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 1lyw_1_D DATA FIRST_RESID 106 DATA SEQUENCE GGVKVERQVF GEATKQPGIT FIAAKFDGIL GMAYPRISVN NVLPVFDNLM DATA SEQUENCE QQKLVDQNIF SFYLSRDPDA QPGGELMLGG TDSKYYKGSL SYLNVTRKAY DATA SEQUENCE WQVHLDQVEV ASGLTLcKEG cEAIVDTGTS LMVGPVDEVR ELQKAIGAVP DATA SEQUENCE LIQGEYMIPc EKVSTLPAIT LKLGGKGYKL SPEDYTLKVS QAGKTLcLSG DATA SEQUENCE FMGMDIPPPS GPLWILGDVF IGRYYTVFDR DNNRVGFAEA A 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 106 G HA2 0.000 nan 3.960 nan 0.000 0.244 106 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 106 G C 0.000 174.900 174.900 0.000 0.000 0.946 106 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 107 G N -0.110 108.688 108.800 -0.003 0.000 2.825 107 G HA2 0.824 nan 3.960 nan 0.000 0.191 107 G HA3 0.824 nan 3.960 nan 0.000 0.191 107 G C -0.305 174.592 174.900 -0.004 0.000 1.708 107 G CA 0.550 45.650 45.100 -0.000 0.000 0.813 107 G HN 1.563 9.849 8.290 -0.007 0.000 0.799 108 V N -2.204 117.704 119.914 -0.011 0.000 3.074 108 V HA 0.290 nan 4.120 nan 0.000 0.314 108 V C -1.432 174.646 176.094 -0.027 0.000 1.117 108 V CA -0.957 61.332 62.300 -0.019 0.000 1.014 108 V CB 1.899 33.708 31.823 -0.023 0.000 1.057 108 V HN -0.356 7.826 8.190 -0.014 0.000 0.438 109 K N 1.355 121.736 120.400 -0.031 0.000 2.701 109 K HA 0.199 nan 4.320 nan 0.000 0.212 109 K C -0.868 175.710 176.600 -0.037 0.000 1.035 109 K CA -0.248 56.019 56.287 -0.032 0.000 1.048 109 K CB 0.781 33.266 32.500 -0.024 0.000 1.234 109 K HN 0.195 8.426 8.250 -0.032 0.000 0.540 110 V N 5.275 125.162 119.914 -0.044 0.000 2.341 110 V HA -0.085 nan 4.120 nan 0.000 0.248 110 V C -0.368 175.708 176.094 -0.030 0.000 1.107 110 V CA -0.522 61.751 62.300 -0.046 0.000 1.069 110 V CB -1.638 30.153 31.823 -0.054 0.000 1.177 110 V HN 0.384 8.545 8.190 -0.047 0.000 0.492 111 E N 6.127 126.314 120.200 -0.021 0.000 2.318 111 E HA 0.128 nan 4.350 nan 0.000 0.265 111 E C -0.396 176.206 176.600 0.003 0.000 1.069 111 E CA -0.206 56.190 56.400 -0.007 0.000 0.893 111 E CB 1.014 30.710 29.700 -0.006 0.000 1.076 111 E HN -0.404 8.094 8.360 -0.026 -0.154 0.414 112 R N -3.309 117.204 120.500 0.020 0.000 3.774 112 R HA -0.246 nan 4.340 nan 0.000 0.320 112 R C -0.895 175.432 176.300 0.045 0.000 1.175 112 R CA 0.631 56.749 56.100 0.030 0.000 0.849 112 R CB -1.857 28.451 30.300 0.015 0.000 1.365 112 R HN 0.341 8.626 8.270 0.025 0.000 0.502 113 Q N 0.355 120.193 119.800 0.063 0.000 2.361 113 Q HA 0.044 nan 4.340 nan 0.000 0.250 113 Q C -0.483 175.636 176.000 0.198 0.000 1.023 113 Q CA -0.432 55.424 55.803 0.089 0.000 0.915 113 Q CB 0.111 28.877 28.738 0.046 0.000 1.238 113 Q HN -0.148 8.133 8.270 0.057 0.023 0.451 114 V N 6.790 126.795 119.914 0.152 0.000 2.775 114 V HA 0.075 nan 4.120 nan 0.000 0.299 114 V C -0.747 175.500 176.094 0.255 0.000 1.062 114 V CA 0.740 63.129 62.300 0.148 0.000 1.063 114 V CB 0.430 32.277 31.823 0.041 0.000 0.994 114 V HN 0.446 8.693 8.190 0.095 0.000 0.483 115 F N 2.844 122.793 119.950 -0.001 0.000 2.831 115 F HA 0.360 nan 4.527 nan 0.000 0.318 115 F C -1.221 174.580 175.800 0.003 0.000 1.174 115 F CA -1.470 56.530 58.000 0.000 0.000 0.918 115 F CB 1.786 40.786 39.000 -0.001 0.000 1.364 115 F HN -0.293 7.881 8.300 -0.211 0.000 0.475 116 G N -0.426 108.379 108.800 0.009 0.000 2.452 116 G HA2 0.207 nan 3.960 nan 0.000 0.324 116 G HA3 0.207 nan 3.960 nan 0.000 0.324 116 G C -1.008 173.917 174.900 0.042 0.000 1.214 116 G CA -0.566 44.468 45.100 -0.109 0.000 0.947 116 G HN 0.038 8.495 8.290 0.279 0.000 0.478 117 E N 1.507 121.675 120.200 -0.055 0.000 2.129 117 E HA 0.097 nan 4.350 nan 0.000 0.268 117 E C -0.934 175.685 176.600 0.032 0.000 0.900 117 E CA -1.157 55.288 56.400 0.075 0.000 0.755 117 E CB 0.704 30.443 29.700 0.066 0.000 1.117 117 E HN 0.130 8.389 8.360 -0.168 0.000 0.410 118 A N 4.184 127.037 122.820 0.056 0.000 2.328 118 A HA 0.228 nan 4.320 nan 0.000 0.284 118 A C 0.661 178.265 177.584 0.033 0.000 1.160 118 A CA -0.129 51.931 52.037 0.039 0.000 0.818 118 A CB 0.698 19.727 19.000 0.048 0.000 1.087 118 A HN 0.346 8.545 8.150 0.082 0.000 0.504 119 T N -0.891 113.677 114.554 0.023 0.000 3.051 119 T HA -0.035 nan 4.350 nan 0.000 0.255 119 T C 0.409 175.124 174.700 0.024 0.000 1.085 119 T CA 0.500 62.612 62.100 0.020 0.000 1.109 119 T CB 0.335 69.211 68.868 0.012 0.000 0.921 119 T HN 0.236 8.487 8.240 0.019 0.000 0.488 120 K N 0.797 121.214 120.400 0.028 0.000 2.535 120 K HA 0.287 nan 4.320 nan 0.000 0.250 120 K C -2.020 174.605 176.600 0.043 0.000 0.948 120 K CA -0.636 55.671 56.287 0.032 0.000 0.796 120 K CB 1.960 34.476 32.500 0.028 0.000 1.216 120 K HN -0.028 8.205 8.250 0.028 0.033 0.432 121 Q N 3.153 122.983 119.800 0.050 0.000 2.456 121 Q HA 0.590 nan 4.340 nan 0.000 0.284 121 Q C -2.502 173.547 176.000 0.081 0.000 1.061 121 Q CA -2.270 53.573 55.803 0.066 0.000 0.799 121 Q CB 1.372 30.145 28.738 0.059 0.000 1.445 121 Q HN 0.237 8.534 8.270 0.046 0.000 0.411 122 P HA 0.033 nan 4.420 nan 0.000 0.271 122 P C -1.181 176.204 177.300 0.141 0.000 1.216 122 P CA 0.085 63.286 63.100 0.168 0.000 0.771 122 P CB 0.380 32.279 31.700 0.333 0.000 0.864 123 G N 2.729 111.601 108.800 0.119 0.000 2.588 123 G HA2 -0.050 nan 3.960 nan 0.000 0.278 123 G HA3 -0.050 nan 3.960 nan 0.000 0.278 123 G C 0.928 175.883 174.900 0.091 0.000 1.307 123 G CA -0.597 44.555 45.100 0.086 0.000 1.016 123 G HN -0.185 8.172 8.290 0.112 0.000 0.503 124 I N -1.139 119.461 120.570 0.050 0.000 2.707 124 I HA -0.323 nan 4.170 nan 0.000 0.266 124 I C 0.637 176.783 176.117 0.049 0.000 1.215 124 I CA 1.594 62.912 61.300 0.029 0.000 1.442 124 I CB -0.062 37.942 38.000 0.006 0.000 1.108 124 I HN 0.209 8.442 8.210 0.039 0.000 0.464 125 T N -6.154 108.453 114.554 0.089 0.000 3.057 125 T HA 0.046 nan 4.350 nan 0.000 0.254 125 T C 0.275 175.097 174.700 0.203 0.000 1.094 125 T CA 1.226 63.389 62.100 0.105 0.000 1.088 125 T CB -0.307 68.607 68.868 0.076 0.000 0.934 125 T HN -0.336 7.878 8.240 0.099 0.084 0.497 126 F N 2.323 122.287 119.950 0.024 0.000 2.553 126 F HA 0.273 nan 4.527 nan 0.000 0.282 126 F C -0.849 174.987 175.800 0.059 0.000 1.089 126 F CA -0.790 57.233 58.000 0.038 0.000 1.411 126 F CB 2.936 41.958 39.000 0.037 0.000 1.125 126 F HN -0.078 8.273 8.300 0.266 0.109 0.610 127 I N 0.395 120.984 120.570 0.032 0.000 2.420 127 I HA 0.055 nan 4.170 nan 0.000 0.282 127 I C -1.148 174.947 176.117 -0.037 0.000 1.019 127 I CA -1.135 60.133 61.300 -0.054 0.000 1.130 127 I CB 1.530 39.491 38.000 -0.065 0.000 1.262 127 I HN -0.366 7.917 8.210 0.122 0.000 0.454 128 A N 7.451 130.213 122.820 -0.098 0.000 2.586 128 A HA -0.148 nan 4.320 nan 0.000 0.231 128 A C 0.682 178.086 177.584 -0.300 0.000 1.055 128 A CA 0.699 52.576 52.037 -0.266 0.000 0.756 128 A CB 0.616 19.282 19.000 -0.556 0.000 0.988 128 A HN 0.495 8.630 8.150 -0.025 0.000 0.509 129 A N 2.749 125.433 122.820 -0.227 0.000 1.958 129 A HA -0.309 nan 4.320 nan 0.000 0.221 129 A C 1.260 178.715 177.584 -0.216 0.000 1.178 129 A CA 2.751 54.689 52.037 -0.165 0.000 0.642 129 A CB -0.451 18.477 19.000 -0.121 0.000 0.816 129 A HN 0.726 8.762 8.150 -0.190 0.000 0.453 130 K N -2.822 117.333 120.400 -0.408 0.000 2.283 130 K HA -0.078 nan 4.320 nan 0.000 0.202 130 K C -0.756 175.692 176.600 -0.254 0.000 1.048 130 K CA 1.046 57.078 56.287 -0.425 0.000 0.948 130 K CB 0.149 32.286 32.500 -0.605 0.000 0.742 130 K HN -0.176 7.754 8.250 -0.494 0.023 0.458 131 F N -0.755 119.184 119.950 -0.019 0.000 2.388 131 F HA 0.211 nan 4.527 nan 0.000 0.358 131 F C 0.369 176.154 175.800 -0.025 0.000 1.122 131 F CA -2.462 55.522 58.000 -0.026 0.000 1.056 131 F CB 0.366 39.341 39.000 -0.042 0.000 1.155 131 F HN -0.191 7.665 8.300 -0.495 0.147 0.461 132 D N 3.680 124.177 120.400 0.161 0.000 2.091 132 D HA -0.120 nan 4.640 nan 0.000 0.199 132 D C 0.246 176.590 176.300 0.072 0.000 0.980 132 D CA 1.293 55.344 54.000 0.084 0.000 0.831 132 D CB 0.389 41.224 40.800 0.058 0.000 0.987 132 D HN 0.678 9.158 8.370 0.184 0.000 0.460 133 G N -1.810 107.028 108.800 0.064 0.000 2.827 133 G HA2 0.046 nan 3.960 nan 0.000 0.296 133 G HA3 0.046 nan 3.960 nan 0.000 0.296 133 G C -1.853 173.051 174.900 0.007 0.000 1.362 133 G CA -0.880 44.243 45.100 0.038 0.000 0.809 133 G HN -0.235 8.096 8.290 0.069 0.000 0.522 134 I N 0.045 120.612 120.570 -0.006 0.000 2.569 134 I HA 0.228 nan 4.170 nan 0.000 0.296 134 I C -0.352 175.751 176.117 -0.022 0.000 1.028 134 I CA -0.282 60.997 61.300 -0.034 0.000 1.082 