0.710 176.163 176.870 0.005 0.000 1.032 246 L CA -0.036 54.801 54.840 -0.005 0.000 0.810 246 L CB 1.237 43.319 42.059 0.038 0.000 1.205 246 L HN 0.456 nan 8.230 nan 0.000 0.422 247 L N 5.374 126.611 121.223 0.023 0.000 2.296 247 L HA 0.666 5.006 4.340 0.001 0.000 0.286 247 L C -0.601 176.327 176.870 0.097 0.000 1.023 247 L CA -0.009 54.861 54.840 0.049 0.000 0.812 247 L CB 1.525 43.591 42.059 0.011 0.000 1.223 247 L HN 0.569 nan 8.230 nan 0.000 0.421 248 D N 2.200 122.670 120.400 0.116 0.000 2.654 248 D HA 0.460 5.100 4.640 0.001 0.000 0.231 248 D C -0.228 176.126 176.300 0.089 0.000 1.239 248 D CA -0.430 53.644 54.000 0.123 0.000 0.790 248 D CB 1.673 42.566 40.800 0.156 0.000 1.480 248 D HN 0.389 nan 8.370 nan 0.000 0.442 249 L N 0.984 122.255 121.223 0.080 0.000 3.717 249 L HA -0.225 4.115 4.340 0.001 0.000 0.414 249 L C -0.264 176.641 176.870 0.059 0.000 1.228 249 L CA 0.518 55.389 54.840 0.051 0.000 0.918 249 L CB -1.873 40.136 42.059 -0.083 0.000 1.865 249 L HN 0.365 nan 8.230 nan 0.000 0.922 250 I N -0.498 120.122 120.570 0.083 0.000 2.437 250 I HA 0.620 4.790 4.170 0.001 0.000 0.298 250 I C 1.234 177.380 176.117 0.048 0.000 0.984 250 I CA 0.608 61.965 61.300 0.094 0.000 1.214 250 I CB 1.639 39.727 38.000 0.146 0.000 1.365 250 I HN 0.252 nan 8.210 nan 0.000 0.469 251 G N 3.641 112.464 108.800 0.038 0.000 3.382 251 G HA2 -0.042 3.919 3.960 0.001 0.000 0.214 251 G HA3 -0.042 3.919 3.960 0.001 0.000 0.214 251 G C 0.225 175.158 174.900 0.056 0.000 1.025 251 G CA 0.030 45.153 45.100 0.038 0.000 0.869 251 G HN 0.833 nan 8.290 nan 0.000 0.458 252 A N 2.061 124.905 122.820 0.041 0.000 2.346 252 A HA 0.692 5.013 4.320 0.001 0.000 0.252 252 A C -1.721 175.878 177.584 0.026 0.000 1.089 252 A CA -0.399 51.664 52.037 0.044 0.000 0.797 252 A CB 0.094 19.119 19.000 0.041 0.000 1.047 252 A HN 0.273 nan 8.150 nan 0.000 0.494 253 P HA 0.189 nan 4.420 nan 0.000 0.279 253 P C -0.849 176.478 177.300 0.045 0.000 1.252 253 P CA -0.406 62.727 63.100 0.056 0.000 0.811 253 P CB 0.529 32.273 31.700 0.073 0.000 1.035 254 N N -1.838 116.920 118.700 0.096 0.000 2.738 254 N HA -0.091 4.650 4.740 0.001 0.000 0.249 254 N C -1.879 173.652 175.510 0.036 0.000 1.047 254 N CA 0.475 53.593 53.050 0.112 0.000 0.707 254 N CB -1.840 36.687 38.487 0.066 0.000 0.937 254 N HN 0.498 nan 8.380 nan 0.000 0.545 255 P HA 0.213 nan 4.420 nan 0.000 0.277 255 P C -0.188 176.992 177.300 -0.201 0.000 1.240 255 P CA 0.143 63.095 63.100 -0.245 0.000 0.798 255 P CB 0.996 32.422 31.700 -0.457 0.000 0.979 256 T N -1.130 113.242 114.554 -0.304 0.000 2.890 256 T HA 0.553 4.903 4.350 0.001 0.000 0.295 256 T C -0.746 173.807 174.700 -0.245 0.000 0.993 256 T CA -0.575 61.458 62.100 -0.112 0.000 0.979 256 T CB -0.032 68.879 68.868 0.071 0.000 0.967 256 T HN 0.085 nan 8.240 nan 0.000 0.441 257 F N 5.233 125.184 119.950 0.001 0.000 2.361 257 F HA 0.456 4.984 4.527 0.000 0.000 0.364 257 F C -1.900 173.961 175.800 0.102 0.000 1.120 257 F CA -2.324 55.727 58.000 0.085 0.000 1.102 257 F CB 1.608 40.709 39.000 0.168 0.000 1.183 257 F HN 0.379 nan 8.300 nan 0.000 0.476 258 P HA 0.052 nan 4.420 nan 0.000 0.279 258 P C -0.970 175.702 177.300 -1.047 0.000 1.252 258 P CA -0.639 61.913 63.100 -0.914 0.000 0.811 258 P CB 1.045 31.776 31.700 -1.616 0.000 1.035 259 N N 1.201 119.083 118.700 -1.365 0.000 2.421 259 N HA 0.094 4.834 4.740 0.001 0.000 0.260 259 N C 0.473 175.497 175.510 -0.810 0.000 1.173 259 N CA -0.313 51.821 53.050 -1.527 0.000 0.960 259 N CB -0.358 37.230 38.487 -1.499 0.000 1.273 259 N HN 0.251 nan 8.380 nan 0.000 0.497 260 F N 2.472 122.101 119.950 -0.535 0.000 2.293 260 F HA 0.149 4.676 4.527 0.001 0.000 0.297 260 F C 0.025 175.323 175.800 -0.837 0.000 1.089 260 F CA 0.467 58.046 58.000 -0.701 0.000 1.377 260 F CB 0.242 38.655 39.000 -0.978 