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 1adc_1_B DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.576 174.600 -0.040 0.000 1.055 1 S CA 0.000 58.240 58.200 0.066 0.000 1.107 1 S CB 0.000 63.231 63.200 0.052 0.000 0.593 2 T N 1.954 116.515 114.554 0.012 0.000 2.672 2 T HA -0.125 nan 4.350 nan 0.000 0.249 2 T C -0.186 174.488 174.700 -0.044 0.000 1.012 2 T CA 1.111 63.208 62.100 -0.005 0.000 1.158 2 T CB 0.114 68.984 68.868 0.002 0.000 1.045 2 T HN 0.216 8.482 8.240 0.044 0.000 0.452 3 A N 5.421 128.218 122.820 -0.038 0.000 2.438 3 A HA 0.236 nan 4.320 nan 0.000 0.301 3 A C -1.756 175.806 177.584 -0.036 0.000 1.101 3 A CA 0.171 52.178 52.037 -0.051 0.000 0.621 3 A CB 2.286 21.230 19.000 -0.093 0.000 1.350 3 A HN -0.122 8.016 8.150 -0.019 0.000 0.496 4 G N -1.844 106.932 108.800 -0.040 0.000 5.371 4 G HA2 -0.001 nan 3.960 nan 0.000 0.208 4 G HA3 -0.001 nan 3.960 nan 0.000 0.208 4 G C -1.549 173.329 174.900 -0.036 0.000 0.815 4 G CA 0.504 45.584 45.100 -0.032 0.000 0.735 4 G HN 0.242 8.503 8.290 -0.047 0.000 0.284 5 K N -1.512 118.861 120.400 -0.046 0.000 2.680 5 K HA 0.153 nan 4.320 nan 0.000 0.295 5 K C -1.497 175.068 176.600 -0.058 0.000 1.052 5 K CA -1.090 55.170 56.287 -0.045 0.000 0.863 5 K CB 1.644 34.123 32.500 -0.036 0.000 1.549 5 K HN -0.709 7.507 8.250 -0.057 0.000 0.391 6 V N 0.261 120.146 119.914 -0.049 0.000 2.902 6 V HA -0.143 nan 4.120 nan 0.000 0.297 6 V C -0.216 175.833 176.094 -0.074 0.000 1.230 6 V CA 1.459 63.728 62.300 -0.051 0.000 1.344 6 V CB -0.412 31.395 31.823 -0.028 0.000 0.889 6 V HN 0.034 8.200 8.190 -0.039 0.000 0.515 7 I N 5.963 126.478 120.570 -0.090 0.000 2.608 7 I HA 0.280 nan 4.170 nan 0.000 0.295 7 I C -1.364 174.714 176.117 -0.065 0.000 1.049 7 I CA -1.059 60.157 61.300 -0.140 0.000 1.063 7 I CB 3.951 41.759 38.000 -0.320 0.000 1.248 7 I HN 0.152 8.209 8.210 -0.070 0.111 0.424 8 K N 4.802 125.175 120.400 -0.044 0.000 2.206 8 K HA 0.617 nan 4.320 nan 0.000 0.264 8 K C -1.382 175.240 176.600 0.037 0.000 0.967 8 K CA -0.408 55.889 56.287 0.017 0.000 0.844 8 K CB 1.353 33.867 32.500 0.024 0.000 1.099 8 K HN 0.168 8.380 8.250 -0.063 0.000 0.441 9 C N -0.170 119.184 119.300 0.091 0.000 3.314 9 C HA 0.607 nan 4.460 nan 0.000 0.344 9 C C -1.818 173.263 174.990 0.152 0.000 1.461 9 C CA -2.653 56.445 59.018 0.134 0.000 1.249 9 C CB 3.787 31.652 27.740 0.208 0.000 1.632 9 C HN 0.934 9.122 8.230 0.102 0.103 0.452 10 K N -0.057 120.450 120.400 0.178 0.000 2.144 10 K HA 0.565 nan 4.320 nan 0.000 0.270 10 K C -1.568 175.191 176.600 0.264 0.000 1.005 10 K CA -0.255 56.175 56.287 0.238 0.000 0.932 10 K CB 1.570 34.259 32.500 0.316 0.000 1.021 10 K HN 0.315 8.994 8.250 0.179 -0.322 0.462 11 A N 0.621 123.641 122.820 0.332 0.000 2.604 11 A HA 0.652 nan 4.320 nan 0.000 0.295 11 A C -2.349 175.455 177.584 0.368 0.000 1.067 11 A CA -0.769 51.475 52.037 0.345 0.000 