134 I CB 2.362 40.340 38.000 -0.037 0.000 1.264 134 I HN 0.091 8.309 8.210 0.013 0.000 0.429 135 L N 9.109 130.308 121.223 -0.040 0.000 2.387 135 L HA 0.284 nan 4.340 nan 0.000 0.259 135 L C -0.463 176.386 176.870 -0.034 0.000 1.050 135 L CA -0.533 54.286 54.840 -0.035 0.000 0.922 135 L CB 0.665 42.691 42.059 -0.056 0.000 1.280 135 L HN 0.086 8.281 8.230 -0.059 0.000 0.449 136 G N 2.507 111.301 108.800 -0.010 0.000 2.305 136 G HA2 0.070 nan 3.960 nan 0.000 0.243 136 G HA3 0.070 nan 3.960 nan 0.000 0.243 136 G C -0.681 174.214 174.900 -0.009 0.000 1.288 136 G CA -0.203 44.898 45.100 0.002 0.000 0.901 136 G HN -0.070 8.221 8.290 0.002 0.000 0.516 137 M N 2.210 121.807 119.600 -0.005 0.000 2.502 137 M HA 0.158 nan 4.480 nan 0.000 0.351 137 M C -0.584 175.799 176.300 0.139 0.000 1.118 137 M CA -0.844 54.439 55.300 -0.028 0.000 0.952 137 M CB 0.750 33.214 32.600 -0.226 0.000 1.424 137 M HN 0.144 8.444 8.290 0.017 0.000 0.529 138 A N -0.496 122.389 122.820 0.109 0.000 2.275 138 A HA 0.367 nan 4.320 nan 0.000 0.282 138 A C -0.825 176.716 177.584 -0.072 0.000 1.275 138 A CA -0.438 51.622 52.037 0.039 0.000 0.842 138 A CB 0.668 19.695 19.000 0.046 0.000 1.280 138 A HN -0.530 7.663 8.150 0.072 0.000 0.508 139 Y N -2.753 117.386 120.300 -0.268 0.000 2.326 139 Y HA -0.015 nan 4.550 nan 0.000 0.333 139 Y C 0.192 176.014 175.900 -0.131 0.000 1.240 139 Y CA -1.406 56.572 58.100 -0.204 0.000 1.365 139 Y CB -0.728 37.556 38.460 -0.293 0.000 1.289 139 Y HN -0.436 7.884 8.280 0.067 0.000 0.548 140 P HA -0.210 nan 4.420 nan 0.000 0.226 140 P C 1.337 178.636 177.300 -0.002 0.000 1.146 140 P CA 2.060 65.178 63.100 0.031 0.000 0.773 140 P CB 0.048 31.773 31.700 0.042 0.000 0.772 141 R N -1.031 119.459 120.500 -0.016 0.000 2.152 141 R HA -0.159 nan 4.340 nan 0.000 0.232 141 R C 0.844 177.085 176.300 -0.098 0.000 1.117 141 R CA 2.408 58.469 56.100 -0.065 0.000 0.981 141 R CB -0.046 30.191 30.300 -0.105 0.000 0.870 141 R HN 0.348 8.566 8.270 0.021 0.065 0.451 142 I N -8.274 112.217 120.570 -0.132 0.000 3.877 142 I HA 0.257 nan 4.170 nan 0.000 0.332 142 I C -1.338 174.733 176.117 -0.077 0.000 1.525 142 I CA -1.577 59.633 61.300 -0.150 0.000 1.146 142 I CB -0.272 37.539 38.000 -0.314 0.000 1.137 142 I HN -0.691 7.419 8.210 -0.123 0.026 0.424 143 S N 2.344 118.018 115.700 -0.043 0.000 2.455 143 S HA 0.017 nan 4.470 nan 0.000 0.278 143 S C 0.045 174.641 174.600 -0.007 0.000 1.216 143 S CA -0.526 57.665 58.200 -0.014 0.000 1.055 143 S CB 0.640 63.840 63.200 -0.001 0.000 0.939 143 S HN -0.535 7.579 8.310 -0.042 0.171 0.494 144 V N 7.777 127.693 119.914 0.003 0.000 2.694 144 V HA -0.315 nan 4.120 nan 0.000 0.306 144 V C 0.440 176.537 176.094 0.005 0.000 1.054 144 V CA 1.693 63.997 62.300 0.007 0.000 1.161 144 V CB -0.166 31.667 31.823 0.017 0.000 0.916 144 V HN 0.594 8.789 8.190 0.008 0.000 0.490 145 N N 1.880 120.581 118.700 0.002 0.000 2.815 145 N HA -0.436 nan 4.740 nan 0.000 0.247 145 N C -0.994 174.515 175.510 -0.001 0.000 1.030 145 N CA 1.231 54.281 53.050 -0.001 0.000 0.881 145 N CB -0.528 37.957 38.487 -0.003 0.000 1.134 145 N HN 0.596 8.977 8.380 0.002 0.000 0.582 146 N N -3.210 115.489 118.700 -0.001 0.000 2.671 146 N HA -0.384 nan 4.740 nan 0.000 0.261 146 N C -1.447 174.066 175.510 0.004 0.000 1.053 146 N CA 1.341 54.391 53.050 -0.001 0.000 0.732 146 N CB -1.120 37.365 38.487 -0.003 0.000 0.887 146 N HN -0.013 8.207 8.380 -0.002 0.159 0.546 147 V N -0.567 119.353 119.914 0.009 0.000 2.370 147 V HA 0.121 nan 4.120 nan 0.000 0.283 147 V C -0.137 175.970 176.094 0.021 0.000 1.023 147 V CA -1.582 60.727 62.300 0.016 0.000 0.857 147 V CB 1.977 33.813 31.823 0.021 0.000 0.985 147 V HN -0.665 7.531 8.190 0.009 0.000 0.443 148 L N 9.323 130.559 121.223 0.021 0.000 2.628 148 L HA -0.026 nan 4.340 nan 0.000 0.274 148 L C -1.997 174.892 176.870 0.031 0.000 1.209 148 L CA -1.447 53.407 54.840 0.024 0.000 0.930 148 L CB -0.377 41.693 42.059 0.018 0.000 1.183 148 L HN 0.304 8.545 8.230 0.018 0.000 0.492 149 P HA -0.036 nan 4.420 nan 0.000 0.269 149 P C -0.061 177.265 177.300 0.044 0.000 1.217 149 P CA -0.380 62.746 63.100 0.044 0.000 0.783 149 P CB 0.607 32.339 31.700 0.053 0.000 0.898 150 V N 1.023 120.960 119.914 0.039 0.000 2.219 150 V HA -0.450 nan 4.120 nan 0.000 0.248 150 V C 1.882 177.990 176.094 0.023 0.000 1.053 150 V CA 4.801 67.112 62.300 0.020 0.000 1.009 150 V CB -0.355 31.468 31.823 0.001 0.000 0.636 150 V HN 0.587 8.798 8.190 0.035 0.000 0.445 151 F N -0.065 119.839 119.950 -0.076 0.000 2.192 151 F HA -0.542 nan 4.527 nan 0.000 0.301 151 F C 1.265 177.061 175.800 -0.006 0.000 1.079 151 F CA 4.160 62.125 58.000 -0.058 0.000 1.303 151 F CB 0.032 38.976 39.000 -0.094 0.000 1.024 151 F HN 0.116 8.512 8.300 0.160 0.000 0.494 152 D N -2.461 117.978 120.400 0.066 0.000 2.178 152 D HA -0.352 nan 4.640 nan 0.000 0.201 152 D C 1.986 178.240 176.300 -0.077 0.000 0.980 152 D CA 4.232 58.237 54.000 0.008 0.000 0.842 152 D CB -0.431 40.400 40.800 0.052 0.000 0.948 152 D HN 0.153 8.501 8.370 0.133 0.102 0.472 153 N N -0.413 118.242 118.700 -0.075 0.000 2.300 153 N HA -0.121 nan 4.740 nan 0.000 0.179 153 N C 2.118 177.545 175.510 -0.139 0.000 1.016 153 N CA 2.518 55.522 53.050 -0.077 0.000 0.876 153 N CB 0.247 38.710 38.487 -0.041 0.000 0.979 153 N HN -0.302 7.931 8.380 -0.045 0.120 0.432 154 L N 0.737 121.821 121.223 -0.232 0.000 2.191 154 L HA -0.239 nan 4.340 nan 0.000 0.212 154 L C 1.086 177.739 176.870 -0.360 0.000 1.103 154 L CA 2.807 57.458 54.840 -0.314 0.000 0.769 154 L CB -0.361 41.428 42.059 -0.450 0.000 0.908 154 L HN -0.064 7.947 8.230 -0.224 0.085 0.438 155 M N -2.713 116.655 119.600 -0.388 0.000 2.248 155 M HA -0.295 nan 4.480 nan 0.000 0.265 155 M C 2.809 179.036 176.300 -0.121 0.000 1.079 155 M CA 3.758 58.903 55.300 -0.258 0.000 1.150 155 M CB -0.118 32.363 32.600 -0.198 0.000 1.366 155 M HN -0.372 7.537 8.290 -0.401 0.141 0.433 156 Q N -0.326 119.418 119.800 -0.095 0.000 2.170 156 Q HA -0.297 nan 4.340 nan 0.000 0.203 156 Q C 2.042 178.013 176.000 -0.049 0.000 0.976 156 Q CA 2.597 58.369 55.803 -0.051 0.000 0.858 156 Q CB -0.169 28.547 28.738 -0.037 0.000 0.907 156 Q HN -0.346 7.858 8.270 -0.111 0.000 0.433 157 Q N -2.794 116.967 119.800 -0.066 0.000 2.444 157 Q HA -0.035 nan 4.340 nan 0.000 0.206 157 Q C -0.989 174.980 176.000 -0.051 0.000 0.948 157 Q CA -0.121 55.650 55.803 -0.054 0.000 0.946 157 Q CB 0.340 29.042 28.738 -0.059 0.000 1.027 157 Q HN -0.681 7.515 8.270 -0.089 0.020 0.513 158 K N -2.231 118.134 120.400 -0.059 0.000 3.451 158 K HA -0.354 nan 4.320 nan 0.000 0.273 158 K C -0.118 176.456 176.600 -0.043 0.000 0.944 158 K CA 1.147 57.407 56.287 -0.044 0.000 0.734 158 K CB -1.983 30.502 32.500 -0.024 0.000 1.437 158 K HN -0.358 7.658 8.250 -0.071 0.192 0.454 159 L N -5.035 116.148 121.223 -0.066 0.000 2.585 159 L HA 0.010 nan 4.340 nan 0.000 0.226 159 L C -0.269 176.581 176.870 -0.033 0.000 1.113 159 L CA 0.723 55.532 54.840 -0.052 0.000 0.876 159 L CB 0.590 42.606 42.059 -0.072 0.000 1.072 159 L HN -0.598 7.573 8.230 -0.099 0.000 0.468 160 V N -6.617 113.279 119.914 -0.031 0.000 2.823 160 V HA 0.135 nan 4.120 nan 0.000 0.312 160 V C -0.717 175.396 176.094 0.032 0.000 1.072 160 V CA -2.154 60.154 62.300 0.014 0.000 0.937 160 V CB 1.511 33.362 31.823 0.047 0.000 1.013 160 V HN -0.769 7.344 8.190 -0.050 0.047 0.430 161 D N 1.220 121.649 120.400 0.048 0.000 2.097 161 D HA -0.169 nan 4.640 nan 0.000 0.195 161 D C 0.210 176.547 176.300 0.061 0.000 0.989 161 D CA 2.287 56.315 54.000 0.048 0.000 0.827 161 D CB 0.468 41.298 40.800 0.050 0.000 0.966 161 D HN 0.221 8.624 8.370 0.054 0.000 0.456 162 Q N -2.430 117.424 119.800 0.090 0.000 2.353 162 Q HA 0.186 nan 4.340 nan 0.000 0.268 162 Q C 0.018 176.128 176.000 0.184 0.000 1.045 162 Q CA -1.547 54.321 55.803 0.108 0.000 0.811 162 Q CB 2.708 31.504 28.738 0.097 0.000 1.305 162 Q HN -0.725 7.606 8.270 0.103 0.000 0.447 163 N N 5.914 124.741 118.700 0.212 0.000 3.259 163 N HA 0.144 nan 4.740 nan 0.000 0.308 163 N C -1.961 173.848 175.510 0.498 0.000 1.334 163 N CA 0.112 53.414 53.050 0.420 0.000 1.202 163 N CB -1.174 37.500 38.487 0.311 0.000 1.485 163 N HN 0.258 9.018 8.380 0.150 -0.289 0.549 164 I N -5.802 114.987 120.570 0.365 0.000 2.722 164 I HA 0.861 nan 4.170 nan 0.000 0.295 164 I C -2.687 173.479 176.117 0.081 0.000 1.161 164 I CA -1.524 59.798 61.300 0.038 0.000 1.032 164 I CB 3.646 41.613 38.000 -0.055 0.000 1.244 164 I HN -0.373 7.992 