0.000 1.051 260 F HN 0.328 nan 8.300 nan 0.000 0.511 261 F N -0.961 119.081 119.950 0.153 0.000 2.547 261 F HA 0.370 4.898 4.527 0.001 0.000 0.316 261 F C -1.900 173.953 175.800 0.088 0.000 1.121 261 F CA -2.930 55.147 58.000 0.129 0.000 0.911 261 F CB 0.996 40.091 39.000 0.157 0.000 1.179 261 F HN -0.343 nan 8.300 nan 0.000 0.443 262 P HA -0.151 nan 4.420 nan 0.000 0.218 262 P C 1.077 178.481 177.300 0.173 0.000 1.148 262 P CA 1.306 64.500 63.100 0.157 0.000 0.822 262 P CB 0.178 31.954 31.700 0.127 0.000 0.784 263 N N -1.062 117.765 118.700 0.212 0.000 2.461 263 N HA -0.036 4.704 4.740 0.001 0.000 0.188 263 N C 0.655 176.317 175.510 0.254 0.000 1.134 263 N CA 0.912 54.074 53.050 0.187 0.000 0.878 263 N CB -0.752 37.821 38.487 0.143 0.000 0.972 263 N HN 0.143 nan 8.380 nan 0.000 0.456 264 S N -2.934 112.955 115.700 0.315 0.000 2.733 264 S HA 0.516 4.987 4.470 0.001 0.000 0.247 264 S C 1.566 176.396 174.600 0.383 0.000 1.043 264 S CA -0.030 58.429 58.200 0.431 0.000 1.066 264 S CB 0.123 63.591 63.200 0.447 0.000 1.045 264 S HN 0.309 nan 8.310 nan 0.000 0.586 265 A N 3.923 126.892 122.820 0.248 0.000 1.958 265 A HA -0.229 4.092 4.320 0.001 0.000 0.221 265 A C 2.329 180.027 177.584 0.192 0.000 1.178 265 A CA 1.918 54.072 52.037 0.194 0.000 0.642 265 A CB -0.852 18.208 19.000 0.100 0.000 0.816 265 A HN 0.782 nan 8.150 nan 0.000 0.453 266 R N -1.959 118.570 120.500 0.048 0.000 2.148 266 R HA -0.145 4.196 4.340 0.001 0.000 0.227 266 R C 1.862 178.101 176.300 -0.100 0.000 1.103 266 R CA 1.448 57.475 56.100 -0.122 0.000 0.983 266 R CB -0.600 29.486 30.300 -0.357 0.000 0.874 266 R HN 0.662 nan 8.270 nan 0.000 0.451 267 W N 0.117 121.587 121.300 0.282 0.000 2.518 267 W HA 0.079 4.740 4.660 0.001 0.000 0.273 267 W C 1.880 178.581 176.519 0.302 0.000 1.247 267 W CA -0.357 57.215 57.345 0.379 0.000 1.288 267 W CB -0.167 29.571 29.460 0.462 0.000 1.107 267 W HN -0.004 nan 8.180 nan 0.000 0.586 268 F N 1.925 122.038 119.950 0.272 0.000 2.113 268 F HA -0.183 4.345 4.527 0.001 0.000 0.297 268 F C 2.115 177.955 175.800 0.067 0.000 1.103 268 F CA 1.955 60.017 58.000 0.104 0.000 1.248 268 F CB -0.459 38.603 39.000 0.105 0.000 0.999 268 F HN -0.144 nan 8.300 nan 0.000 0.475 269 E N -0.244 120.095 120.200 0.233 0.000 2.160 269 E HA -0.222 4.128 4.350 0.001 0.000 0.195 269 E C 2.179 178.798 176.600 0.031 0.000 0.991 269 E CA 0.765 57.227 56.400 0.102 0.000 0.810 269 E CB -0.184 29.575 29.700 0.098 0.000 0.742 269 E HN 0.294 nan 8.360 nan 0.000 0.466 270 R N 0.570 121.137 120.500 0.111 0.000 2.092 270 R HA -0.029 4.311 4.340 0.001 0.000 0.231 270 R C 2.386 178.746 176.300 0.100 0.000 1.119 270 R CA 0.655 56.848 56.100 0.156 0.000 0.970 270 R CB -0.605 29.898 30.300 0.339 0.000 0.864 270 R HN 0.274 nan 8.270 nan 0.000 0.440 271 L N 0.773 121.955 121.223 -0.069 0.000 2.046 271 L HA -0.202 4.138 4.340 0.001 0.000 0.208 271 L C 2.595 179.274 176.870 -0.317 0.000 1.077 271 L CA 1.416 56.009 54.840 -0.412 0.000 0.747 271 L CB -0.471 40.834 42.059 -1.257 0.000 0.896 271 L HN 0.214 nan 8.230 nan 0.000 0.432 272 Q N -0.198 119.422 119.800 -0.299 0.000 2.030 272 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 272 Q C 2.450 178.483 176.000 0.055 0.000 0.986 272 Q CA 1.785 57.557 55.803 -0.051 0.000 0.843 272 Q CB -0.354 28.366 28.738 -0.030 0.000 0.904 272 Q HN 0.569 nan 8.270 nan 0.000 0.420 273 A N 1.007 123.845 122.820 0.030 0.000 1.883 273 A HA -0.210 4.110 4.320 0.001 0.000 0.217 273 A C 2.058 179.706 177.584 0.106 0.000 1.186 273 A CA 1.491 53.565 52.037 0.060 0.000 0.624 273 A CB -0.750 18.269 19.000 0.032 0.000 0.822 273 A HN 0.332 nan 8.150 nan 0.000 0.444 274 I N -0.805 119.817 120.570 0.088 0.000 2.315 274 I HA -0.227 3.944 4.170 0.001 0.000 0.248 274 I C 2.551 178.737 176.117 0.115 0.000 1.117 274 I CA 