0.683 11 A CB 4.184 23.239 19.000 0.093 0.000 1.281 11 A HN 0.521 8.851 8.150 0.301 0.000 0.407 12 A N 2.449 125.512 122.820 0.404 0.000 2.666 12 A HA 0.516 nan 4.320 nan 0.000 0.312 12 A C -1.442 176.268 177.584 0.210 0.000 1.471 12 A CA -0.953 51.164 52.037 0.134 0.000 1.134 12 A CB -0.293 18.565 19.000 -0.236 0.000 1.129 12 A HN 0.352 8.835 8.150 0.555 0.000 0.539 13 V N 3.610 123.648 119.914 0.205 0.000 2.583 13 V HA 0.303 nan 4.120 nan 0.000 0.287 13 V C -0.937 175.214 176.094 0.096 0.000 1.051 13 V CA 0.024 62.371 62.300 0.078 0.000 1.010 13 V CB 0.573 32.459 31.823 0.104 0.000 0.988 13 V HN 0.041 8.370 8.190 0.230 0.000 0.478 14 L N 4.622 125.790 121.223 -0.091 0.000 2.294 14 L HA 0.485 nan 4.340 nan 0.000 0.283 14 L C -0.620 176.060 176.870 -0.317 0.000 1.015 14 L CA -1.013 53.727 54.840 -0.167 0.000 0.831 14 L CB 1.327 43.254 42.059 -0.219 0.000 1.217 14 L HN -0.043 8.102 8.230 -0.142 0.000 0.420 15 W N 4.908 126.172 121.300 -0.059 0.000 2.494 15 W HA -0.159 nan 4.660 nan 0.000 0.286 15 W C -0.391 176.110 176.519 -0.030 0.000 1.218 15 W CA 1.572 58.901 57.345 -0.026 0.000 1.313 15 W CB 0.763 30.209 29.460 -0.024 0.000 1.105 15 W HN 0.571 8.854 8.180 0.172 0.000 0.561 16 E N -4.893 115.356 120.200 0.082 0.000 2.449 16 E HA 0.182 nan 4.350 nan 0.000 0.278 16 E C -1.872 174.703 176.600 -0.043 0.000 0.992 16 E CA -1.668 54.752 56.400 0.033 0.000 0.807 16 E CB 3.772 33.505 29.700 0.056 0.000 1.350 16 E HN -0.784 7.609 8.360 0.054 0.000 0.462 17 E N 0.186 120.367 120.200 -0.033 0.000 2.318 17 E HA -0.021 nan 4.350 nan 0.000 0.265 17 E C -0.431 176.137 176.600 -0.053 0.000 1.069 17 E CA -0.632 55.736 56.400 -0.053 0.000 0.893 17 E CB 0.335 30.026 29.700 -0.017 0.000 1.076 17 E HN 0.095 8.452 8.360 -0.006 0.000 0.414 18 K N -2.619 117.744 120.400 -0.063 0.000 3.069 18 K HA -0.485 nan 4.320 nan 0.000 0.267 18 K C -1.105 175.455 176.600 -0.067 0.000 1.082 18 K CA 1.157 57.415 56.287 -0.048 0.000 0.782 18 K CB -2.031 30.458 32.500 -0.019 0.000 1.230 18 K HN 0.378 8.466 8.250 -0.070 0.119 0.488 19 K N -2.604 117.725 120.400 -0.119 0.000 2.466 19 K HA 0.503 nan 4.320 nan 0.000 0.260 19 K C -2.724 173.751 176.600 -0.209 0.000 1.011 19 K CA -2.701 53.516 56.287 -0.117 0.000 0.871 19 K CB 1.515 33.969 32.500 -0.077 0.000 1.404 19 K HN -0.398 7.738 8.250 -0.170 0.012 0.450 20 P HA 0.362 nan 4.420 nan 0.000 0.281 20 P C -1.101 176.054 177.300 -0.242 0.000 1.281 20 P CA -0.962 62.017 63.100 -0.202 0.000 0.811 20 P CB 0.747 32.397 31.700 -0.083 0.000 1.154 21 F N -0.902 118.937 119.950 -0.185 0.000 2.380 21 F HA 0.067 nan 4.527 nan 0.000 0.325 21 F C 0.283 176.032 175.800 -0.086 0.000 1.136 21 F CA 0.500 58.406 58.000 -0.156 0.000 1.171 21 F CB 1.669 40.483 39.000 -0.312 0.000 1.230 21 F HN 0.107 8.795 8.300 0.039 -0.364 0.554 22 S N 2.795 118.623 115.700 0.214 0.000 2.669 22 S HA 0.316 nan 4.470 nan 0.000 0.315 