8.210 0.380 0.074 0.421 165 F N 0.693 120.542 119.950 -0.168 0.000 2.593 165 F HA 0.886 nan 4.527 nan 0.000 0.320 165 F C -2.192 173.529 175.800 -0.132 0.000 1.060 165 F CA -2.773 55.124 58.000 -0.171 0.000 0.940 165 F CB 2.967 41.766 39.000 -0.335 0.000 1.268 165 F HN 0.003 7.710 8.300 -0.988 0.000 0.475 166 S N -2.698 112.995 115.700 -0.010 0.000 2.627 166 S HA 0.772 nan 4.470 nan 0.000 0.283 166 S C -1.812 172.712 174.600 -0.127 0.000 1.127 166 S CA -1.213 56.935 58.200 -0.086 0.000 0.863 166 S CB 3.209 66.273 63.200 -0.227 0.000 1.121 166 S HN 0.685 8.896 8.310 0.007 0.104 0.479 167 F N -0.820 119.100 119.950 -0.051 0.000 2.529 167 F HA 0.647 nan 4.527 nan 0.000 0.320 167 F C -2.181 173.692 175.800 0.122 0.000 1.118 167 F CA -0.892 57.136 58.000 0.046 0.000 0.915 167 F CB 3.992 43.040 39.000 0.079 0.000 1.161 167 F HN 0.092 8.450 8.300 0.097 0.000 0.445 168 Y N 4.269 124.642 120.300 0.121 0.000 2.477 168 Y HA 0.366 nan 4.550 nan 0.000 0.347 168 Y C -3.007 172.925 175.900 0.054 0.000 0.981 168 Y CA -1.764 56.389 58.100 0.088 0.000 1.033 168 Y CB 4.232 42.519 38.460 -0.288 0.000 1.245 168 Y HN 0.500 8.912 8.280 0.220 0.000 0.455 169 L N 6.558 127.388 121.223 -0.654 0.000 2.446 169 L HA 0.392 nan 4.340 nan 0.000 0.268 169 L C -1.468 175.016 176.870 -0.643 0.000 0.975 169 L CA -0.254 54.310 54.840 -0.459 0.000 0.848 169 L CB 2.290 44.232 42.059 -0.194 0.000 1.225 169 L HN 0.317 8.064 8.230 -0.806 0.000 0.410 170 S N 5.665 121.112 115.700 -0.422 0.000 2.891 170 S HA 0.094 nan 4.470 nan 0.000 0.186 170 S C 0.023 174.582 174.600 -0.069 0.000 1.401 170 S CA -1.661 56.417 58.200 -0.203 0.000 1.035 170 S CB -0.347 62.901 63.200 0.081 0.000 1.293 170 S HN 0.400 8.587 8.310 -0.204 0.000 0.493 171 R N 4.862 125.309 120.500 -0.088 0.000 4.510 171 R HA -0.173 nan 4.340 nan 0.000 0.170 171 R C -1.284 175.002 176.300 -0.023 0.000 1.906 171 R CA 1.033 57.110 56.100 -0.038 0.000 1.492 171 R CB -1.380 28.895 30.300 -0.041 0.000 1.383 171 R HN 0.209 8.350 8.270 -0.140 0.045 0.823 172 D N 0.613 121.010 120.400 -0.005 0.000 2.574 172 D HA 0.114 nan 4.640 nan 0.000 0.166 172 D C -1.427 174.882 176.300 0.015 0.000 1.445 172 D CA 0.084 54.085 54.000 0.002 0.000 1.453 172 D CB -0.998 39.799 40.800 -0.004 0.000 1.814 172 D HN 0.349 8.683 8.370 0.006 0.039 0.327 173 P HA 0.097 nan 4.420 nan 0.000 0.288 173 P C -0.625 176.692 177.300 0.029 0.000 1.291 173 P CA -0.594 62.524 63.100 0.030 0.000 0.766 173 P CB 0.177 31.902 31.700 0.042 0.000 1.242 174 D N -2.008 118.409 120.400 0.028 0.000 2.504 174 D HA -0.120 nan 4.640 nan 0.000 0.243 174 D C -1.185 175.135 176.300 0.034 0.000 1.203 174 D CA -0.497 53.519 54.000 0.026 0.000 0.847 174 D CB -2.005 38.808 40.800 0.021 0.000 0.973 174 D HN 0.160 8.545 8.370 0.026 0.000 0.490 175 A N -0.888 121.958 122.820 0.044 0.000 2.371 175 A HA 0.011 nan 4.320 nan 0.000 0.257 175 A C 0.225 177.841 177.584 0.053 0.000 1.089 175 A CA 0.011 52.082 52.037 0.056 0.000 0.794 175 A CB 0.819 19.867 19.000 0.080 0.000 1.029 175 A HN -0.541 7.507 8.150 0.044 0.129 0.488 176 Q N 3.109 122.942 119.800 0.056 0.000 2.315 176 Q HA 0.008 nan 4.340 nan 0.000 0.289 176 Q C -1.038 174.998 176.000 0.060 0.000 1.044 176 Q CA -1.834 54.001 55.803 0.053 0.000 0.920 176 Q CB 0.146 28.916 28.738 0.053 0.000 1.214 176 Q HN 0.166 8.471 8.270 0.057 0.000 0.392 177 P HA -0.070 nan 4.420 nan 0.000 0.272 177 P C -0.524 176.821 177.300 0.075 0.000 1.230 177 P CA 0.052 63.191 63.100 0.066 0.000 0.788 177 P CB 0.397 32.140 31.700 0.072 0.000 0.949 178 G N 0.801 109.645 108.800 0.072 0.000 2.462 178 G HA2 -0.141 nan 3.960 nan 0.000 0.685 178 G HA3 -0.141 nan 3.960 nan 0.000 0.685 178 G C -1.799 173.138 174.900 0.061 0.000 1.295 178 G CA -0.860 44.278 45.100 0.063 0.000 0.941 178 G HN -0.292 8.037 8.290 0.065 0.000 0.554 179 G N -2.740 106.103 108.800 0.071 0.000 2.597 179 G HA2 0.576 nan 3.960 nan 0.000 0.317 179 G HA3 0.576 nan 3.960 nan 0.000 0.317 179 G C -1.271 173.692 174.900 0.103 0.000 1.230 179 G CA -0.728 44.433 45.100 0.101 0.000 0.996 179 G HN -0.086 8.241 8.290 0.062 0.000 0.490 180 E N 0.456 120.730 120.200 0.122 0.000 2.081 180 E HA 0.174 nan 4.350 nan 0.000 0.281 180 E C -1.321 175.243 176.600 -0.059 0.000 0.986 180 E CA -0.802 55.637 56.400 0.065 0.000 0.796 180 E CB 1.429 31.199 29.700 0.117 0.000 1.085 180 E HN 0.322 8.777 8.360 0.159 0.000 0.398 181 L N 5.441 126.576 121.223 -0.147 0.000 2.295 181 L HA 0.565 nan 4.340 nan 0.000 0.285 181 L C -1.498 175.260 176.870 -0.187 0.000 1.035 181 L CA -0.742 53.859 54.840 -0.398 0.000 0.806 181 L CB 1.586 43.336 42.059 -0.516 0.000 1.214 181 L HN 0.360 8.541 8.230 -0.081 0.000 0.426 182 M N 8.129 127.645 119.600 -0.140 0.000 2.093 182 M HA 0.327 nan 4.480 nan 0.000 0.297 182 M C -2.163 174.174 176.300 0.063 0.000 0.938 182 M CA -0.855 54.462 55.300 0.028 0.000 0.920 182 M CB 2.460 35.159 32.600 0.165 0.000 1.517 182 M HN 0.728 8.881 8.290 -0.229 0.000 0.427 183 L N 5.593 126.867 121.223 0.084 0.000 2.276 183 L HA 0.259 nan 4.340 nan 0.000 0.286 183 L C 0.518 177.510 176.870 0.204 0.000 1.061 183 L CA 0.072 55.025 54.840 0.187 0.000 0.807 183 L CB 0.189 42.346 42.059 0.163 0.000 1.177 183 L HN 0.614 8.878 8.230 0.057 0.000 0.429 184 G N 1.753 110.718 108.800 0.275 0.000 2.195 184 G HA2 -0.230 nan 3.960 nan 0.000 0.224 184 G HA3 -0.230 nan 3.960 nan 0.000 0.224 184 G C -1.375 173.618 174.900 0.156 0.000 0.990 184 G CA 0.129 45.352 45.100 0.206 0.000 0.639 184 G HN 0.871 9.279 8.290 0.366 0.101 0.514 185 G N -3.132 105.759 108.800 0.151 0.000 2.356 185 G HA2 0.012 nan 3.960 nan 0.000 0.281 185 G HA3 0.012 nan 3.960 nan 0.000 0.281 185 G C -3.575 171.427 174.900 0.170 0.000 1.246 185 G CA 0.627 45.809 45.100 0.136 0.000 0.889 185 G HN -0.844 7.544 8.290 0.163 0.000 0.486 186 T N -5.041 109.640 114.554 0.211 0.000 2.865 186 T HA 0.588 nan 4.350 nan 0.000 0.294 186 T C -1.887 173.009 174.700 0.327 0.000 1.119 186 T CA -1.846 60.463 62.100 0.348 0.000 1.007 186 T CB 3.053 72.135 68.868 0.357 0.000 1.225 186 T HN -0.252 8.096 8.240 0.180 0.000 0.515 187 D N 0.901 121.547 120.400 0.411 0.000 2.936 187 D HA 0.390 nan 4.640 nan 0.000 0.238 187 D C 0.719 176.985 176.300 -0.056 0.000 1.248 187 D CA -0.436 53.603 54.000 0.065 0.000 0.903 187 D CB 3.338 43.995 40.800 -0.239 0.000 1.544 187 D HN -0.310 8.471 8.370 0.686 0.000 0.543 188 S N 5.361 120.957 115.700 -0.173 0.000 2.440 188 S HA -0.317 nan 4.470 nan 0.000 0.238 188 S C 1.536 175.789 174.600 -0.578 0.000 1.010 188 S CA 2.742 60.622 58.200 -0.534 0.000 0.972 188 S CB 0.032 62.981 63.200 -0.418 0.000 0.774 188 S HN 0.650 8.898 8.310 -0.104 0.000 0.501 189 K N 0.580 120.659 120.400 -0.535 0.000 2.442 189 K HA -0.249 nan 4.320 nan 0.000 0.198 189 K C 0.952 177.219 176.600 -0.556 0.000 1.044 189 K CA 2.212 58.183 56.287 -0.527 0.000 0.948 189 K CB -0.488 31.675 32.500 -0.561 0.000 0.762 189 K HN -0.659 7.471 8.250 -0.515 -0.189 0.472 190 Y N -3.724 116.267 120.300 -0.515 0.000 2.301 190 Y HA -0.182 nan 4.550 nan 0.000 0.295 190 Y C -0.407 175.313 175.900 -0.299 0.000 1.119 190 Y CA 1.048 58.725 58.100 -0.706 0.000 1.162 190 Y CB 0.565 38.371 38.460 -1.090 0.000 1.046 190 Y HN -0.494 7.343 8.280 -0.623 0.069 0.538 191 Y N -4.837 115.330 120.300 -0.221 0.000 2.654 191 Y HA 0.690 nan 4.550 nan 0.000 0.328 191 Y C -0.907 174.993 175.900 0.001 0.000 1.174 191 Y CA -3.531 54.552 58.100 -0.029 0.000 1.293 191 Y CB 2.069 40.576 38.460 0.078 0.000 1.464 191 Y HN -0.889 7.237 8.280 -0.257 0.000 0.559 192 K N 1.081 121.611 120.400 0.218 0.000 2.378 192 K HA 0.258 nan 4.320 nan 0.000 0.252 192 K C -0.550 176.168 176.600 0.198 0.000 0.931 192 K CA -0.934 55.409 56.287 0.093 0.000 0.794 192 K CB 3.107 35.657 32.500 0.083 0.000 1.181 192 K HN 0.288 8.773 8.250 0.392 0.000 0.425 193 G N 4.034 112.901 108.800 0.112 0.000 2.552 193 G HA2 -0.325 nan 3.960 nan 0.000 0.267 193 G HA3 -0.325 nan 3.960 nan 0.000 0.267 193 G C -1.192 173.854 174.900 0.242 0.000 1.174 193 G CA 0.395 45.580 45.100 0.143 0.000 0.955 193 G HN 0.204 8.508 8.290 0.023 0.000 0.546 194 S N 1.603 117.454 115.700 0.252 0.000 2.618 194 S HA 0.142 nan 4.470 nan 0.000 0.277 194 S C -0.846 173.797 174.600 0.073 0.000 1.138 194 S CA -0.837 57.514 58.200 0.252 0.000 0.844 194 S CB 2.441 65.729 63.200 0.148 0.000 1.127 194 S HN 0.090 8.514 8.310 0.190 0.000 0.474 195 L N 0.222 121.375 121.223 -0.118 0.000 2.380 195 L HA 0.162 nan 4.340 nan 0.000 0.273 195 L C 0.019 