1.660 63.020 61.300 0.100 0.000 1.404 274 I CB -0.323 37.742 38.000 0.107 0.000 1.071 274 I HN 0.545 nan 8.210 nan 0.000 0.419 275 E N 0.532 120.813 120.200 0.135 0.000 2.077 275 E HA -0.313 4.037 4.350 0.001 0.000 0.193 275 E C 2.147 178.820 176.600 0.123 0.000 0.989 275 E CA 1.471 57.965 56.400 0.156 0.000 0.800 275 E CB -0.056 29.818 29.700 0.290 0.000 0.746 275 E HN 0.562 nan 8.360 nan 0.000 0.452 276 H N 0.051 119.166 119.070 0.075 0.000 2.326 276 H HA -0.119 4.438 4.556 0.001 0.000 0.301 276 H C 2.066 177.445 175.328 0.086 0.000 1.081 276 H CA 2.091 58.175 56.048 0.060 0.000 1.334 276 H CB 0.083 29.869 29.762 0.040 0.000 1.385 276 H HN 0.100 nan 8.280 nan 0.000 0.504 277 E N 0.375 120.710 120.200 0.224 0.000 2.106 277 E HA -0.103 4.248 4.350 0.001 0.000 0.192 277 E C 2.225 178.874 176.600 0.082 0.000 0.984 277 E CA 1.121 57.617 56.400 0.159 0.000 0.806 277 E CB -0.342 29.437 29.700 0.133 0.000 0.750 277 E HN 0.591 nan 8.360 nan 0.000 0.458 278 L N 0.134 121.395 121.223 0.065 0.000 2.093 278 L HA -0.167 4.173 4.340 0.001 0.000 0.208 278 L C 2.730 179.600 176.870 -0.001 0.000 1.085 278 L CA 1.438 56.294 54.840 0.027 0.000 0.755 278 L CB -0.672 41.399 42.059 0.020 0.000 0.904 278 L HN 0.369 nan 8.230 nan 0.000 0.435 279 H N 0.665 119.655 119.070 -0.134 0.000 2.326 279 H HA -0.145 4.411 4.556 0.001 0.000 0.301 279 H C 1.902 177.169 175.328 -0.103 0.000 1.081 279 H CA 1.500 57.455 56.048 -0.155 0.000 1.334 279 H CB 0.295 29.958 29.762 -0.165 0.000 1.385 279 H HN 0.283 nan 8.280 nan 0.000 0.504 280 E N 0.808 121.067 120.200 0.098 0.000 2.153 280 E HA -0.099 4.251 4.350 0.001 0.000 0.194 280 E C 2.365 178.966 176.600 0.001 0.000 0.988 280 E CA 0.455 56.890 56.400 0.059 0.000 0.811 280 E CB -0.111 29.628 29.700 0.065 0.000 0.746 280 E HN 0.517 nan 8.360 nan 0.000 0.466 281 L N -0.100 121.121 121.223 -0.004 0.000 2.612 281 L HA 0.128 4.468 4.340 0.001 0.000 0.230 281 L C 1.125 177.970 176.870 -0.041 0.000 1.140 281 L CA 0.271 55.106 54.840 -0.010 0.000 0.896 281 L CB -0.211 41.852 42.059 0.007 0.000 1.065 281 L HN 0.137 nan 8.230 nan 0.000 0.447 282 G N 0.597 109.341 108.800 -0.093 0.000 2.249 282 G HA2 -0.291 3.670 3.960 0.001 0.000 0.273 282 G HA3 -0.291 3.670 3.960 0.001 0.000 0.273 282 G C 0.578 175.429 174.900 -0.082 0.000 1.036 282 G CA 0.277 45.303 45.100 -0.123 0.000 0.824 282 G HN 0.400 nan 8.290 nan 0.000 0.504 283 L N -1.555 119.628 121.223 -0.066 0.000 2.607 283 L HA 0.380 4.720 4.340 0.001 0.000 0.228 283 L C 0.691 177.540 176.870 -0.034 0.000 1.123 283 L CA -0.210 54.610 54.840 -0.033 0.000 0.890 283 L CB 0.043 42.096 42.059 -0.009 0.000 1.103 283 L HN 0.152 nan 8.230 nan 0.000 0.468 284 L N -0.150 121.028 121.223 -0.074 0.000 2.322 284 L HA 0.423 4.763 4.340 0.001 0.000 0.269 284 L C -0.128 176.732 176.870 -0.016 0.000 1.012 284 L CA -0.358 54.444 54.840 -0.063 0.000 0.815 284 L CB 1.625 43.560 42.059 -0.207 0.000 1.295 284 L HN -0.076 nan 8.230 nan 0.000 0.438 285 K N 1.392 121.824 120.400 0.054 0.000 2.221 285 K HA 0.340 4.660 4.320 0.001 0.000 0.258 285 K C -0.916 175.764 176.600 0.134 0.000 0.944 285 K CA -0.708 55.622 56.287 0.073 0.000 0.823 285 K CB 1.168 33.707 32.500 0.064 0.000 1.113 285 K HN 0.546 nan 8.250 nan 0.000 0.431 286 D N 2.308 122.772 120.400 0.106 0.000 2.689 286 D HA -0.223 4.417 4.640 0.001 0.000 0.237 286 D C -0.712 175.698 176.300 0.184 0.000 1.148 286 D CA 1.240 55.310 54.000 0.118 0.000 0.656 286 D CB -0.791 40.074 40.800 0.109 0.000 1.050 286 D HN 0.525 nan 8.370 nan 0.000 0.426 287 H N -0.047 119.059 119.070 0.060 0.000 2.589 287 H HA 0.439 4.995 4.556 0.001 0.000 0.351 287 H C -0.727 174.686 175.328 0.142 0.000 1.074 287 H CA -0.205 55.884 56.048 0.069 0.000 1.203 287 H CB 1.672 31.480 29.762 0.076 0.000 1.558 287 H HN 0.070 nan 8.280 nan 0.000 