22 S C -1.162 173.517 174.600 0.132 0.000 1.106 22 S CA -1.202 57.084 58.200 0.145 0.000 1.107 22 S CB 0.939 64.258 63.200 0.199 0.000 0.990 22 S HN 0.573 9.061 8.310 0.297 0.000 0.471 23 I N 1.743 122.327 120.570 0.023 0.000 2.578 23 I HA -0.023 nan 4.170 nan 0.000 0.286 23 I C -0.638 175.539 176.117 0.101 0.000 1.126 23 I CA 0.539 61.851 61.300 0.020 0.000 1.380 23 I CB -0.615 37.317 38.000 -0.113 0.000 1.408 23 I HN 0.400 8.597 8.210 -0.021 0.000 0.532 24 E N 6.796 127.095 120.200 0.165 0.000 2.404 24 E HA 0.371 nan 4.350 nan 0.000 0.264 24 E C -2.004 174.693 176.600 0.161 0.000 0.946 24 E CA -2.485 54.010 56.400 0.159 0.000 0.806 24 E CB 3.924 33.751 29.700 0.212 0.000 1.334 24 E HN 0.817 9.185 8.360 0.197 0.109 0.429 25 E N 0.062 120.344 120.200 0.136 0.000 2.216 25 E HA 0.578 nan 4.350 nan 0.000 0.279 25 E C -1.466 175.215 176.600 0.136 0.000 0.997 25 E CA -0.583 55.893 56.400 0.126 0.000 0.817 25 E CB 1.678 31.436 29.700 0.095 0.000 1.096 25 E HN 0.205 8.639 8.360 0.123 0.000 0.393 26 V N 3.655 123.651 119.914 0.136 0.000 2.962 26 V HA 0.437 nan 4.120 nan 0.000 0.313 26 V C -1.367 174.813 176.094 0.144 0.000 1.099 26 V CA -1.650 60.742 62.300 0.153 0.000 0.971 26 V CB 3.971 35.891 31.823 0.162 0.000 1.028 26 V HN 0.881 9.045 8.190 0.132 0.105 0.430 27 E N 3.239 123.526 120.200 0.145 0.000 2.081 27 E HA 0.401 nan 4.350 nan 0.000 0.276 27 E C -0.985 175.685 176.600 0.117 0.000 0.950 27 E CA -1.087 55.371 56.400 0.098 0.000 0.776 27 E CB 0.908 30.648 29.700 0.067 0.000 1.094 27 E HN -0.087 8.369 8.360 0.160 0.000 0.402 28 V N 6.019 125.985 119.914 0.087 0.000 2.304 28 V HA 0.234 nan 4.120 nan 0.000 0.269 28 V C -0.572 175.495 176.094 -0.046 0.000 1.036 28 V CA -1.640 60.687 62.300 0.044 0.000 0.840 28 V CB -0.398 31.510 31.823 0.140 0.000 1.036 28 V HN 0.881 8.998 8.190 0.060 0.108 0.466 29 A N 9.425 132.195 122.820 -0.083 0.000 2.504 29 A HA 0.105 nan 4.320 nan 0.000 0.242 29 A C -2.414 175.127 177.584 -0.071 0.000 1.100 29 A CA -1.005 50.988 52.037 -0.073 0.000 0.786 29 A CB -0.950 18.004 19.000 -0.077 0.000 1.050 29 A HN -0.239 7.843 8.150 -0.115 0.000 0.512 30 P HA 0.309 nan 4.420 nan 0.000 0.278 30 P C -2.417 174.858 177.300 -0.043 0.000 1.258 30 P CA -2.326 60.745 63.100 -0.047 0.000 0.811 30 P CB -0.455 31.220 31.700 -0.042 0.000 1.063 31 P HA -0.022 nan 4.420 nan 0.000 0.271 31 P C -0.863 176.417 177.300 -0.033 0.000 1.226 31 P CA -0.358 62.727 63.100 -0.026 0.000 0.765 31 P CB 0.535 32.228 31.700 -0.012 0.000 0.835 32 K N 4.341 124.720 120.400 -0.034 0.000 2.614 32 K HA -0.048 nan 4.320 nan 0.000 0.275 32 K C 0.062 176.630 176.600 -0.052 0.000 1.055 32 K CA -0.290 55.973 56.287 -0.040 0.000 0.961 32 K CB 0.690 33.170 32.500 -0.033 0.000 1.220 32 K HN -0.360 8.085 8.250 -0.033 -0.215 0.491 33 A N -2.061 120.717 122.820 -0.071 0.000 2.520 33 A HA -0.136 nan 4.320 nan 0.000 0.245 33 A