176.690 176.870 -0.333 0.000 1.138 195 L CA -0.116 54.485 54.840 -0.398 0.000 0.832 195 L CB 0.682 42.284 42.059 -0.761 0.000 1.124 195 L HN 0.223 8.430 8.230 -0.038 0.000 0.454 196 S N 2.999 118.534 115.700 -0.275 0.000 2.448 196 S HA 0.266 nan 4.470 nan 0.000 0.320 196 S C -1.368 173.104 174.600 -0.213 0.000 1.071 196 S CA -1.322 56.825 58.200 -0.089 0.000 1.113 196 S CB 0.784 64.072 63.200 0.148 0.000 0.972 196 S HN 0.638 8.680 8.310 -0.252 0.117 0.465 197 Y N 5.967 126.248 120.300 -0.032 0.000 2.335 197 Y HA 0.437 nan 4.550 nan 0.000 0.323 197 Y C -0.288 175.591 175.900 -0.036 0.000 1.224 197 Y CA 0.329 58.370 58.100 -0.099 0.000 1.241 197 Y CB 1.447 39.849 38.460 -0.096 0.000 1.235 197 Y HN 0.095 8.428 8.280 0.089 0.000 0.492 198 L N 1.856 123.155 121.223 0.126 0.000 2.580 198 L HA 0.224 nan 4.340 nan 0.000 0.266 198 L C -1.805 175.121 176.870 0.092 0.000 0.955 198 L CA -0.436 54.468 54.840 0.107 0.000 0.886 198 L CB 4.119 46.254 42.059 0.127 0.000 1.263 198 L HN 0.867 9.063 8.230 0.102 0.095 0.406 199 N N 1.995 120.749 118.700 0.091 0.000 2.518 199 N HA 0.101 nan 4.740 nan 0.000 0.266 199 N C -0.871 174.716 175.510 0.128 0.000 1.196 199 N CA -0.506 52.604 53.050 0.100 0.000 0.947 199 N CB 0.237 38.764 38.487 0.067 0.000 1.098 199 N HN -0.075 8.354 8.380 0.082 0.000 0.450 200 V N 2.218 122.242 119.914 0.183 0.000 2.458 200 V HA -0.090 nan 4.120 nan 0.000 0.287 200 V C 0.403 176.533 176.094 0.059 0.000 1.009 200 V CA 0.733 63.137 62.300 0.174 0.000 1.091 200 V CB 0.110 32.068 31.823 0.225 0.000 0.960 200 V HN 0.444 8.653 8.190 0.228 0.118 0.476 201 T N 6.820 121.414 114.554 0.067 0.000 3.072 201 T HA -0.060 nan 4.350 nan 0.000 0.266 201 T C 0.087 174.782 174.700 -0.009 0.000 1.127 201 T CA 1.222 63.346 62.100 0.039 0.000 1.107 201 T CB -0.272 68.648 68.868 0.086 0.000 0.910 201 T HN 0.664 8.885 8.240 0.108 0.084 0.513 202 R N 1.451 121.916 120.500 -0.058 0.000 2.523 202 R HA 0.121 nan 4.340 nan 0.000 0.278 202 R C -2.035 174.084 176.300 -0.303 0.000 1.150 202 R CA 0.091 56.118 56.100 -0.122 0.000 0.987 202 R CB 2.505 32.782 30.300 -0.038 0.000 1.232 202 R HN -0.697 7.487 8.270 -0.051 0.055 0.424 203 K N 7.386 127.506 120.400 -0.466 0.000 2.111 203 K HA 0.039 nan 4.320 nan 0.000 0.249 203 K C -1.135 175.085 176.600 -0.633 0.000 1.157 203 K CA 0.268 55.978 56.287 -0.961 0.000 1.048 203 K CB -0.972 30.939 32.500 -0.981 0.000 1.498 203 K HN 0.573 8.624 8.250 -0.332 0.000 0.344 204 A N 3.271 125.781 122.820 -0.517 0.000 1.749 204 A HA 0.324 nan 4.320 nan 0.000 0.187 204 A C -1.396 175.950 177.584 -0.396 0.000 1.742 204 A CA 0.674 52.464 52.037 -0.412 0.000 1.133 204 A CB 1.695 20.447 19.000 -0.414 0.000 0.996 204 A HN -0.223 7.572 8.150 -0.532 0.036 0.585 205 Y N -3.345 116.900 120.300 -0.092 0.000 2.618 205 Y HA 0.287 nan 4.550 nan 0.000 0.326 205 Y C 0.220 176.100 175.900 -0.033 0.000 1.168 205 Y CA -2.273 55.825 58.100 -0.004 0.000 1.269 205 Y CB 2.376 40.880 38.460 0.074 0.000 1.388 205 Y HN -0.636 7.650 8.280 0.010 0.000 0.528 206 W N 0.243 121.815 121.300 0.454 0.000 1.836 206 W HA 0.013 nan 4.660 nan 0.000 0.449 206 W C -1.039 175.648 176.519 0.280 0.000 0.787 206 W CA -0.746 56.851 57.345 0.421 0.000 1.729 206 W CB -1.054 28.726 29.460 0.534 0.000 1.802 206 W HN 0.677 9.220 8.180 0.605 0.000 0.257 207 Q N 3.429 123.426 119.800 0.328 0.000 2.314 207 Q HA 0.537 nan 4.340 nan 0.000 0.257 207 Q C -1.490 174.630 176.000 0.200 0.000 0.975 207 Q CA -0.244 55.694 55.803 0.226 0.000 0.933 207 Q CB 1.258 30.088 28.738 0.154 0.000 1.195 207 Q HN -0.002 8.355 8.270 0.193 0.030 0.426 208 V N -0.494 119.532 119.914 0.186 0.000 2.864 208 V HA 0.624 nan 4.120 nan 0.000 0.314 208 V C -2.245 173.923 176.094 0.124 0.000 1.073 208 V CA -3.626 58.773 62.300 0.166 0.000 0.956 208 V CB 2.895 34.827 31.823 0.181 0.000 1.023 208 V HN 0.827 9.122 8.190 0.176 0.000 0.435 209 H N 4.530 123.624 119.070 0.040 0.000 2.864 209 H HA 0.205 nan 4.556 nan 0.000 0.281 209 H C -1.326 173.979 175.328 -0.039 0.000 1.093 209 H CA -0.311 55.740 56.048 0.005 0.000 1.453 209 H CB 0.342 30.109 29.762 0.010 0.000 1.462 209 H HN 0.397 8.814 8.280 0.228 0.000 0.480 210 L N 6.708 127.721 121.223 -0.350 0.000 2.331 210 L HA 0.015 nan 4.340 nan 0.000 0.278 210 L C -0.770 175.873 176.870 -0.378 0.000 1.106 210 L CA -0.560 54.067 54.840 -0.355 0.000 0.824 210 L CB 1.832 43.590 42.059 -0.501 0.000 1.142 210 L HN 0.144 8.124 8.230 -0.416 0.000 0.443 211 D N 6.505 126.795 120.400 -0.183 0.000 2.137 211 D HA -0.067 nan 4.640 nan 0.000 0.202 211 D C -0.772 175.436 176.300 -0.154 0.000 0.970 211 D CA 2.998 56.946 54.000 -0.087 0.000 0.837 211 D CB 0.946 41.747 40.800 0.002 0.000 0.981 211 D HN 0.031 8.314 8.370 -0.145 0.000 0.475 212 Q N -6.361 113.308 119.800 -0.219 0.000 2.776 212 Q HA 0.207 nan 4.340 nan 0.000 0.289 212 Q C -2.550 173.277 176.000 -0.289 0.000 0.912 212 Q CA -0.228 55.439 55.803 -0.227 0.000 0.789 212 Q CB 4.159 32.822 28.738 -0.124 0.000 1.498 212 Q HN -0.827 7.301 8.270 -0.236 0.000 0.408 213 V N 1.750 121.492 119.914 -0.287 0.000 2.447 213 V HA 0.462 nan 4.120 nan 0.000 0.292 213 V C -2.125 173.875 176.094 -0.157 0.000 1.021 213 V CA -0.611 61.526 62.300 -0.272 0.000 0.850 213 V CB 1.498 33.074 31.823 -0.412 0.000 1.005 213 V HN 0.795 8.749 8.190 -0.239 0.093 0.426 214 E N 6.107 126.242 120.200 -0.108 0.000 2.158 214 E HA 0.580 nan 4.350 nan 0.000 0.271 214 E C -1.108 175.451 176.600 -0.068 0.000 0.911 214 E CA -1.944 54.410 56.400 -0.077 0.000 0.767 214 E CB 1.909 31.579 29.700 -0.050 0.000 1.120 214 E HN -0.121 8.181 8.360 -0.097 0.000 0.405 215 V N 4.316 124.180 119.914 -0.083 0.000 2.334 215 V HA 0.281 nan 4.120 nan 0.000 0.267 215 V C 0.473 176.544 176.094 -0.037 0.000 1.040 215 V CA -1.091 61.158 62.300 -0.084 0.000 0.866 215 V CB -1.639 30.100 31.823 -0.140 0.000 1.019 215 V HN 0.689 8.828 8.190 -0.085 0.000 0.468 216 A N 8.581 131.399 122.820 -0.003 0.000 1.925 216 A HA -0.414 nan 4.320 nan 0.000 0.244 216 A C 2.033 179.618 177.584 0.002 0.000 1.963 216 A CA 2.971 55.014 52.037 0.011 0.000 0.753 216 A CB -0.488 18.535 19.000 0.037 0.000 0.842 216 A HN 0.861 9.017 8.150 0.010 0.000 0.530 217 S N -3.369 112.330 115.700 -0.001 0.000 3.054 217 S HA -0.170 nan 4.470 nan 0.000 0.243 217 S C 0.704 175.295 174.600 -0.015 0.000 1.013 217 S CA -0.302 57.895 58.200 -0.005 0.000 1.119 217 S CB -0.946 62.252 63.200 -0.003 0.000 0.838 217 S HN 0.164 8.457 8.310 -0.001 0.016 0.505 218 G N 0.945 109.734 108.800 -0.018 0.000 3.211 218 G HA2 -0.348 nan 3.960 nan 0.000 0.206 218 G HA3 -0.348 nan 3.960 nan 0.000 0.206 218 G C -1.199 173.682 174.900 -0.031 0.000 1.418 218 G CA 0.024 45.111 45.100 -0.022 0.000 0.958 218 G HN -0.038 8.124 8.290 -0.016 0.118 0.567 219 L N 1.664 122.862 121.223 -0.041 0.000 2.593 219 L HA -0.111 nan 4.340 nan 0.000 0.287 219 L C -1.283 175.554 176.870 -0.055 0.000 1.243 219 L CA 1.238 56.048 54.840 -0.050 0.000 0.890 219 L CB 0.619 42.638 42.059 -0.068 0.000 1.134 219 L HN -0.265 7.940 8.230 -0.041 0.000 0.502 220 T N 8.483 123.009 114.554 -0.047 0.000 2.963 220 T HA 0.456 nan 4.350 nan 0.000 0.328 220 T C -0.820 173.854 174.700 -0.042 0.000 1.048 220 T CA -0.301 61.768 62.100 -0.051 0.000 1.033 220 T CB 0.280 69.122 68.868 -0.043 0.000 1.010 220 T HN -0.116 8.101 8.240 -0.038 0.000 0.469 221 L N 3.607 124.799 121.223 -0.051 0.000 2.439 221 L HA 0.400 nan 4.340 nan 0.000 0.259 221 L C 0.486 177.317 176.870 -0.065 0.000 1.129 221 L CA -1.395 53.444 54.840 -0.001 0.000 0.803 221 L CB 1.406 43.518 42.059 0.087 0.000 1.161 221 L HN 0.807 8.991 8.230 -0.076 0.000 0.462 222 c N 0.321 118.924 118.600 0.006 0.000 4.028 222 c HA -0.464 nan 4.570 nan 0.000 0.300 222 c C 1.676 175.714 174.090 -0.087 0.000 1.399 222 c CA 0.733 57.017 56.329 -0.075 0.000 2.051 222 c CB -2.130 40.158 42.510 -0.370 0.000 1.318 222 c HN 0.668 9.323 8.230 0.133 -0.345 0.696 223 K N 0.262 120.641 120.400 -0.034 0.000 2.074 223 K HA -0.342 nan 4.320 nan 0.000 0.209 223 K C 0.001 176.589 176.600 -0.020 0.000 1.048 223 K CA 2.400 58.670 56.287 -0.029 0.000 0.926 223 K CB -0.135 32.359 32.500 -0.010 0.000 0.713 223 K HN 0.572 8.821 8.250 -0.005 -0.003 0.444 224 E N -3.639 116.558 120.200 -0.005 0.000 2.476 224 E HA 0.132 nan 4.350 nan 0.000 0.196 224 E C -1.042 175.580 176.600 0.037 0.000 1.029 224 E CA -0.848 55.562 56.400 0.017 0.000 0.896 224 E CB 0.390 30.107 29.700 0.028 0.000 1.012 224 E HN -0.151 8.189 8.360 -0.001 0.020 