0.522 288 S N 4.627 120.190 115.700 -0.227 0.000 2.568 288 S HA 0.328 4.799 4.470 0.001 0.000 0.302 288 S C 1.262 175.617 174.600 -0.410 0.000 1.082 288 S CA -0.960 57.182 58.200 -0.096 0.000 1.009 288 S CB 1.499 64.652 63.200 -0.077 0.000 1.069 288 S HN 0.638 nan 8.310 nan 0.000 0.500 289 L N 0.590 121.595 121.223 -0.363 0.000 2.275 289 L HA -0.020 4.320 4.340 0.001 0.000 0.215 289 L C 2.694 179.442 176.870 -0.204 0.000 1.119 289 L CA 1.319 55.940 54.840 -0.367 0.000 0.790 289 L CB -0.585 41.264 42.059 -0.350 0.000 0.919 289 L HN 0.837 nan 8.230 nan 0.000 0.443 290 E N 1.270 121.376 120.200 -0.158 0.000 2.031 290 E HA -0.157 4.193 4.350 0.001 0.000 0.193 290 E C 1.586 178.117 176.600 -0.115 0.000 0.994 290 E CA 1.497 57.838 56.400 -0.098 0.000 0.800 290 E CB -0.258 29.401 29.700 -0.069 0.000 0.752 290 E HN 0.242 nan 8.360 nan 0.000 0.447 291 G N 1.287 109.980 108.800 -0.179 0.000 4.084 291 G HA2 0.108 4.069 3.960 0.001 0.000 0.293 291 G HA3 0.108 4.069 3.960 0.001 0.000 0.293 291 G C -0.388 174.328 174.900 -0.307 0.000 1.303 291 G CA -0.422 44.576 45.100 -0.170 0.000 1.289 291 G HN 0.207 nan 8.290 nan 0.000 0.609 292 R N -1.041 119.282 120.500 -0.295 0.000 2.734 292 R HA 0.110 4.450 4.340 0.001 0.000 0.266 292 R C 0.095 176.313 176.300 -0.136 0.000 1.044 292 R CA -0.196 55.705 56.100 -0.332 0.000 1.128 292 R CB 0.576 30.823 30.300 -0.088 0.000 1.010 292 R HN 0.167 nan 8.270 nan 0.000 0.461 293 Y N 0.679 121.001 120.300 0.036 0.000 2.220 293 Y HA 0.057 4.608 4.550 0.001 0.000 0.291 293 Y C 0.613 176.394 175.900 -0.198 0.000 1.129 293 Y CA 0.367 58.399 58.100 -0.115 0.000 1.161 293 Y CB -0.190 38.137 38.460 -0.221 0.000 0.997 293 Y HN 0.356 nan 8.280 nan 0.000 0.522 294 F N 2.097 122.249 119.950 0.336 0.000 2.335 294 F HA 0.359 4.886 4.527 0.000 0.000 0.365 294 F C 0.151 176.092 175.800 0.236 0.000 1.122 294 F CA -1.031 57.085 58.000 0.194 0.000 1.151 294 F CB 0.276 39.113 39.000 -0.271 0.000 1.282 294 F HN -0.089 nan 8.300 nan 0.000 0.513 295 Q N 2.348 122.446 119.800 0.497 0.000 2.274 295 Q HA 0.263 4.604 4.340 0.001 0.000 0.260 295 Q C -0.034 176.224 176.000 0.430 0.000 0.974 295 Q CA -0.847 55.204 55.803 0.412 0.000 0.876 295 Q CB 1.622 30.576 28.738 0.360 0.000 1.297 295 Q HN 0.499 nan 8.270 nan 0.000 0.446 296 N N 2.567 121.465 118.700 0.329 0.000 3.007 296 N HA -0.058 4.683 4.740 0.001 0.000 0.329 296 N C -0.921 174.715 175.510 0.210 0.000 1.209 296 N CA 0.607 53.801 53.050 0.240 0.000 1.176 296 N CB -0.660 37.932 38.487 0.176 0.000 1.426 296 N HN 0.436 nan 8.380 nan 0.000 0.554 297 Y N -1.673 118.630 120.300 0.004 0.000 2.479 297 Y HA 0.396 4.946 4.550 0.001 0.000 0.338 297 Y C -0.379 175.425 175.900 -0.160 0.000 1.055 297 Y CA -1.457 56.606 58.100 -0.062 0.000 1.023 297 Y CB 0.541 38.979 38.460 -0.037 0.000 1.287 297 Y HN 0.047 nan 8.280 nan 0.000 0.447 298 S N 3.657 119.265 115.700 -0.152 0.000 2.681 298 S HA 0.730 5.200 4.470 0.001 0.000 0.270 298 S C -1.206 173.265 174.600 -0.215 0.000 1.209 298 S CA -0.155 57.867 58.200 -0.297 0.000 0.988 298 S CB 1.833 64.944 63.200 -0.148 0.000 1.006 298 S HN 0.955 nan 8.310 nan 0.000 0.558 304 Q N 5.319 125.175 119.800 0.093 0.000 2.349 304 Q HA 0.474 4.814 4.340 0.001 0.000 0.254 304 Q C -1.008 175.092 176.000 0.167 0.000 0.980 304 Q CA 0.038 55.913 55.803 0.121 0.000 0.924 304 Q CB 2.218 31.007 28.738 0.085 0.000 1.209 304 Q HN 0.484 nan 8.270 nan 0.000 0.445 305 D N 0.530 121.077 120.400 0.245 0.000 2.838 305 D HA 0.102 4.743 4.640 0.001 0.000 0.334 305 D C -0.183 176.225 176.300 0.180 0.000 1.315 305 D CA -0.431 53.738 54.000 0.282 0.000 0.917 305 D CB 1.340 42.331 40.800 0.318 0.000 1.435 305 D HN 0.171 nan 8.370 nan 0.000 0.517 306 D N -0.483 120.004 120.400 0.144 0.000 2.354 306 D HA -0.158 4.482 4.640 0.001 0.000 0.216 306 D C 1.582 