C -0.431 177.096 177.584 -0.095 0.000 1.072 33 A CA 0.720 52.659 52.037 -0.164 0.000 0.761 33 A CB -0.425 18.467 19.000 -0.181 0.000 1.004 33 A HN 0.240 8.357 8.150 -0.055 0.000 0.499 34 H N -0.891 118.168 119.070 -0.019 0.000 2.992 34 H HA -0.453 nan 4.556 nan 0.000 0.266 34 H C -0.983 174.332 175.328 -0.021 0.000 1.200 34 H CA 1.885 57.922 56.048 -0.019 0.000 1.135 34 H CB -1.846 27.903 29.762 -0.022 0.000 1.282 34 H HN 0.413 8.365 8.280 -0.354 0.115 0.351 35 E N -4.124 116.110 120.200 0.056 0.000 2.339 35 E HA 0.908 nan 4.350 nan 0.000 0.262 35 E C -2.113 174.499 176.600 0.021 0.000 0.934 35 E CA -1.649 54.771 56.400 0.033 0.000 0.802 35 E CB 4.511 34.217 29.700 0.011 0.000 1.275 35 E HN -0.748 7.585 8.360 0.016 0.036 0.427 36 V N -5.044 114.884 119.914 0.024 0.000 2.760 36 V HA 0.743 nan 4.120 nan 0.000 0.309 36 V C -2.572 173.542 176.094 0.035 0.000 1.077 36 V CA -2.664 59.651 62.300 0.025 0.000 0.910 36 V CB 3.320 35.158 31.823 0.025 0.000 1.008 36 V HN 0.617 8.823 8.190 0.027 0.000 0.424 37 R N 4.760 125.285 120.500 0.042 0.000 2.312 37 R HA 0.782 nan 4.340 nan 0.000 0.311 37 R C -1.007 175.344 176.300 0.086 0.000 1.004 37 R CA -1.069 55.077 56.100 0.076 0.000 0.902 37 R CB 1.704 32.050 30.300 0.077 0.000 1.073 37 R HN -0.260 8.030 8.270 0.035 0.000 0.457 38 I N 5.455 126.071 120.570 0.076 0.000 2.608 38 I HA 0.507 nan 4.170 nan 0.000 0.295 38 I C -2.074 173.962 176.117 -0.134 0.000 1.049 38 I CA -1.449 59.848 61.300 -0.005 0.000 1.063 38 I CB 3.866 41.846 38.000 -0.033 0.000 1.248 38 I HN 1.120 9.279 8.210 0.096 0.108 0.424 39 K N 5.148 125.392 120.400 -0.259 0.000 2.264 39 K HA 0.289 nan 4.320 nan 0.000 0.277 39 K C -1.001 175.315 176.600 -0.474 0.000 1.067 39 K CA -1.531 54.379 56.287 -0.628 0.000 0.900 39 K CB 1.746 33.944 32.500 -0.503 0.000 1.124 39 K HN 0.648 8.809 8.250 -0.148 0.000 0.469 40 M N 7.379 126.598 119.600 -0.635 0.000 2.364 40 M HA -0.167 nan 4.480 nan 0.000 0.342 40 M C -0.432 175.592 176.300 -0.459 0.000 1.601 40 M CA 0.569 55.498 55.300 -0.617 0.000 1.156 40 M CB -0.666 31.299 32.600 -1.059 0.000 1.912 40 M HN 0.205 7.889 8.290 -0.814 0.117 0.460 41 V N 7.089 126.904 119.914 -0.165 0.000 2.331 41 V HA 0.007 nan 4.120 nan 0.000 0.242 41 V C -1.096 175.108 176.094 0.184 0.000 1.034 41 V CA 1.945 64.247 62.300 0.003 0.000 1.027 41 V CB 0.442 32.262 31.823 -0.005 0.000 0.667 41 V HN 0.289 8.392 8.190 -0.146 0.000 0.457 42 A N -5.410 117.509 122.820 0.165 0.000 2.515 42 A HA 0.672 nan 4.320 nan 0.000 0.298 42 A C -2.704 175.015 177.584 0.225 0.000 1.059 42 A CA -0.822 51.346 52.037 0.218 0.000 0.698 42 A CB 3.128 22.189 19.000 0.103 0.000 1.289 42 A HN -0.417 7.778 8.150 0.074 0.000 0.404 43 T N 2.189 116.896 114.554 0.254 0.000 2.928 43 T HA 0.694 nan 4.350 nan 0.000 0.296 43 T C -1.000 173.800 174.700 0.166 0.000 1.000 43 T CA -0.561 61.690 62.100 0.253 0.000 0.989 43 T