0.475 225 G N -1.535 107.256 108.800 -0.016 0.000 2.907 225 G HA2 -0.325 nan 3.960 nan 0.000 0.686 225 G HA3 -0.325 nan 3.960 nan 0.000 0.686 225 G C -1.267 173.531 174.900 -0.170 0.000 1.115 225 G CA -0.346 44.720 45.100 -0.057 0.000 0.760 225 G HN -0.631 7.454 8.290 -0.056 0.172 0.620 226 c N -1.933 116.392 118.600 -0.458 0.000 3.335 226 c HA 0.485 nan 4.570 nan 0.000 0.356 226 c C -1.962 171.860 174.090 -0.448 0.000 1.570 226 c CA -2.652 53.495 56.329 -0.303 0.000 1.271 226 c CB 4.047 46.520 42.510 -0.062 0.000 1.873 226 c HN 1.053 8.811 8.230 -0.603 0.110 0.439 227 E N -0.891 119.244 120.200 -0.109 0.000 2.204 227 E HA 0.721 nan 4.350 nan 0.000 0.276 227 E C -1.535 175.099 176.600 0.056 0.000 0.974 227 E CA -0.954 55.429 56.400 -0.029 0.000 0.815 227 E CB 2.845 32.582 29.700 0.060 0.000 1.119 227 E HN 0.272 8.653 8.360 0.035 0.000 0.393 228 A N 1.164 124.003 122.820 0.031 0.000 2.594 228 A HA 0.947 nan 4.320 nan 0.000 0.295 228 A C -2.723 174.908 177.584 0.079 0.000 1.071 228 A CA -0.963 51.111 52.037 0.062 0.000 0.685 228 A CB 3.725 22.707 19.000 -0.029 0.000 1.285 228 A HN 0.841 9.005 8.150 0.024 0.000 0.405 229 I N -4.192 116.424 120.570 0.076 0.000 2.530 229 I HA 0.838 nan 4.170 nan 0.000 0.297 229 I C -1.632 174.593 176.117 0.180 0.000 1.011 229 I CA -2.304 59.081 61.300 0.141 0.000 1.107 229 I CB 2.910 40.931 38.000 0.034 0.000 1.285 229 I HN 0.312 8.554 8.210 0.052 0.000 0.436 230 V N 3.650 123.758 119.914 0.323 0.000 2.432 230 V HA 0.164 nan 4.120 nan 0.000 0.271 230 V C -0.907 175.385 176.094 0.330 0.000 1.046 230 V CA -0.305 62.203 62.300 0.347 0.000 0.945 230 V CB -0.877 31.221 31.823 0.459 0.000 0.992 230 V HN 0.232 8.681 8.190 0.432 0.000 0.471 231 D N 8.419 128.933 120.400 0.190 0.000 2.542 231 D HA 0.262 nan 4.640 nan 0.000 0.252 231 D C -0.158 176.152 176.300 0.018 0.000 1.222 231 D CA -0.971 53.092 54.000 0.105 0.000 0.895 231 D CB 3.151 43.992 40.800 0.070 0.000 1.207 231 D HN 0.411 8.879 8.370 0.163 0.000 0.558 232 T N -0.186 114.313 114.554 -0.092 0.000 3.055 232 T HA 0.069 nan 4.350 nan 0.000 0.265 232 T C 1.031 175.654 174.700 -0.129 0.000 1.111 232 T CA 0.777 62.763 62.100 -0.190 0.000 1.118 232 T CB -0.319 68.259 68.868 -0.484 0.000 0.909 232 T HN 0.309 8.472 8.240 -0.128 0.000 0.501 233 G N 2.660 111.409 108.800 -0.085 0.000 2.430 233 G HA2 -0.029 nan 3.960 nan 0.000 0.216 233 G HA3 -0.029 nan 3.960 nan 0.000 0.216 233 G C -0.469 174.416 174.900 -0.024 0.000 1.146 233 G CA 0.322 45.385 45.100 -0.062 0.000 0.793 233 G HN -0.125 8.290 8.290 -0.067 -0.166 0.537 234 T N 2.048 116.600 114.554 -0.004 0.000 2.869 234 T HA 0.154 nan 4.350 nan 0.000 0.295 234 T C -0.101 174.603 174.700 0.006 0.000 0.987 234 T CA 0.554 62.661 62.100 0.012 0.000 1.109 234 T CB 1.121 69.996 68.868 0.012 0.000 0.932 234 T HN -0.707 7.732 8.240 -0.003 -0.201 0.518 235 S N 4.152 119.860 115.700 0.014 0.000 2.427 235 S HA -0.089 nan 4.470 nan 0.000 0.224 235 S C -0.818 173.778 174.600 -0.006 0.000 1.047 235 S CA 1.397 59.604 58.200 0.011 0.000 0.953 235 S CB 0.091 63.307 63.200 0.027 0.000 0.824 235 S HN 0.346 8.672 8.310 0.026 0.000 0.502 236 L N 0.045 121.261 121.223 -0.012 0.000 2.461 236 L HA 0.068 nan 4.340 nan 0.000 0.259 236 L C -0.483 176.322 176.870 -0.107 0.000 1.248 236 L CA 0.498 55.306 54.840 -0.054 0.000 0.823 236 L CB 0.976 43.020 42.059 -0.024 0.000 1.111 236 L HN -0.621 7.612 8.230 0.006 0.000 0.516 237 M N -0.955 118.511 119.600 -0.224 0.000 2.158 237 M HA 0.235 nan 4.480 nan 0.000 0.326 237 M C -1.228 175.003 176.300 -0.116 0.000 1.014 237 M CA -1.688 53.445 55.300 -0.278 0.000 0.961 237 M CB -1.567 30.531 32.600 -0.837 0.000 1.327 237 M HN -0.073 8.063 8.290 -0.256 0.000 0.393 238 V N 3.787 123.669 119.914 -0.053 0.000 2.732 238 V HA 0.548 nan 4.120 nan 0.000 0.297 238 V C -0.852 175.137 176.094 -0.175 0.000 1.060 238 V CA -0.773 61.481 62.300 -0.077 0.000 1.038 238 V CB 0.590 32.363 31.823 -0.084 0.000 1.003 238 V HN -0.125 8.037 8.190 -0.048 0.000 0.481 239 G N 2.053 110.603 108.800 -0.417 0.000 2.646 239 G HA2 0.446 nan 3.960 nan 0.000 0.291 239 G HA3 0.446 nan 3.960 nan 0.000 0.291 239 G C -3.810 170.574 174.900 -0.861 0.000 1.445 239 G CA -1.163 43.252 45.100 -1.140 0.000 0.814 239 G HN 0.161 8.272 8.290 -0.298 0.000 0.495 240 P HA -0.204 nan 4.420 nan 0.000 0.259 240 P C -0.091 177.016 177.300 -0.323 0.000 1.163 240 P CA 0.212 63.034 63.100 -0.464 0.000 0.760 240 P CB -0.029 31.450 31.700 -0.368 0.000 0.762 241 V N 5.703 125.498 119.914 -0.197 0.000 2.324 241 V HA -0.481 nan 4.120 nan 0.000 0.250 241 V C 1.068 177.106 176.094 -0.092 0.000 1.060 241 V CA 3.970 66.200 62.300 -0.117 0.000 1.042 241 V CB -0.054 31.732 31.823 -0.063 0.000 0.650 241 V HN -0.176 8.066 8.190 -0.182 -0.161 0.450 242 D N -3.328 117.021 120.400 -0.084 0.000 2.178 242 D HA -0.303 nan 4.640 nan 0.000 0.201 242 D C 1.932 178.199 176.300 -0.055 0.000 0.980 242 D CA 3.526 57.494 54.000 -0.054 0.000 0.842 242 D CB 0.037 40.814 40.800 -0.039 0.000 0.948 242 D HN 0.456 8.770 8.370 -0.094 0.000 0.472 243 E N -0.600 119.553 120.200 -0.078 0.000 2.042 243 E HA -0.149 nan 4.350 nan 0.000 0.189 243 E C 2.636 179.192 176.600 -0.073 0.000 0.974 243 E CA 2.258 58.637 56.400 -0.035 0.000 0.806 243 E CB 0.517 30.244 29.700 0.045 0.000 0.769 243 E HN -0.530 7.631 8.360 -0.122 0.126 0.451 244 V N 1.080 120.905 119.914 -0.148 0.000 2.380 244 V HA -0.436 nan 4.120 nan 0.000 0.251 244 V C 1.902 177.878 176.094 -0.197 0.000 1.063 244 V CA 4.374 66.574 62.300 -0.167 0.000 1.055 244 V CB -1.102 30.621 31.823 -0.166 0.000 0.657 244 V HN 0.472 8.530 8.190 -0.221 0.000 0.455 245 R N -1.616 118.800 120.500 -0.140 0.000 2.103 245 R HA -0.439 nan 4.340 nan 0.000 0.242 245 R C 2.444 178.662 176.300 -0.137 0.000 1.142 245 R CA 3.825 59.852 56.100 -0.121 0.000 0.960 245 R CB -0.354 29.931 30.300 -0.025 0.000 0.858 245 R HN 0.112 8.308 8.270 -0.106 0.011 0.439 246 E N -2.030 118.105 120.200 -0.108 0.000 2.204 246 E HA -0.217 nan 4.350 nan 0.000 0.194 246 E C 2.195 178.707 176.600 -0.146 0.000 0.989 246 E CA 2.068 58.410 56.400 -0.097 0.000 0.824 246 E CB -0.610 29.051 29.700 -0.064 0.000 0.756 246 E HN -0.367 7.842 8.360 -0.091 0.096 0.477 247 L N 0.286 121.383 121.223 -0.209 0.000 2.044 247 L HA -0.270 nan 4.340 nan 0.000 0.205 247 L C 1.645 178.313 176.870 -0.337 0.000 1.075 247 L CA 3.004 57.657 54.840 -0.311 0.000 0.747 247 L CB -0.052 41.736 42.059 -0.452 0.000 0.903 247 L HN -0.331 7.625 8.230 -0.196 0.156 0.435 248 Q N -2.468 117.101 119.800 -0.384 0.000 2.226 248 Q HA -0.368 nan 4.340 nan 0.000 0.204 248 Q C 2.691 178.565 176.000 -0.211 0.000 0.975 248 Q CA 3.112 58.673 55.803 -0.403 0.000 0.866 248 Q CB -0.673 27.531 28.738 -0.890 0.000 0.915 248 Q HN 0.079 8.109 8.270 -0.401 0.000 0.440 249 K N 0.022 120.324 120.400 -0.163 0.000 2.025 249 K HA -0.229 nan 4.320 nan 0.000 0.207 249 K C 2.717 179.276 176.600 -0.067 0.000 1.049 249 K CA 2.879 59.121 56.287 -0.074 0.000 0.933 249 K CB -0.336 32.132 32.500 -0.054 0.000 0.714 249 K HN -0.509 7.524 8.250 -0.194 0.101 0.438 250 A N -0.696 122.065 122.820 -0.098 0.000 1.972 250 A HA -0.134 nan 4.320 nan 0.000 0.219 250 A C 1.548 179.094 177.584 -0.062 0.000 1.169 250 A CA 2.769 54.758 52.037 -0.081 0.000 0.635 250 A CB -0.284 18.649 19.000 -0.111 0.000 0.810 250 A HN -0.246 7.758 8.150 -0.129 0.069 0.446 251 I N -10.200 110.322 120.570 -0.080 0.000 3.875 251 I HA 0.177 nan 4.170 nan 0.000 0.329 251 I C -0.257 175.876 176.117 0.026 0.000 1.295 251 I CA -1.473 59.821 61.300 -0.009 0.000 1.129 251 I CB -0.491 37.513 38.000 0.006 0.000 1.008 251 I HN -0.336 7.678 8.210 -0.131 0.118 0.413 252 G N 0.112 108.916 108.800 0.006 0.000 2.338 252 G HA2 -0.518 nan 3.960 nan 0.000 0.296 252 G HA3 -0.518 nan 3.960 nan 0.000 0.296 252 G C -1.247 173.689 174.900 0.061 0.000 1.040 252 G CA 0.447 45.566 45.100 0.031 0.000 1.004 252 G HN -0.306 7.771 8.290 -0.020 0.201 0.509 253 A N -0.297 122.565 122.820 0.071 0.000 2.305 253 A HA 0.611 nan 4.320 nan 0.000 0.322 253 A C -0.743 176.977 177.584 0.227 0.000 1.187 253 A CA -1.050 51.074 52.037 0.146 0.000 0.825 253 A CB 2.011 21.103 19.000 0.153 0.000 1.164 253 A HN -0.227 7.939 8.150 0.025 0.000 0.498 254 V N 2.634 122.661 119.914 0.188 0.000 2.488 254 V HA 0.218 nan 4.120 nan 0.000 0.277 254 V C -1.419 174.732 176.094 0.095 0.000 1.046 254 V CA -3.133 59.248 62.300 0.136 0.000 0.986 254 V CB 0.191 32.054 31.823 0.067 0.000 0.989 254 V HN 