177.911 176.300 0.048 0.000 0.970 306 D CA 0.904 54.852 54.000 -0.087 0.000 0.905 306 D CB -0.081 40.540 40.800 -0.298 0.000 0.903 306 D HN 0.429 nan 8.370 nan 0.000 0.508 307 H N -0.229 118.880 119.070 0.065 0.000 2.502 307 H HA 0.010 4.567 4.556 0.001 0.000 0.283 307 H C 2.099 177.509 175.328 0.138 0.000 1.015 307 H CA 0.010 56.132 56.048 0.123 0.000 1.298 307 H CB -0.310 29.492 29.762 0.066 0.000 1.411 307 H HN 0.050 nan 8.280 nan 0.000 0.556 308 I N 2.114 122.331 120.570 -0.589 0.000 2.151 308 I HA -0.162 4.009 4.170 0.001 0.000 0.243 308 I C -0.471 175.525 176.117 -0.202 0.000 1.080 308 I CA 1.114 62.165 61.300 -0.415 0.000 1.339 308 I CB -2.043 35.761 38.000 -0.326 0.000 1.039 308 I HN 0.252 nan 8.210 nan 0.000 0.409 309 P HA -0.126 nan 4.420 nan 0.000 0.222 309 P C 1.694 178.758 177.300 -0.395 0.000 1.147 309 P CA 1.411 64.313 63.100 -0.330 0.000 0.790 309 P CB -0.083 31.337 31.700 -0.467 0.000 0.780 310 F N -1.862 118.015 119.950 -0.122 0.000 2.387 310 F HA 0.063 4.590 4.527 0.001 0.000 0.294 310 F C 2.108 177.856 175.800 -0.086 0.000 1.093 310 F CA 0.354 58.309 58.000 -0.074 0.000 1.420 310 F CB -1.120 37.865 39.000 -0.024 0.000 1.086 310 F HN -0.197 nan 8.300 nan 0.000 0.531 311 L N 1.521 122.773 121.223 0.048 0.000 2.017 311 L HA -0.160 4.180 4.340 0.001 0.000 0.208 311 L C 2.683 179.515 176.870 -0.063 0.000 1.073 311 L CA 1.716 56.520 54.840 -0.059 0.000 0.745 311 L CB -0.642 41.337 42.059 -0.134 0.000 0.894 311 L HN 0.151 nan 8.230 nan 0.000 0.432 312 R N -0.596 119.858 120.500 -0.077 0.000 2.241 312 R HA -0.105 4.236 4.340 0.001 0.000 0.224 312 R C 1.408 177.672 176.300 -0.061 0.000 1.101 312 R CA 1.227 57.285 56.100 -0.069 0.000 0.995 312 R CB -0.492 29.755 30.300 -0.088 0.000 0.870 312 R HN 0.339 nan 8.270 nan 0.000 0.463 313 R N 0.224 120.687 120.500 -0.060 0.000 2.507 313 R HA 0.168 4.508 4.340 0.001 0.000 0.298 313 R C 0.268 176.573 176.300 0.008 0.000 0.999 313 R CA 0.357 56.433 56.100 -0.041 0.000 1.082 313 R CB 1.056 31.308 30.300 -0.081 0.000 1.246 313 R HN 0.507 nan 8.270 nan 0.000 0.553 314 G N 0.988 109.790 108.800 0.004 0.000 2.160 314 G HA2 -0.256 3.705 3.960 0.001 0.000 0.251 314 G HA3 -0.256 3.705 3.960 0.001 0.000 0.251 314 G C 0.156 175.082 174.900 0.043 0.000 1.008 314 G CA 0.040 45.151 45.100 0.018 0.000 0.724 314 G HN 0.169 nan 8.290 nan 0.000 0.514 315 V N 1.575 121.528 119.914 0.065 0.000 2.488 315 V HA 0.341 4.462 4.120 0.001 0.000 0.277 315 V C -1.274 174.836 176.094 0.027 0.000 1.046 315 V CA -1.212 61.140 62.300 0.086 0.000 0.986 315 V CB 1.316 33.236 31.823 0.162 0.000 0.989 315 V HN 0.146 nan 8.190 nan 0.000 0.475 316 P HA 0.185 nan 4.420 nan 0.000 0.268 316 P C -0.840 176.461 177.300 0.002 0.000 1.204 316 P CA 0.110 63.227 63.100 0.028 0.000 0.768 316 P CB 0.622 32.386 31.700 0.107 0.000 0.842 317 V N 4.587 124.477 119.914 -0.040 0.000 2.540 317 V HA 0.342 4.462 4.120 0.001 0.000 0.302 317 V C -0.389 175.823 176.094 0.196 0.000 1.035 317 V CA -0.630 61.675 62.300 0.007 0.000 0.873 317 V CB 1.934 33.706 31.823 -0.084 0.000 0.992 317 V HN 0.313 nan 8.190 nan 0.000 0.428 318 L N 6.140 127.455 121.223 0.154 0.000 2.337 318 L HA 0.574 4.915 4.340 0.001 0.000 0.269 318 L C -0.734 176.220 176.870 0.140 0.000 1.018 318 L CA -0.338 54.626 54.840 0.206 0.000 0.876 318 L CB 1.071 43.175 42.059 0.075 0.000 1.236 318 L HN 0.610 nan 8.230 nan 0.000 0.436 319 L N 6.042 127.403 121.223 0.230 0.000 2.363 319 L HA 0.298 4.638 4.340 0.001 0.000 0.286 319 L C -0.369 176.617 176.870 0.193 0.000 1.106 319 L CA 0.461 55.336 54.840 0.059 0.000 0.859 319 L CB 0.124 42.038 42.059 -0.242 0.000 1.223 319 L HN 0.566 nan 8.230 nan 0.000 0.446 320 L N 7.209 128.506 121.223 0.122 0.000 2.536 320 L HA 0.353 4.693 4.340 0.001 0.000 0.242 320 L C -0.395 176.709 176.870 0.391 