CB 2.952 72.105 68.868 0.474 0.000 1.005 43 T HN 0.661 9.027 8.240 0.210 0.000 0.442 44 G N 3.090 111.949 108.800 0.099 0.000 2.400 44 G HA2 0.785 nan 3.960 nan 0.000 0.301 44 G HA3 0.785 nan 3.960 nan 0.000 0.301 44 G C -1.510 173.414 174.900 0.040 0.000 1.154 44 G CA -1.908 43.219 45.100 0.044 0.000 0.852 44 G HN 0.583 8.808 8.290 0.072 0.107 0.511 45 I N 1.856 122.417 120.570 -0.015 0.000 2.307 45 I HA 0.033 nan 4.170 nan 0.000 0.289 45 I C -1.636 174.385 176.117 -0.160 0.000 1.021 45 I CA -0.748 60.495 61.300 -0.095 0.000 1.224 45 I CB 0.537 38.348 38.000 -0.314 0.000 1.376 45 I HN -0.386 7.805 8.210 -0.032 0.000 0.470 46 C N 7.686 126.900 119.300 -0.143 0.000 2.365 46 C HA 0.282 nan 4.460 nan 0.000 0.349 46 C C 1.360 176.300 174.990 -0.084 0.000 1.191 46 C CA -1.934 57.042 59.018 -0.069 0.000 2.114 46 C CB 2.553 30.309 27.740 0.027 0.000 2.367 46 C HN -0.102 8.247 8.230 -0.145 -0.206 0.530 47 R N 4.474 124.920 120.500 -0.090 0.000 2.159 47 R HA -0.320 nan 4.340 nan 0.000 0.237 47 R C 1.130 177.273 176.300 -0.261 0.000 1.131 47 R CA 2.745 58.721 56.100 -0.206 0.000 0.982 47 R CB -0.320 29.867 30.300 -0.189 0.000 0.868 47 R HN 0.677 8.918 8.270 -0.049 0.000 0.453 48 S N -1.176 114.534 115.700 0.016 0.000 2.399 48 S HA -0.301 nan 4.470 nan 0.000 0.231 48 S C 1.905 176.643 174.600 0.229 0.000 1.022 48 S CA 3.489 61.818 58.200 0.215 0.000 0.983 48 S CB -0.720 62.637 63.200 0.262 0.000 0.803 48 S HN -0.526 7.808 8.310 0.092 0.031 0.480 49 D N 1.865 122.386 120.400 0.202 0.000 2.144 49 D HA -0.154 nan 4.640 nan 0.000 0.200 49 D C 1.603 178.100 176.300 0.329 0.000 0.978 49 D CA 3.351 57.488 54.000 0.227 0.000 0.833 49 D CB -0.333 40.679 40.800 0.354 0.000 0.961 49 D HN -0.162 8.181 8.370 0.172 0.130 0.470 50 D N -0.959 119.554 120.400 0.189 0.000 2.178 50 D HA -0.250 nan 4.640 nan 0.000 0.202 50 D C 2.240 178.619 176.300 0.131 0.000 0.974 50 D CA 2.775 56.893 54.000 0.197 0.000 0.841 50 D CB 0.237 41.017 40.800 -0.033 0.000 0.953 50 D HN -0.798 7.487 8.370 0.009 0.090 0.478 51 H N -0.683 118.471 119.070 0.141 0.000 2.353 51 H HA -0.233 nan 4.556 nan 0.000 0.300 51 H C 2.598 177.982 175.328 0.093 0.000 1.090 51 H CA 2.740 58.852 56.048 0.107 0.000 1.327 51 H CB -0.215 29.611 29.762 0.108 0.000 1.383 51 H HN -0.218 7.902 8.280 -0.049 0.131 0.508 52 V N -0.763 119.282 119.914 0.217 0.000 2.231 52 V HA -0.432 nan 4.120 nan 0.000 0.248 52 V C 2.609 178.743 176.094 0.066 0.000 1.054 52 V CA 4.413 66.780 62.300 0.112 0.000 1.015 52 V CB -0.980 30.829 31.823 -0.022 0.000 0.638 52 V HN -0.551 7.773 8.190 0.225 0.000 0.444 53 V N -1.014 118.929 119.914 0.049 0.000 2.255 53 V HA -0.448 nan 4.120 nan 0.000 0.247 53 V C 2.239 178.336 176.094 0.006 0.000 1.051 53 V CA 4.162 66.439 62.300 -0.038 0.000 1.018 53 V CB -1.152 30.617 31.823 -0.090 0.000 0.641 53 V HN -0.558 7.698 8.190 0.110 0.000 0.445 54 S N -1.004 