0.595 8.781 8.190 0.153 0.095 0.475 255 P HA 0.413 nan 4.420 nan 0.000 0.286 255 P C -1.640 175.522 177.300 -0.230 0.000 1.269 255 P CA -0.675 62.219 63.100 -0.342 0.000 0.787 255 P CB 0.393 31.974 31.700 -0.198 0.000 0.920 256 L N 3.213 124.266 121.223 -0.283 0.000 2.334 256 L HA 0.318 nan 4.340 nan 0.000 0.273 256 L C 1.557 178.331 176.870 -0.160 0.000 1.013 256 L CA -1.592 53.154 54.840 -0.158 0.000 0.816 256 L CB 2.196 44.191 42.059 -0.107 0.000 1.278 256 L HN 0.293 8.159 8.230 -0.440 0.100 0.431 257 I N 3.190 123.700 120.570 -0.101 0.000 2.145 257 I HA -0.495 nan 4.170 nan 0.000 0.244 257 I C 0.772 176.842 176.117 -0.078 0.000 1.075 257 I CA 2.716 63.968 61.300 -0.081 0.000 1.332 257 I CB 0.305 38.273 38.000 -0.053 0.000 1.033 257 I HN 0.511 8.673 8.210 -0.081 0.000 0.410 258 Q N -1.596 118.162 119.800 -0.070 0.000 2.488 258 Q HA -0.055 nan 4.340 nan 0.000 0.211 258 Q C 0.460 176.420 176.000 -0.067 0.000 0.967 258 Q CA 0.411 56.180 55.803 -0.057 0.000 0.926 258 Q CB 0.311 29.024 28.738 -0.041 0.000 0.992 258 Q HN 0.420 8.649 8.270 -0.068 0.000 0.506 259 G N -2.388 106.347 108.800 -0.108 0.000 2.205 259 G HA2 -0.315 nan 3.960 nan 0.000 0.180 259 G HA3 -0.315 nan 3.960 nan 0.000 0.180 259 G C -0.659 174.151 174.900 -0.149 0.000 1.004 259 G CA -0.431 44.596 45.100 -0.122 0.000 0.670 259 G HN 0.019 8.043 8.290 -0.133 0.186 0.496 260 E N -1.298 118.810 120.200 -0.153 0.000 2.369 260 E HA 0.061 nan 4.350 nan 0.000 0.255 260 E C -1.131 175.317 176.600 -0.254 0.000 1.172 260 E CA -0.298 56.041 56.400 -0.101 0.000 0.932 260 E CB 1.069 30.742 29.700 -0.045 0.000 1.040 260 E HN -0.671 7.604 8.360 -0.141 0.000 0.454 261 Y N -0.812 119.509 120.300 0.036 0.000 2.422 261 Y HA 0.317 nan 4.550 nan 0.000 0.344 261 Y C -1.433 174.499 175.900 0.053 0.000 1.097 261 Y CA -1.179 56.946 58.100 0.042 0.000 1.307 261 Y CB 0.802 39.292 38.460 0.050 0.000 1.102 261 Y HN 0.188 8.551 8.280 0.138 0.000 0.520 262 M N 2.134 121.830 119.600 0.161 0.000 2.368 262 M HA 0.691 nan 4.480 nan 0.000 0.311 262 M C -1.040 175.333 176.300 0.123 0.000 1.168 262 M CA -1.543 53.827 55.300 0.117 0.000 1.044 262 M CB 2.024 34.663 32.600 0.065 0.000 1.506 262 M HN 0.561 8.921 8.290 0.118 0.000 0.475 263 I N -0.751 119.877 120.570 0.097 0.000 2.692 263 I HA 0.227 nan 4.170 nan 0.000 0.293 263 I C -2.636 173.517 176.117 0.060 0.000 1.200 263 I CA -2.617 58.734 61.300 0.086 0.000 1.036 263 I CB 3.273 41.333 38.000 0.100 0.000 1.258 263 I HN -0.159 8.102 8.210 0.085 0.000 0.421 264 P HA 0.096 nan 4.420 nan 0.000 0.264 264 P C 0.343 177.661 177.300 0.030 0.000 1.229 264 P CA -0.183 62.938 63.100 0.035 0.000 0.780 264 P CB -0.183 31.535 31.700 0.030 0.000 0.808 265 c N 4.687 123.303 118.600 0.026 0.000 2.392 265 c HA -0.490 nan 4.570 nan 0.000 0.276 265 c C 1.624 175.722 174.090 0.013 0.000 1.212 265 c CA 3.398 59.739 56.329 0.020 0.000 1.791 265 c CB -1.134 41.387 42.510 0.017 0.000 2.063 265 c HN 0.782 9.028 8.230 0.027 0.000 0.481 266 E N -0.432 119.776 120.200 0.013 0.000 2.028 266 E HA -0.246 nan 4.350 nan 0.000 0.191 266 E C 1.684 178.290 176.600 0.009 0.000 0.988 266 E CA 2.607 59.012 56.400 0.009 0.000 0.799 266 E CB -0.929 28.777 29.700 0.010 0.000 0.755 266 E HN 0.329 8.674 8.360 0.015 0.024 0.447 267 K N -0.097 120.312 120.400 0.015 0.000 2.059 267 K HA -0.284 nan 4.320 nan 0.000 0.212 267 K C 2.491 179.101 176.600 0.015 0.000 1.050 267 K CA 2.861 59.159 56.287 0.019 0.000 0.927 267 K CB -0.303 32.214 32.500 0.027 0.000 0.714 267 K HN -0.371 7.831 8.250 0.018 0.059 0.447 268 V N -0.968 118.954 119.914 0.014 0.000 2.277 268 V HA -0.500 nan 4.120 nan 0.000 0.261 268 V C 1.866 177.945 176.094 -0.024 0.000 1.091 268 V CA 3.682 65.981 62.300 -0.001 0.000 1.090 268 V CB -0.637 31.180 31.823 -0.009 0.000 0.704 268 V HN 0.478 8.675 8.190 0.019 0.004 0.455 269 S N -3.137 112.550 115.700 -0.021 0.000 2.894 269 S HA -0.097 nan 4.470 nan 0.000 0.231 269 S C -0.017 174.576 174.600 -0.012 0.000 0.971 269 S CA 2.282 60.466 58.200 -0.026 0.000 1.005 269 S CB -1.148 62.041 63.200 -0.018 0.000 0.799 269 S HN -0.125 8.160 8.310 -0.012 0.018 0.527 270 T N -4.756 109.797 114.554 -0.001 0.000 3.041 270 T HA 0.149 nan 4.350 nan 0.000 0.276 270 T C 0.215 174.933 174.700 0.030 0.000 0.948 270 T CA -0.710 61.398 62.100 0.013 0.000 0.885 270 T CB 0.707 69.585 68.868 0.016 0.000 1.175 270 T HN -0.443 7.683 8.240 0.001 0.115 0.529 271 L N 2.463 123.712 121.223 0.043 0.000 2.467 271 L HA 0.294 nan 4.340 nan 0.000 0.270 271 L C -1.050 175.892 176.870 0.119 0.000 1.205 271 L CA -1.731 53.167 54.840 0.096 0.000 0.828 271 L CB -0.972 41.187 42.059 0.168 0.000 1.101 271 L HN -0.621 7.621 8.230 0.020 0.000 0.479 272 P HA -0.029 nan 4.420 nan 0.000 0.267 272 P C -1.246 176.165 177.300 0.186 0.000 1.200 272 P CA -0.274 62.890 63.100 0.107 0.000 0.772 272 P CB 0.626 32.361 31.700 0.057 0.000 0.855 273 A N 2.017 124.928 122.820 0.152 0.000 2.386 273 A HA 0.493 nan 4.320 nan 0.000 0.248 273 A C -0.906 176.786 177.584 0.180 0.000 1.082 273 A CA -0.316 51.849 52.037 0.212 0.000 0.789 273 A CB 1.203 20.289 19.000 0.142 0.000 1.025 273 A HN 0.365 8.577 8.150 0.103 0.000 0.490 274 I N -0.290 120.421 120.570 0.236 0.000 2.389 274 I HA 0.284 nan 4.170 nan 0.000 0.288 274 I C -1.235 174.976 176.117 0.157 0.000 0.999 274 I CA -0.827 60.544 61.300 0.119 0.000 1.129 274 I CB 2.015 40.040 38.000 0.042 0.000 1.288 274 I HN 0.173 8.601 8.210 0.362 0.000 0.444 275 T N 9.538 124.141 114.554 0.082 0.000 2.821 275 T HA 0.451 nan 4.350 nan 0.000 0.307 275 T C -0.761 173.958 174.700 0.031 0.000 1.034 275 T CA -0.738 61.414 62.100 0.087 0.000 0.953 275 T CB -0.037 68.861 68.868 0.051 0.000 0.968 275 T HN 0.799 9.058 8.240 0.032 0.000 0.462 276 L N 7.099 128.353 121.223 0.052 0.000 2.380 276 L HA 0.183 nan 4.340 nan 0.000 0.273 276 L C -1.304 175.574 176.870 0.014 0.000 1.138 276 L CA -0.059 54.728 54.840 -0.087 0.000 0.832 276 L CB 0.802 42.680 42.059 -0.301 0.000 1.124 276 L HN 0.825 9.068 8.230 0.153 0.079 0.454 277 K N 5.327 125.690 120.400 -0.063 0.000 2.291 277 K HA 0.323 nan 4.320 nan 0.000 0.242 277 K C -1.488 175.128 176.600 0.027 0.000 1.098 277 K CA -0.940 55.352 56.287 0.008 0.000 1.036 277 K CB -0.163 32.315 32.500 -0.037 0.000 1.655 277 K HN 0.279 8.434 8.250 -0.159 0.000 0.432 278 L N 4.232 125.555 121.223 0.166 0.000 2.264 278 L HA 0.245 nan 4.340 nan 0.000 0.289 278 L C 0.475 177.493 176.870 0.247 0.000 1.044 278 L CA -0.626 54.284 54.840 0.116 0.000 0.807 278 L CB 0.977 42.934 42.059 -0.171 0.000 1.192 278 L HN -0.101 8.375 8.230 0.411 0.000 0.425 279 G N 4.359 113.250 108.800 0.152 0.000 2.323 279 G HA2 -0.435 nan 3.960 nan 0.000 0.292 279 G HA3 -0.435 nan 3.960 nan 0.000 0.292 279 G C 0.364 175.330 174.900 0.110 0.000 1.040 279 G CA 0.337 45.522 45.100 0.141 0.000 0.942 279 G HN 0.978 9.383 8.290 0.114 -0.046 0.506 280 G N -2.276 106.572 108.800 0.081 0.000 2.234 280 G HA2 -0.462 nan 3.960 nan 0.000 0.260 280 G HA3 -0.462 nan 3.960 nan 0.000 0.260 280 G C -0.600 174.312 174.900 0.020 0.000 0.987 280 G CA 0.112 45.239 45.100 0.044 0.000 0.625 280 G HN -0.055 8.549 8.290 0.081 -0.266 0.532 281 K N 0.553 120.970 120.400 0.028 0.000 2.221 281 K HA 0.294 nan 4.320 nan 0.000 0.243 281 K C -1.813 174.709 176.600 -0.131 0.000 0.968 281 K CA -1.384 54.846 56.287 -0.095 0.000 0.846 281 K CB 2.628 35.013 32.500 -0.192 0.000 1.141 281 K HN -0.503 7.625 8.250 0.105 0.184 0.434 282 G N -1.934 106.730 108.800 -0.226 0.000 2.437 282 G HA2 0.410 nan 3.960 nan 0.000 0.319 282 G HA3 0.410 nan 3.960 nan 0.000 0.319 282 G C -1.464 173.229 174.900 -0.345 0.000 1.158 282 G CA -1.082 43.937 45.100 -0.134 0.000 0.899 282 G HN -0.032 8.119 8.290 -0.231 0.000 0.502 283 Y N -0.717 119.555 120.300 -0.048 0.000 2.373 283 Y HA 0.094 nan 4.550 nan 0.000 0.327 283 Y C -1.168 174.819 175.900 0.144 0.000 1.036 283 Y CA -1.061 57.000 58.100 -0.064 0.000 1.265 283 Y CB 2.515 40.767 38.460 -0.347 0.000 1.108 283 Y HN 0.696 9.000 8.280 0.198 0.095 0.471 284 K N 2.929 123.513 120.400 0.308 0.000 2.154 284 K HA 0.684 nan 4.320 nan 0.000 0.264 284 K C -1.534 175.282 176.600 0.361 0.000 1.008 284 K CA -0.937 55.522 56.287 0.287 0.000 0.937 284 K CB 1.582 34.192 32.500 0.183 0.000 1.002 284 K HN 0.083 8.486 8.250 0.255 0.000 0.469 285 L N 0.972 122.403 121.223 0.347 0.000 2.406 285 L HA 0.528 nan 4.340 nan 0.000 0.272 285 L C -0.857 176.227 176.870 0.356 0.000 0.980 285 L CA -1.537 53.523 54.840 0.367 