0.000 1.280 320 L CA 0.131 55.094 54.840 0.205 0.000 1.221 320 L CB -0.440 41.588 42.059 -0.051 0.000 1.449 320 L HN 0.522 nan 8.230 nan 0.000 0.405 321 I N 1.856 122.702 120.570 0.461 0.000 2.447 321 I HA 0.382 4.553 4.170 0.001 0.000 0.287 321 I C -2.312 173.981 176.117 0.293 0.000 1.023 321 I CA -2.039 59.421 61.300 0.267 0.000 1.083 321 I CB 2.666 40.664 38.000 -0.003 0.000 1.245 321 I HN 0.119 nan 8.210 nan 0.000 0.434 322 P HA 0.180 nan 4.420 nan 0.000 0.274 322 P C -0.863 176.436 177.300 -0.001 0.000 1.246 322 P CA -0.427 62.490 63.100 -0.304 0.000 0.795 322 P CB 0.838 32.219 31.700 -0.532 0.000 1.006 323 S N 0.983 116.643 115.700 -0.066 0.000 2.677 323 S HA 0.491 4.961 4.470 0.001 0.000 0.283 323 S C -2.774 171.829 174.600 0.005 0.000 1.159 323 S CA -1.559 56.618 58.200 -0.038 0.000 1.001 323 S CB 0.688 63.820 63.200 -0.114 0.000 1.032 323 S HN 0.245 nan 8.310 nan 0.000 0.487 324 P HA 0.285 nan 4.420 nan 0.000 0.272 324 P C -0.395 176.899 177.300 -0.010 0.000 1.240 324 P CA -0.448 62.591 63.100 -0.102 0.000 0.791 324 P CB 0.305 31.948 31.700 -0.095 0.000 0.978 325 F N -0.009 119.808 119.950 -0.223 0.000 2.485 325 F HA 0.234 4.761 4.527 0.000 0.000 0.327 325 F C -1.312 174.421 175.800 -0.111 0.000 1.203 325 F CA -2.173 55.679 58.000 -0.247 0.000 1.295 325 F CB -1.968 36.709 39.000 -0.538 0.000 1.191 325 F HN 0.187 nan 8.300 nan 0.000 0.588 326 P HA 0.014 nan 4.420 nan 0.000 0.266 326 P C 0.447 177.856 177.300 0.181 0.000 1.193 326 P CA 0.213 63.396 63.100 0.137 0.000 0.770 326 P CB 0.440 32.230 31.700 0.149 0.000 0.836 327 E N 0.986 121.264 120.200 0.130 0.000 2.204 327 E HA -0.127 4.223 4.350 0.001 0.000 0.195 327 E C 1.399 178.106 176.600 0.178 0.000 0.990 327 E CA 1.219 57.699 56.400 0.133 0.000 0.821 327 E CB -0.226 29.526 29.700 0.088 0.000 0.750 327 E HN 0.375 nan 8.360 nan 0.000 0.477 328 V N -1.732 118.292 119.914 0.184 0.000 3.573 328 V HA 0.009 4.129 4.120 0.001 0.000 0.270 328 V C 0.529 176.786 176.094 0.271 0.000 1.221 328 V CA -0.495 61.917 62.300 0.187 0.000 1.163 328 V CB -1.367 30.544 31.823 0.147 0.000 0.847 328 V HN 0.241 nan 8.190 nan 0.000 0.468 329 W N 2.846 124.219 121.300 0.121 0.000 2.551 329 W HA -0.003 4.657 4.660 0.000 0.000 0.336 329 W C 1.085 177.731 176.519 0.212 0.000 1.158 329 W CA 1.315 58.740 57.345 0.133 0.000 1.258 329 W CB -0.945 28.554 29.460 0.065 0.000 1.157 329 W HN 0.628 nan 8.180 nan 0.000 0.562 330 H N 2.330 121.155 119.070 -0.408 0.000 2.690 330 H HA -0.239 4.317 4.556 0.001 0.000 0.309 330 H C 0.466 175.580 175.328 -0.356 0.000 1.138 330 H CA 0.799 56.509 56.048 -0.563 0.000 1.142 330 H CB -1.547 27.530 29.762 -1.141 0.000 1.410 330 H HN 0.470 nan 8.280 nan 0.000 0.409 331 T N -3.732 110.840 114.554 0.029 0.000 2.916 331 T HA 0.419 4.769 4.350 0.001 0.000 0.292 331 T C 1.189 175.968 174.700 0.132 0.000 1.064 331 T CA -1.199 60.842 62.100 -0.098 0.000 1.011 331 T CB 1.696 70.532 68.868 -0.054 0.000 1.152 331 T HN 0.001 nan 8.240 nan 0.000 0.510 332 M N 0.877 120.497 119.600 0.033 0.000 2.549 332 M HA 0.006 4.487 4.480 0.001 0.000 0.260 332 M C 0.648 177.023 176.300 0.125 0.000 1.076 332 M CA 0.859 56.260 55.300 0.168 0.000 1.090 332 M CB -1.172 31.560 32.600 0.221 0.000 1.418 332 M HN 0.646 nan 8.290 nan 0.000 0.486 333 D N 0.216 120.680 120.400 0.108 0.000 2.349 333 D HA -0.052 4.588 4.640 0.001 0.000 0.224 333 D C 0.318 176.667 176.300 0.082 0.000 1.029 333 D CA 0.459 54.515 54.000 0.093 0.000 0.879 333 D CB -0.130 40.724 40.800 0.091 0.000 0.906 333 D HN 0.256 nan 8.370 nan 0.000 0.528 334 D N 1.623 122.079 120.400 0.094 0.000 2.608 334 D HA 0.012 4.652 4.640 0.001 0.000 0.224 334 D C -0.214 176.045 176.300 -0.069 0.000 1.123 334 D CA -0.272 53.762 54.000 0.057 0.000 1.030 334 D CB -0.548 40.339 40.800 0.145 0.000 1.093 334 D HN 0.088 