114.736 115.700 0.067 0.000 2.603 54 S HA -0.182 nan 4.470 nan 0.000 0.229 54 S C 1.108 175.747 174.600 0.065 0.000 0.972 54 S CA 2.062 60.303 58.200 0.069 0.000 0.935 54 S CB -0.203 63.059 63.200 0.103 0.000 0.769 54 S HN -0.138 8.238 8.310 0.109 0.000 0.536 55 G N 0.849 109.689 108.800 0.068 0.000 2.143 55 G HA2 -0.328 nan 3.960 nan 0.000 0.249 55 G HA3 -0.328 nan 3.960 nan 0.000 0.249 55 G C 0.109 175.040 174.900 0.053 0.000 0.981 55 G CA 0.787 45.919 45.100 0.053 0.000 0.665 55 G HN -0.134 8.013 8.290 0.077 0.189 0.528 56 T N -4.513 110.086 114.554 0.074 0.000 2.978 56 T HA -0.141 nan 4.350 nan 0.000 0.262 56 T C -0.116 174.568 174.700 -0.026 0.000 1.063 56 T CA 1.283 63.388 62.100 0.008 0.000 1.140 56 T CB 0.630 69.485 68.868 -0.022 0.000 0.886 56 T HN -0.338 7.928 8.240 0.123 0.048 0.470 57 L N 1.842 123.101 121.223 0.060 0.000 2.313 57 L HA 0.396 nan 4.340 nan 0.000 0.273 57 L C -1.854 175.080 176.870 0.107 0.000 1.028 57 L CA -1.155 53.736 54.840 0.085 0.000 0.871 57 L CB 1.124 43.304 42.059 0.201 0.000 1.242 57 L HN -0.626 7.580 8.230 0.130 0.103 0.434 58 V N 6.981 126.934 119.914 0.065 0.000 2.470 58 V HA 0.036 nan 4.120 nan 0.000 0.276 58 V C -0.552 175.585 176.094 0.072 0.000 1.040 58 V CA 0.900 63.235 62.300 0.059 0.000 1.008 58 V CB -0.196 31.645 31.823 0.030 0.000 0.990 58 V HN 0.145 8.359 8.190 0.039 0.000 0.477 59 T N 7.903 122.505 114.554 0.080 0.000 2.900 59 T HA 0.471 nan 4.350 nan 0.000 0.303 59 T C -2.878 171.825 174.700 0.005 0.000 1.142 59 T CA -2.866 59.279 62.100 0.074 0.000 1.007 59 T CB 1.534 70.533 68.868 0.218 0.000 1.156 59 T HN 0.056 8.341 8.240 0.074 0.000 0.490 60 P HA 0.116 nan 4.420 nan 0.000 0.267 60 P C -1.848 175.435 177.300 -0.029 0.000 1.205 60 P CA -0.210 62.757 63.100 -0.221 0.000 0.765 60 P CB 0.618 31.865 31.700 -0.755 0.000 0.828 61 L N 4.629 125.911 121.223 0.098 0.000 2.334 61 L HA 0.486 nan 4.340 nan 0.000 0.272 61 L C -1.767 175.195 176.870 0.154 0.000 1.020 61 L CA -2.960 51.944 54.840 0.106 0.000 0.812 61 L CB 0.343 42.421 42.059 0.032 0.000 1.264 61 L HN -0.180 8.089 8.230 0.066 0.000 0.439 62 P HA 0.326 nan 4.420 nan 0.000 0.274 62 P C -2.516 174.707 177.300 -0.129 0.000 1.246 62 P CA -0.664 62.266 63.100 -0.284 0.000 0.795 62 P CB 0.780 31.987 31.700 -0.821 0.000 1.006 63 V N -0.939 118.873 119.914 -0.169 0.000 3.147 63 V HA 0.504 nan 4.120 nan 0.000 0.299 63 V C -1.842 174.211 176.094 -0.068 0.000 1.302 63 V CA -1.028 61.253 62.300 -0.032 0.000 1.015 63 V CB 4.357 36.236 31.823 0.093 0.000 1.086 63 V HN -0.229 7.803 8.190 -0.263 0.000 0.437 64 I N 6.601 127.116 120.570 -0.092 0.000 2.287 64 I HA 0.379 nan 4.170 nan 0.000 0.290 64 I C -1.170 174.922 176.117 -0.042 0.000 1.069 64 I CA -0.735 60.501 61.300 -0.106 0.000 1.237 64 I CB -0.071 37.681 38.000 -0.412 0.000 1.418 64 I HN -0.047 8.113 8.210 -0.084 0.000 0.481 65 A N 7.329 130.143 122.820 -0.010 0.000 2.523 65 A HA 0.298 nan 4.320 nan 0.000 0.251 65 A C -0.527 176.596 177.584 -0.768 0.000 1.706 65 A CA -0.072 51.755 52.037 -0.350 0.000 0.847 65 A CB 0.579 19.447 19.000 -0.220 0.000 1.571 65 A HN 0.337 8.600 8.150 0.189 0.000 0.625 66 G N -3.477 104.472 108.800 -1.418 0.000 2.862 66 G HA2 -0.240 nan 3.960 nan 0.000 0.686 66 G HA3 -0.240 nan 3.960 nan 0.000 0.686 66 G C -0.665 174.002 174.900 -0.389 0.000 1.134 66 G CA 0.209 44.265 45.100 -1.740 0.000 0.791 66 G HN -0.430 7.413 8.290 -1.028 -0.170 0.592 67 H N -2.048 116.902 119.070 -0.200 0.000 3.826 67 H HA 0.032 nan 4.556 nan 0.000 0.256 67 H C -1.727 173.604 175.328 0.004 0.000 1.087 67 H CA -0.220 55.817 56.048 -0.018 0.000 1.166 67 H CB 1.338 31.107 29.762 0.011 0.000 1.362 67 H HN 0.227 8.135 8.280 -0.621 0.000 0.803 68 E N 2.047 122.036 120.200 -0.351 0.000 2.055 68 E HA 0.113 nan 4.350 nan 0.000 0.274 68 E C -2.347 174.246 176.600 -0.012 0.000 0.949 68 E CA -1.336 54.999 56.400 -0.108 0.000 0.775 68 E CB 0.552 30.126 29.700 -0.210 0.000 1.097 68 E HN -0.014 7.990 8.360 -0.593 0.000 0.404 69 A N 3.560 126.408 122.820 0.047 0.000 2.511 69 A HA 0.755 nan 4.320 nan 0.000 0.293 69 A C -2.384 175.223 177.584 0.037 0.000 1.098 69 A CA 0.031 52.098 52.037 0.050 0.000 0.643 69 A CB 3.098 22.129 19.000 0.051 0.000 1.302 69 A HN -0.252 7.945 8.150 0.078 0.000 0.446 70 A N -2.684 120.148 122.820 0.021 0.000 2.515 70 A HA 0.891 nan 4.320 nan 0.000 0.298 70 A C -2.247 175.320 177.584 -0.029 0.000 1.059 70 A CA -1.249 50.789 52.037 0.002 0.000 0.698 70 A CB 2.865 21.867 19.000 0.004 0.000 1.289 70 A HN 0.338 8.508 8.150 0.032 0.000 0.404 71 G N -1.091 107.682 108.800 -0.044 0.000 2.731 71 G HA2 0.896 nan 3.960 nan 0.000 0.309 71 G HA3 0.896 nan 3.960 nan 0.000 0.309 71 G C -2.925 171.938 174.900 -0.061 0.000 1.273 71 G CA -0.243 44.806 45.100 -0.085 0.000 0.798 71 G HN 0.402 8.676 8.290 -0.028 0.000 0.509 72 I N -1.976 118.548 120.570 -0.077 0.000 2.730 72 I HA 0.593 nan 4.170 nan 0.000 0.298 72 I C -1.053 175.044 176.117 -0.033 0.000 1.089 72 I CA -1.563 59.711 61.300 -0.043 0.000 1.041 72 I CB 4.826 42.804 38.000 -0.037 0.000 1.235 72 I HN 0.202 8.340 8.210 -0.120 0.000 0.423 73 V N 3.653 123.563 119.914 -0.008 0.000 2.439 73 V HA -0.008 nan 4.120 nan 0.000 0.271 73 V C 0.370 176.481 176.094 0.029 0.000 1.040 73 V CA 0.154 62.460 62.300 0.010 0.000 1.002 73 V CB -1.878 29.953 31.823 0.013 0.000 1.000 73 V HN 0.728 8.810 8.190 -0.005 0.105 0.477 74 E N 8.193 128.429 120.200 0.060 0.000 2.060 74 E HA -0.119 nan 4.350 nan 0.000 0.189 74 E C -0.207 176.429 176.600 0.059 0.000 0.974 74 E CA 2.292 58.750 56.400 0.098 0.000 0.808 74 E CB 1.288 31.126 29.700 0.230 0.000 0.768 74 E HN 0.050 8.448 8.360 0.064 0.000 0.453 75 S N -2.963 112.766 115.700 0.048 0.000 2.671 75 S HA 0.273 nan 4.470 nan 0.000 0.277 75 S C -1.825 172.785 174.600 0.017 0.000 