0.000 0.831 285 L CB 2.293 44.644 42.059 0.486 0.000 1.253 285 L HN 0.734 9.058 8.230 0.327 0.102 0.406 286 S N 3.697 119.491 115.700 0.157 0.000 2.632 286 S HA 0.475 nan 4.470 nan 0.000 0.267 286 S C -0.808 173.597 174.600 -0.324 0.000 1.276 286 S CA -2.378 55.834 58.200 0.020 0.000 0.998 286 S CB 0.391 63.576 63.200 -0.026 0.000 0.953 286 S HN 0.528 9.227 8.310 0.112 -0.322 0.547 287 P HA -0.080 nan 4.420 nan 0.000 0.219 287 P C 1.206 178.142 177.300 -0.607 0.000 1.146 287 P CA 2.592 65.049 63.100 -1.072 0.000 0.808 287 P CB -0.007 31.439 31.700 -0.423 0.000 0.779 288 E N -3.085 116.933 120.200 -0.304 0.000 2.150 288 E HA -0.247 nan 4.350 nan 0.000 0.193 288 E C 0.957 177.473 176.600 -0.141 0.000 0.985 288 E CA 2.708 59.008 56.400 -0.167 0.000 0.814 288 E CB -0.854 28.788 29.700 -0.098 0.000 0.752 288 E HN -0.341 7.839 8.360 -0.246 0.033 0.466 289 D N -1.587 118.726 120.400 -0.146 0.000 2.107 289 D HA -0.127 nan 4.640 nan 0.000 0.204 289 D C 1.797 178.111 176.300 0.024 0.000 0.978 289 D CA 2.607 56.584 54.000 -0.038 0.000 0.852 289 D CB 0.569 41.392 40.800 0.038 0.000 1.008 289 D HN -0.612 7.496 8.370 -0.188 0.149 0.458 290 Y N -4.975 115.375 120.300 0.085 0.000 2.632 290 Y HA -0.041 nan 4.550 nan 0.000 0.301 290 Y C -0.541 175.417 175.900 0.096 0.000 1.172 290 Y CA -0.342 57.811 58.100 0.089 0.000 1.328 290 Y CB -0.835 37.757 38.460 0.220 0.000 1.016 290 Y HN -0.418 7.825 8.280 -0.061 0.000 0.529 291 T N 2.619 117.197 114.554 0.040 0.000 2.743 291 T HA 0.120 nan 4.350 nan 0.000 0.293 291 T C -0.564 174.176 174.700 0.067 0.000 0.945 291 T CA 0.478 62.629 62.100 0.084 0.000 1.030 291 T CB 0.158 69.015 68.868 -0.017 0.000 0.912 291 T HN -0.702 7.400 8.240 -0.132 0.059 0.483 292 L N 7.162 128.442 121.223 0.095 0.000 2.331 292 L HA 0.199 nan 4.340 nan 0.000 0.278 292 L C -0.643 176.259 176.870 0.055 0.000 1.106 292 L CA -0.205 54.676 54.840 0.068 0.000 0.824 292 L CB 0.710 42.816 42.059 0.077 0.000 1.142 292 L HN 0.748 9.057 8.230 0.131 0.000 0.443 293 K N 3.085 123.508 120.400 0.039 0.000 2.323 293 K HA 0.575 nan 4.320 nan 0.000 0.259 293 K C -1.185 175.434 176.600 0.031 0.000 0.947 293 K CA -0.857 55.449 56.287 0.032 0.000 0.819 293 K CB 1.707 34.219 32.500 0.020 0.000 1.109 293 K HN 0.074 8.345 8.250 0.035 0.000 0.429 294 V N 6.697 126.629 119.914 0.031 0.000 2.540 294 V HA 0.294 nan 4.120 nan 0.000 0.302 294 V C -1.529 174.579 176.094 0.022 0.000 1.035 294 V CA -0.998 61.319 62.300 0.028 0.000 0.873 294 V CB 3.361 35.203 31.823 0.032 0.000 0.992 294 V HN 0.875 9.084 8.190 0.032 0.000 0.428 295 S N 4.145 119.856 115.700 0.019 0.000 2.578 295 S HA 0.605 nan 4.470 nan 0.000 0.301 295 S C -1.638 172.970 174.600 0.013 0.000 1.091 295 S CA -1.201 57.008 58.200 0.015 0.000 1.032 295 S CB 1.358 64.565 63.200 0.012 0.000 1.064 295 S HN 0.246 8.568 8.310 0.019 0.000 0.508 296 Q N 5.452 125.259 119.800 0.011 0.000 2.334 296 Q HA 0.145 nan 4.340 nan 0.000 0.249 296 Q C -0.584 175.421 176.000 0.008 0.000 0.909 296 Q CA 0.217 56.026 55.803 0.010 0.000 0.823 296 Q CB 2.119 30.863 28.738 0.011 0.000 1.353 296 Q HN 0.865 9.031 8.270 0.011 0.111 0.433 297 A N 5.679 128.503 122.820 0.006 0.000 2.798 297 A HA -0.332 nan 4.320 nan 0.000 0.282 297 A C 0.081 177.669 177.584 0.006 0.000 1.464 297 A CA 1.099 53.139 52.037 0.005 0.000 0.844 297 A CB -1.589 17.414 19.000 0.005 0.000 1.006 297 A HN 0.983 9.137 8.150 0.006 0.000 0.577 298 G N -6.189 102.615 108.800 0.006 0.000 2.195 298 G HA2 -0.404 nan 3.960 nan 0.000 0.246 298 G HA3 -0.404 nan 3.960 nan 0.000 0.246 298 G C -0.519 174.385 174.900 0.007 0.000 0.984 298 G CA -0.265 44.839 45.100 0.006 0.000 0.633 298 G HN 0.249 8.503 8.290 0.007 0.040 0.525 299 K N 3.955 124.360 120.400 0.008 0.000 2.248 299 K HA 0.236 nan 4.320 nan 0.000 0.281 299 K C -0.948 175.659 176.600 0.011 0.000 1.054 299 K CA -1.553 54.739 56.287 0.009 0.000 0.903 299 K CB 0.704 33.209 32.500 0.009 0.000 1.077 299 K HN -0.127 7.931 8.250 0.008 0.196 0.474 300 T N 6.722 121.284 114.554 0.012 0.000 2.907 300 T HA 0.544 nan 4.350 nan 0.000 0.284 300 T C -0.829 173.883 174.700 0.018 0.000 1.004 300 T CA -0.266 61.843 62.100 0.015 0.000 1.063 300 T CB 1.045 69.922 68.868 0.014 0.000 0.992 300 T HN 0.190 8.437 8.240 0.012 0.000 0.483 301 L N 4.340 125.577 121.223 0.023 0.000 2.386 301 L HA 0.461 nan 4.340 nan 0.000 0.271 301 L C -1.318 175.573 176.870 0.035 0.000 0.993 301 L CA -1.172 53.685 54.840 0.028 0.000 0.819 301 L CB 3.131 45.206 42.059 0.028 0.000 1.294 301 L HN 1.091 9.225 8.230 0.023 0.110 0.414 302 c N 2.360 120.986 118.600 0.042 0.000 2.382 302 c HA 0.910 nan 4.570 nan 0.000 0.327 302 c C -1.020 173.114 174.090 0.074 0.000 1.250 302 c CA -1.012 55.349 56.329 0.053 0.000 1.707 302 c CB 0.926 43.463 42.510 0.046 0.000 2.272 302 c HN 0.582 8.837 8.230 0.041 0.000 0.506 303 L N 1.254 122.533 121.223 0.093 0.000 2.327 303 L HA 0.663 nan 4.340 nan 0.000 0.258 303 L C -1.543 175.425 176.870 0.165 0.000 1.024 303 L CA -1.498 53.417 54.840 0.125 0.000 0.825 303 L CB 3.011 45.135 42.059 0.109 0.000 1.386 303 L HN 0.966 9.248 8.230 0.086 0.000 0.417 304 S N 0.304 116.131 115.700 0.211 0.000 2.600 304 S HA 0.155 nan 4.470 nan 0.000 0.265 304 S C 0.791 175.536 174.600 0.242 0.000 1.325 304 S CA 0.405 58.765 58.200 0.268 0.000 1.002 304 S CB 1.041 64.389 63.200 0.246 0.000 0.921 304 S HN 0.124 8.569 8.310 0.224 0.000 0.554 305 G N 0.873 109.849 108.800 0.293 0.000 2.986 305 G HA2 0.317 nan 3.960 nan 0.000 0.213 305 G HA3 0.317 nan 3.960 nan 0.000 0.213 305 G C -1.114 173.774 174.900 -0.019 0.000 1.156 305 G CA -0.200 44.973 45.100 0.122 0.000 0.763 305 G HN -0.120 8.447 8.290 0.461 0.000 0.547 306 F N 0.466 120.437 119.950 0.035 0.000 2.394 306 F HA 0.489 nan 4.527 nan 0.000 0.340 306 F C -1.018 174.773 175.800 -0.015 0.000 1.105 306 F CA 0.049 58.037 58.000 -0.020 0.000 1.124 306 F CB 1.873 40.815 39.000 -0.098 0.000 1.145 306 F HN -0.691 7.817 8.300 0.434 0.052 0.505 307 M N 3.024 122.702 119.600 0.131 0.000 2.378 307 M HA 0.317 nan 4.480 nan 0.000 0.289 307 M C -2.427 173.877 176.300 0.006 0.000 1.136 307 M CA -0.667 54.684 55.300 0.085 0.000 0.917 307 M CB 4.171 36.808 32.600 0.061 0.000 1.669 307 M HN -0.023 8.325 8.290 0.097 0.000 0.461 308 G N 2.829 111.624 108.800 -0.008 0.000 2.384 308 G HA2 0.322 nan 3.960 nan 0.000 0.316 308 G HA3 0.322 nan 3.960 nan 0.000 0.316 308 G C -1.968 172.884 174.900 -0.079 0.000 1.160 308 G CA -0.767 44.273 45.100 -0.100 0.000 0.936 308 G HN 0.186 8.507 8.290 0.053 0.000 0.455 309 M N 4.080 123.607 119.600 -0.123 0.000 2.378 309 M HA 0.196 nan 4.480 nan 0.000 0.289 309 M C -2.058 174.167 176.300 -0.125 0.000 1.136 309 M CA -1.123 54.122 55.300 -0.092 0.000 0.917 309 M CB 4.377 36.938 32.600 -0.065 0.000 1.669 309 M HN -0.152 8.030 8.290 -0.180 0.000 0.461 310 D N 5.079 125.421 120.400 -0.098 0.000 2.365 310 D HA 0.141 nan 4.640 nan 0.000 0.237 310 D C -0.883 175.371 176.300 -0.076 0.000 1.190 310 D CA -0.049 53.892 54.000 -0.099 0.000 0.867 310 D CB -0.057 40.698 40.800 -0.076 0.000 1.050 310 D HN 0.131 8.456 8.370 -0.075 0.000 0.491 311 I N 5.099 125.617 120.570 -0.087 0.000 2.436 311 I HA 0.110 nan 4.170 nan 0.000 0.289 311 I C -1.581 174.514 176.117 -0.037 0.000 1.083 311 I CA -2.981 58.283 61.300 -0.060 0.000 1.372 311 I CB -0.505 37.449 38.000 -0.076 0.000 1.408 311 I HN -0.123 8.016 8.210 -0.118 0.000 0.516 312 P HA 0.352 nan 4.420 nan 0.000 0.272 312 P C -2.219 175.085 177.300 0.007 0.000 1.230 312 P CA -1.349 61.747 63.100 -0.006 0.000 0.788 312 P CB -0.368 31.332 31.700 -0.001 0.000 0.949 313 P HA 0.267 nan 4.420 nan 0.000 0.276 313 P C -1.687 175.626 177.300 0.023 0.000 1.252 313 P CA -0.780 62.331 63.100 0.018 0.000 0.802 313 P CB -0.847 30.861 31.700 0.013 0.000 1.035 314 P HA 0.162 nan 4.420 nan 0.000 0.249 314 P C -0.100 177.226 177.300 0.044 0.000 1.229 314 P CA 0.679 63.796 63.100 0.029 0.000 0.788 314 P CB 0.410 32.123 31.700 0.023 0.000 1.072 315 S N 1.025 116.762 115.700 0.062 0.000 2.335 315 S HA -0.211 nan 4.470 nan 0.000 0.216 315 S C 1.344 175.984 174.600 0.066 0.000 1.032 315 S CA 1.573 59.834 58.200 0.102 0.000 1.000 315 S CB -0.296 63.002 63.200 0.164 0.000 0.928 315 S HN -0.148 8.135 8.310 0.057 0.062 0.434 316 G N 2.219 111.039 108.800 0.033 0.000 2.653 316 G HA2 0.039 nan 3.960 nan 0.000 0.265 316 G HA3 0.039 nan 3.960 nan 0.000 0.265 316 G C -2.034 172.874 174.900 0.015 0.000 1.237 316 G CA -1.749 43.353 45.100 0.005 