nan 8.370 nan 0.000 0.497 335 N N -0.370 118.317 118.700 -0.020 0.000 2.966 335 N HA 0.164 4.904 4.740 0.001 0.000 0.314 335 N C 0.866 176.378 175.510 0.003 0.000 1.397 335 N CA -0.797 52.231 53.050 -0.038 0.000 0.776 335 N CB 0.579 39.061 38.487 -0.009 0.000 1.576 335 N HN 0.014 nan 8.380 nan 0.000 0.592 336 E N -0.332 119.876 120.200 0.012 0.000 2.077 336 E HA -0.285 4.065 4.350 0.001 0.000 0.193 336 E C 1.140 177.838 176.600 0.163 0.000 0.989 336 E CA 1.242 57.690 56.400 0.080 0.000 0.800 336 E CB -0.028 29.734 29.700 0.103 0.000 0.746 336 E HN 0.744 nan 8.360 nan 0.000 0.452 337 E N 0.094 120.364 120.200 0.116 0.000 2.209 337 E HA -0.204 4.147 4.350 0.001 0.000 0.196 337 E C 1.005 177.671 176.600 0.110 0.000 0.993 337 E CA 1.326 57.793 56.400 0.112 0.000 0.819 337 E CB -0.059 29.686 29.700 0.076 0.000 0.745 337 E HN 0.324 nan 8.360 nan 0.000 0.477 338 N N -0.400 118.360 118.700 0.101 0.000 2.336 338 N HA 0.142 4.882 4.740 0.001 0.000 0.189 338 N C -0.345 175.233 175.510 0.114 0.000 1.113 338 N CA -0.379 52.729 53.050 0.095 0.000 0.858 338 N CB 0.430 38.966 38.487 0.081 0.000 0.970 338 N HN 0.047 nan 8.380 nan 0.000 0.471 339 L N 0.154 121.471 121.223 0.157 0.000 2.453 339 L HA 0.218 4.559 4.340 0.001 0.000 0.261 339 L C -0.094 176.918 176.870 0.236 0.000 1.179 339 L CA -0.234 54.723 54.840 0.194 0.000 0.813 339 L CB 0.590 42.796 42.059 0.245 0.000 1.110 339 L HN 0.025 nan 8.230 nan 0.000 0.466 340 D N -0.077 120.455 120.400 0.220 0.000 2.453 340 D HA 0.084 4.724 4.640 0.001 0.000 0.238 340 D C 0.738 177.174 176.300 0.227 0.000 1.088 340 D CA -0.344 53.764 54.000 0.180 0.000 0.854 340 D CB 1.140 42.014 40.800 0.123 0.000 1.076 340 D HN 0.550 nan 8.370 nan 0.000 0.533 341 E N 1.959 122.269 120.200 0.184 0.000 2.086 341 E HA -0.244 4.106 4.350 0.001 0.000 0.200 341 E C 1.080 177.772 176.600 0.154 0.000 1.012 341 E CA 1.326 57.815 56.400 0.147 0.000 0.812 341 E CB 0.235 29.833 29.700 -0.170 0.000 0.743 341 E HN 0.426 nan 8.360 nan 0.000 0.453 342 S N -0.401 115.367 115.700 0.113 0.000 2.368 342 S HA -0.123 4.348 4.470 0.001 0.000 0.225 342 S C 1.978 176.686 174.600 0.180 0.000 1.030 342 S CA 1.530 59.810 58.200 0.133 0.000 0.999 342 S CB -0.316 62.959 63.200 0.125 0.000 0.844 342 S HN 0.393 nan 8.310 nan 0.000 0.459 343 T N 2.465 117.123 114.554 0.173 0.000 2.746 343 T HA 0.003 4.353 4.350 0.001 0.000 0.267 343 T C 1.727 176.470 174.700 0.073 0.000 1.039 343 T CA 1.151 63.325 62.100 0.122 0.000 1.142 343 T CB -0.369 68.512 68.868 0.023 0.000 0.866 343 T HN 0.323 nan 8.240 nan 0.000 0.444 344 I N 1.099 121.741 120.570 0.120 0.000 2.202 344 I HA -0.139 4.032 4.170 0.001 0.000 0.242 344 I C 2.541 178.740 176.117 0.137 0.000 1.091 344 I CA 1.278 62.651 61.300 0.123 0.000 1.368 344 I CB -0.350 37.758 38.000 0.180 0.000 1.058 344 I HN 0.158 nan 8.210 nan 0.000 0.410 345 D N 1.148 121.645 120.400 0.163 0.000 2.123 345 D HA -0.199 4.442 4.640 0.001 0.000 0.196 345 D C 1.901 178.282 176.300 0.135 0.000 0.992 345 D CA 1.483 55.568 54.000 0.142 0.000 0.833 345 D CB -0.104 40.773 40.800 0.127 0.000 0.954 345 D HN 0.174 nan 8.370 nan 0.000 0.455 346 N N -0.089 118.712 118.700 0.167 0.000 2.120 346 N HA -0.097 4.643 4.740 0.001 0.000 0.188 346 N C 2.051 177.683 175.510 0.202 0.000 1.024 346 N CA 0.550 53.721 53.050 0.202 0.000 0.852 346 N CB -0.398 38.300 38.487 0.351 0.000 1.003 346 N HN 0.318 nan 8.380 nan 0.000 0.424 347 L N 0.967 122.289 121.223 0.166 0.000 2.131 347 L HA -0.114 4.227 4.340 0.001 0.000 0.210 347 L C 1.802 178.736 176.870 0.107 0.000 1.092 347 L CA 0.758 55.677 54.840 0.131 0.000 0.759 347 L CB -0.392 41.693 42.059 0.044 0.000 0.903 347 L HN 0.126 nan 8.230 nan 0.000 0.435 348 N N 0.528 119.288 118.700 0.099 0.000 2.120 348 N HA -0.168 4.572 4.740 0.001 0.000 0.188 348 N C 1.768 