0.000 0.946 316 G HN -0.504 7.725 8.290 0.034 0.082 0.522 317 P HA 0.035 nan 4.420 nan 0.000 0.276 317 P C -2.132 175.171 177.300 0.005 0.000 1.244 317 P CA -0.116 62.973 63.100 -0.018 0.000 0.801 317 P CB 0.941 32.631 31.700 -0.016 0.000 1.006 318 L N -5.593 115.611 121.223 -0.032 0.000 2.703 318 L HA 0.425 nan 4.340 nan 0.000 0.257 318 L C -1.185 175.683 176.870 -0.004 0.000 0.923 318 L CA -0.095 54.770 54.840 0.042 0.000 0.936 318 L CB 2.197 44.267 42.059 0.018 0.000 1.482 318 L HN -0.264 7.905 8.230 -0.102 0.000 0.432 319 W N -0.052 121.190 121.300 -0.096 0.000 2.184 319 W HA 0.149 nan 4.660 nan 0.000 0.338 319 W C -0.027 176.424 176.519 -0.113 0.000 1.257 319 W CA -0.592 56.693 57.345 -0.100 0.000 1.243 319 W CB 1.379 30.768 29.460 -0.119 0.000 1.122 319 W HN 0.445 8.958 8.180 0.555 0.000 0.585 320 I N 1.969 122.586 120.570 0.078 0.000 2.460 320 I HA 0.164 nan 4.170 nan 0.000 0.277 320 I C -0.909 175.215 176.117 0.012 0.000 1.057 320 I CA -1.028 60.279 61.300 0.013 0.000 1.179 320 I CB 0.190 38.167 38.000 -0.039 0.000 1.329 320 I HN 0.635 8.771 8.210 0.063 0.113 0.478 321 L N 7.944 129.168 121.223 0.003 0.000 2.638 321 L HA 0.005 nan 4.340 nan 0.000 0.273 321 L C -0.482 176.417 176.870 0.049 0.000 1.147 321 L CA 0.161 54.974 54.840 -0.046 0.000 0.941 321 L CB -1.960 40.023 42.059 -0.127 0.000 1.251 321 L HN 0.089 8.330 8.230 0.019 0.000 0.479 322 G N 3.047 111.865 108.800 0.029 0.000 2.543 322 G HA2 0.301 nan 3.960 nan 0.000 0.267 322 G HA3 0.301 nan 3.960 nan 0.000 0.267 322 G C -0.453 174.490 174.900 0.072 0.000 1.406 322 G CA -0.934 44.190 45.100 0.040 0.000 1.048 322 G HN -0.144 8.133 8.290 -0.021 0.000 0.548 323 D N -1.268 119.149 120.400 0.030 0.000 2.350 323 D HA -0.223 nan 4.640 nan 0.000 0.216 323 D C 2.635 178.952 176.300 0.029 0.000 0.968 323 D CA 2.296 56.307 54.000 0.019 0.000 0.894 323 D CB -0.406 40.387 40.800 -0.012 0.000 0.909 323 D HN -0.136 8.241 8.370 0.012 0.000 0.520 324 V N 0.315 120.254 119.914 0.041 0.000 2.295 324 V HA -0.352 nan 4.120 nan 0.000 0.246 324 V C 1.406 177.568 176.094 0.114 0.000 1.049 324 V CA 3.978 66.308 62.300 0.050 0.000 1.024 324 V CB -0.761 31.068 31.823 0.010 0.000 0.648 324 V HN -0.392 7.765 8.190 0.028 0.050 0.447 325 F N -0.453 119.484 119.950 -0.022 0.000 2.094 325 F HA -0.254 nan 4.527 nan 0.000 0.291 325 F C 1.739 177.588 175.800 0.083 0.000 1.109 325 F CA 2.410 60.431 58.000 0.035 0.000 1.221 325 F CB 0.898 39.863 39.000 -0.058 0.000 1.014 325 F HN -0.885 7.548 8.300 0.222 0.000 0.473 326 I N -1.622 119.007 120.570 0.098 0.000 2.145 326 I HA -0.627 nan 4.170 nan 0.000 0.244 326 I C 2.525 178.604 176.117 -0.064 0.000 1.075 326 I CA 3.739 65.043 61.300 0.007 0.000 1.332 326 I CB -0.494 37.549 38.000 0.070 0.000 1.033 326 I HN 0.402 8.761 8.210 0.249 0.000 0.410 327 G N -2.824 105.936 108.800 -0.067 0.000 2.499 327 G HA2 -0.324 nan 3.960 nan 0.000 0.221 327 G HA3 -0.324 nan 3.960 nan 0.000 0.221 327 G C 0.092 174.871 174.900 -0.202 0.000 1.109 327 G CA 1.525 46.558 45.100 -0.112 0.000 0.749 327 G HN -0.018 8.115 8.290 -0.029 0.140 0.568 328 R N -1.403 118.919 120.500 -0.297 0.000 2.112 328 R HA -0.038 nan 4.340 nan 0.000 0.216 328 R C -0.611 175.220 176.300 -0.781 0.000 1.080 328 R CA 1.291 57.051 56.100 -0.566 0.000 0.996 328 R CB 1.370 31.236 30.300 -0.723 0.000 0.902 328 R HN -0.388 7.579 8.270 -0.244 0.156 0.449 329 Y N -4.487 115.675 120.300 -0.230 0.000 2.335 329 Y HA 0.327 nan 4.550 nan 0.000 0.338 329 Y C -0.797 175.123 175.900 0.033 0.000 0.977 329 Y CA -2.555 55.471 58.100 -0.122 0.000 1.114 329 Y CB 1.224 39.491 38.460 -0.322 0.000 1.182 329 Y HN -0.754 7.237 8.280 -0.312 0.102 0.463 330 Y N 7.409 127.792 120.300 0.137 0.000 2.650 330 Y HA -0.079 nan 4.550 nan 0.000 0.342 330 Y C -1.370 174.557 175.900 0.045 0.000 1.110 330 Y CA 0.641 58.817 58.100 0.128 0.000 1.438 330 Y CB -0.327 38.260 38.460 0.211 0.000 1.181 330 Y HN 0.611 9.129 8.280 0.397 0.000 0.526 331 T N 9.191 123.559 114.554 -0.311 0.000 2.943 331 T HA 0.507 nan 4.350 nan 0.000 0.284 331 T C -1.802 172.426 174.700 -0.785 0.000 1.015 331 T CA -0.426 61.362 62.100 -0.520 0.000 1.042 331 T CB 2.351 71.014 68.868 -0.340 0.000 1.055 331 T HN -0.247 7.911 8.240 -0.136 0.000 0.500 332 V N 2.037 121.374 119.914 -0.961 0.000 2.569 332 V HA 0.629 nan 4.120 nan 0.000 0.301 332 V C -1.482 173.992 176.094 -1.034 0.000 1.044 332 V CA -0.527 61.312 62.300 -0.768 0.000 0.874 332 V CB 2.557 34.065 31.823 -0.525 0.000 1.002 332 V HN 0.191 7.710 8.190 -1.117 0.000 0.424 333 F N 6.252 125.551 119.950 -1.085 0.000 2.391 333 F HA 0.409 nan 4.527 nan 0.000 0.359 333 F C -1.408 173.695 175.800 -1.161 0.000 1.122 333 F CA -1.506 55.551 58.000 -1.571 0.000 1.120 333 F CB 1.046 38.604 39.000 -2.404 0.000 1.142 333 F HN 0.579 8.460 8.300 -0.698 0.000 0.483 334 D N 4.249 124.321 120.400 -0.546 0.000 2.454 334 D HA 0.287 nan 4.640 nan 0.000 0.225 334 D C 0.584 176.950 176.300 0.110 0.000 1.081 334 D CA -1.454 52.430 54.000 -0.192 0.000 0.864 334 D CB 1.528 42.221 40.800 -0.179 0.000 1.040 334 D HN 0.438 8.473 8.370 -0.559 0.000 0.517 335 R N 5.042 125.646 120.500 0.174 0.000 2.236 335 R HA -0.073 nan 4.340 nan 0.000 0.208 335 R C 1.125 177.563 176.300 0.229 0.000 1.036 335 R CA 1.249 57.536 56.100 0.312 0.000 1.001 335 R CB -0.272 30.278 30.300 0.418 0.000 0.896 335 R HN 0.351 8.667 8.270 0.077 0.000 0.464 336 D N -1.320 119.171 120.400 0.152 0.000 2.183 336 D HA 0.022 nan 4.640 nan 0.000 0.205 336 D C 0.735 177.078 176.300 0.071 0.000 0.962 336 D CA 2.198 56.259 54.000 0.101 0.000 0.849 336 D CB 0.662 41.501 40.800 0.065 0.000 0.978 336 D HN -0.546 7.981 8.370 0.124 -0.082 0.488 337 N N -2.370 116.355 118.700 0.042 0.000 2.234 337 N HA 0.131 nan 4.740 nan 0.000 0.227 337 N C -1.415 174.134 175.510 0.067 0.000 1.151 337 N CA -0.495 52.562 53.050 0.012 0.000 0.865 337 N CB 0.852 39.287 38.487 -0.087 0.000 1.066 337 N HN -0.420 8.284 8.380 0.031 -0.306 0.515 338 N N -1.994 116.812 118.700 0.177 0.000 2.699 338 N HA -0.368 nan 4.740 nan 0.000 0.256 338 N C -1.651 174.032 175.510 0.289 0.000 0.993 338 N CA 1.571 54.810 53.050 0.315 0.000 0.759 338 N CB -1.498 37.124 38.487 0.226 0.000 0.906 338 N HN 0.254 8.679 8.380 0.193 0.070 0.541 339 R N -6.829 113.802 120.500 0.218 0.000 2.836 339 R HA 0.799 nan 4.340 nan 0.000 0.269 339 R C -2.192 174.101 176.300 -0.012 0.000 1.010 339 R CA -1.545 54.625 56.100 0.117 0.000 0.930 339 R CB 3.673 33.973 30.300 -0.000 0.000 1.218 339 R HN -0.418 7.958 8.270 0.176 0.000 0.473 340 V N -1.455 118.391 119.914 -0.113 0.000 2.581 340 V HA 0.720 nan 4.120 nan 0.000 0.303 340 V C -1.471 174.283 176.094 -0.566 0.000 1.041 340 V CA -2.029 59.941 62.300 -0.549 0.000 0.907 340 V CB 2.676 34.103 31.823 -0.659 0.000 0.994 340 V HN 0.884 8.940 8.190 -0.027 0.118 0.442 341 G N 2.480 110.738 108.800 -0.903 0.000 2.737 341 G HA2 0.780 nan 3.960 nan 0.000 0.290 341 G HA3 0.780 nan 3.960 nan 0.000 0.290 341 G C -2.401 171.865 174.900 -1.056 0.000 1.482 341 G CA -0.655 43.806 45.100 -1.065 0.000 1.017 341 G HN 0.278 7.946 8.290 -1.038 0.000 0.529 342 F N 3.790 123.485 119.950 -0.424 0.000 2.470 342 F HA 0.791 nan 4.527 nan 0.000 0.329 342 F C -1.793 173.933 175.800 -0.123 0.000 1.072 342 F CA -2.174 55.659 58.000 -0.278 0.000 0.989 342 F CB 3.303 42.123 39.000 -0.300 0.000 1.193 342 F HN 0.667 8.688 8.300 -0.465 0.000 0.481 343 A N -0.160 122.793 122.820 0.223 0.000 2.604 343 A HA 0.492 nan 4.320 nan 0.000 0.295 343 A C -2.645 175.187 177.584 0.412 0.000 1.067 343 A CA -1.025 51.162 52.037 0.250 0.000 0.683 343 A CB 3.393 22.428 19.000 0.058 0.000 1.281 343 A HN 0.402 8.717 8.150 0.276 0.000 0.407 344 E N 0.986 121.417 120.200 0.384 0.000 2.384 344 E HA 0.026 nan 4.350 nan 0.000 0.266 344 E C -0.929 175.825 176.600 0.256 0.000 1.012 344 E CA -0.508 56.065 56.400 0.288 0.000 0.901 344 E CB 1.320 31.142 29.700 0.204 0.000 0.967 344 E HN 0.434 8.991 8.360 0.328 0.000 0.435 345 A N 4.413 127.325 122.820 0.154 0.000 2.332 345 A HA 0.464 nan 4.320 nan 0.000 0.258 345 A C -1.773 175.932 177.584 0.202 0.000 1.087 345 A CA -0.415 51.764 52.037 0.236 0.000 0.802 345 A CB 1.047 20.108 19.000 0.102 0.000 1.042 345 A HN -0.305 7.845 8.150 -0.000 0.000 0.489 346 A N 0.000 123.001 122.820 0.302 0.000 2.254 346 A HA 0.000 nan 4.320 nan 0.000 0.244 346 A CA 0.000 52.140 52.037 0.172 0.000 0.836 346 A CB 0.000 19.039 19.000 0.066 0.000 0.831 346 A HN 0.000 8.455 8.150 0.508 0.000 0.486