177.334 175.510 0.092 0.000 1.024 348 N CA 1.285 54.387 53.050 0.086 0.000 0.852 348 N CB -0.104 38.436 38.487 0.088 0.000 1.003 348 N HN 0.353 nan 8.380 nan 0.000 0.424 349 K N 0.596 121.056 120.400 0.100 0.000 2.026 349 K HA 0.011 4.332 4.320 0.001 0.000 0.208 349 K C 2.138 178.802 176.600 0.106 0.000 1.048 349 K CA 0.824 57.168 56.287 0.094 0.000 0.929 349 K CB -0.146 32.404 32.500 0.083 0.000 0.713 349 K HN 0.146 nan 8.250 nan 0.000 0.439 350 I N 0.963 121.609 120.570 0.126 0.000 2.226 350 I HA -0.275 3.895 4.170 0.001 0.000 0.245 350 I C 2.348 178.540 176.117 0.125 0.000 1.100 350 I CA 0.786 62.168 61.300 0.137 0.000 1.374 350 I CB -0.192 37.930 38.000 0.203 0.000 1.057 350 I HN 0.125 nan 8.210 nan 0.000 0.413 351 L N 0.451 121.732 121.223 0.097 0.000 2.072 351 L HA -0.190 4.150 4.340 0.001 0.000 0.205 351 L C 2.458 179.415 176.870 0.145 0.000 1.079 351 L CA 1.753 56.640 54.840 0.078 0.000 0.752 351 L CB -0.588 41.484 42.059 0.022 0.000 0.906 351 L HN 0.197 nan 8.230 nan 0.000 0.436 352 Q N -1.182 118.690 119.800 0.120 0.000 2.084 352 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 352 Q C 2.204 178.283 176.000 0.132 0.000 0.978 352 Q CA 1.853 57.727 55.803 0.119 0.000 0.844 352 Q CB -0.261 28.534 28.738 0.095 0.000 0.898 352 Q HN 0.447 nan 8.270 nan 0.000 0.426 353 V N 0.612 120.606 119.914 0.133 0.000 2.261 353 V HA -0.264 3.856 4.120 0.001 0.000 0.246 353 V C 1.910 178.093 176.094 0.148 0.000 1.047 353 V CA 1.908 64.280 62.300 0.120 0.000 1.015 353 V CB -0.627 31.261 31.823 0.109 0.000 0.642 353 V HN 0.340 nan 8.190 nan 0.000 0.446 354 F N 0.620 120.602 119.950 0.054 0.000 2.087 354 F HA -0.260 4.267 4.527 0.000 0.000 0.299 354 F C 2.213 178.074 175.800 0.103 0.000 1.100 354 F CA 2.213 60.257 58.000 0.073 0.000 1.226 354 F CB -0.314 38.694 39.000 0.013 0.000 0.983 354 F HN -0.028 nan 8.300 nan 0.000 0.479 355 V N 0.651 120.731 119.914 0.276 0.000 2.307 355 V HA -0.307 3.813 4.120 0.001 0.000 0.245 355 V C 2.456 178.612 176.094 0.104 0.000 1.045 355 V CA 2.006 64.416 62.300 0.183 0.000 1.024 355 V CB -0.738 31.189 31.823 0.172 0.000 0.651 355 V HN 0.385 nan 8.190 nan 0.000 0.449 356 L N -0.292 120.987 121.223 0.094 0.000 2.042 356 L HA -0.224 4.116 4.340 0.001 0.000 0.210 356 L C 2.607 179.520 176.870 0.072 0.000 1.076 356 L CA 1.821 56.708 54.840 0.077 0.000 0.749 356 L CB -0.663 41.435 42.059 0.065 0.000 0.893 356 L HN 0.401 nan 8.230 nan 0.000 0.432 357 E N -1.031 119.189 120.200 0.032 0.000 2.153 357 E HA -0.255 4.096 4.350 0.001 0.000 0.194 357 E C 2.013 178.659 176.600 0.075 0.000 0.988 357 E CA 1.270 57.678 56.400 0.013 0.000 0.811 357 E CB -0.123 29.555 29.700 -0.036 0.000 0.746 357 E HN 0.461 nan 8.360 nan 0.000 0.466 358 Y N 0.929 121.159 120.300 -0.118 0.000 2.200 358 Y HA -0.109 4.441 4.550 0.001 0.000 0.290 358 Y C 1.865 177.835 175.900 0.116 0.000 1.137 358 Y CA 1.197 59.255 58.100 -0.071 0.000 1.163 358 Y CB 0.164 38.387 38.460 -0.395 0.000 0.988 358 Y HN -0.066 nan 8.280 nan 0.000 0.518 359 L N -0.861 120.496 121.223 0.224 0.000 2.599 359 L HA -0.037 4.303 4.340 0.001 0.000 0.230 359 L C -0.006 176.965 176.870 0.168 0.000 1.141 359 L CA 0.592 55.509 54.840 0.127 0.000 0.877 359 L CB -0.666 41.441 42.059 0.081 0.000 1.009 359 L HN 0.360 nan 8.230 nan 0.000 0.447 360 H N -0.738 118.349 119.070 0.028 0.000 2.819 360 H HA -0.121 4.435 4.556 0.001 0.000 0.315 360 H C 0.039 175.368 175.328 0.002 0.000 1.242 360 H CA -0.293 55.756 56.048 0.003 0.000 1.157 360 H CB -1.477 28.288 29.762 0.005 0.000 1.451 360 H HN 0.294 nan 8.280 nan 0.000 0.430 361 L N 0.000 121.289 121.223 0.110 0.000 2.949 361 L HA 0.000 4.340 4.340 0.001 0.000 0.249 361 L CA 0.000 54.876 54.840 0.060 0.000 0.813 361 L CB 0.000 42.088 42.059 0.049 0.000 0.961 361 L HN 0.000 nan 8.230 nan 0.000 0.502