1.165 75 S CA -1.231 56.983 58.200 0.023 0.000 0.822 75 S CB 2.485 65.691 63.200 0.011 0.000 1.150 75 S HN -0.571 7.774 8.310 0.059 0.000 0.479 76 I N 0.184 120.757 120.570 0.004 0.000 2.533 76 I HA 0.408 nan 4.170 nan 0.000 0.290 76 I C -0.132 175.975 176.117 -0.016 0.000 1.056 76 I CA -0.576 60.724 61.300 -0.001 0.000 1.057 76 I CB 3.760 41.760 38.000 0.000 0.000 1.240 76 I HN 0.160 8.370 8.210 -0.000 0.000 0.423 77 G N 5.061 113.848 108.800 -0.023 0.000 2.562 77 G HA2 0.190 nan 3.960 nan 0.000 0.275 77 G HA3 0.190 nan 3.960 nan 0.000 0.275 77 G C -1.170 173.679 174.900 -0.085 0.000 1.196 77 G CA -1.202 43.870 45.100 -0.048 0.000 0.908 77 G HN 0.538 8.822 8.290 -0.011 0.000 0.524 78 E N 1.892 122.022 120.200 -0.117 0.000 2.606 78 E HA -0.311 nan 4.350 nan 0.000 0.248 78 E C 0.738 177.161 176.600 -0.296 0.000 1.005 78 E CA 2.455 58.758 56.400 -0.161 0.000 0.946 78 E CB -0.217 29.394 29.700 -0.149 0.000 0.928 78 E HN 0.345 8.647 8.360 -0.098 0.000 0.494 79 G N 1.626 110.304 108.800 -0.203 0.000 2.258 79 G HA2 -0.452 nan 3.960 nan 0.000 0.233 79 G HA3 -0.452 nan 3.960 nan 0.000 0.233 79 G C -0.215 174.662 174.900 -0.037 0.000 1.006 79 G CA -0.208 44.772 45.100 -0.200 0.000 0.620 79 G HN 0.382 8.599 8.290 -0.123 0.000 0.511 80 V N 2.428 122.329 119.914 -0.021 0.000 2.752 80 V HA -0.262 nan 4.120 nan 0.000 0.306 80 V C -0.250 175.874 176.094 0.049 0.000 1.099 80 V CA 1.787 64.128 62.300 0.069 0.000 1.240 80 V CB -0.805 31.039 31.823 0.035 0.000 0.887 80 V HN -0.398 7.676 8.190 -0.086 0.065 0.499 81 T N 5.742 120.333 114.554 0.061 0.000 3.087 81 T HA 0.336 nan 4.350 nan 0.000 0.283 81 T C 0.464 175.181 174.700 0.029 0.000 0.956 81 T CA 1.151 63.274 62.100 0.039 0.000 0.894 81 T CB 0.406 69.301 68.868 0.045 0.000 1.160 81 T HN 0.728 9.365 8.240 0.078 -0.349 0.532 82 T N -0.709 113.863 114.554 0.030 0.000 3.010 82 T HA 0.188 nan 4.350 nan 0.000 0.252 82 T C -0.945 173.766 174.700 0.018 0.000 1.047 82 T CA 0.507 62.620 62.100 0.021 0.000 1.140 82 T CB 0.838 69.718 68.868 0.019 0.000 0.885 82 T HN -0.442 7.964 8.240 0.038 -0.144 0.464 83 V N -5.301 114.624 119.914 0.019 0.000 2.588 83 V HA 0.524 nan 4.120 nan 0.000 0.304 83 V C -1.417 174.685 176.094 0.014 0.000 1.042 83 V CA -2.766 59.543 62.300 0.015 0.000 0.877 83 V CB 1.533 33.365 31.823 0.015 0.000 0.996 83 V HN -0.762 7.442 8.190 0.022 0.000 0.425 84 R N 4.932 125.439 120.500 0.012 0.000 2.573 84 R HA 0.626 nan 4.340 nan 0.000 0.272 84 R C -2.411 173.895 176.300 0.010 0.000 1.009 84 R CA -3.763 52.343 56.100 0.010 0.000 1.059 84 R CB 0.980 31.285 30.300 0.009 0.000 1.112 84 R HN 0.480 9.056 8.270 0.011 -0.298 0.517 85 P HA -0.144 nan 4.420 nan 0.000 0.271 85 P C -0.412 176.896 177.300 0.012 0.000 1.220 85 P CA 0.758 63.866 63.100 0.013 0.000 0.768 85 P CB -0.021 31.688 31.700 0.014 0.000 0.848 86 G N 4.876 113.684 108.800 0.012 0.000 2.176 86 G HA2 -0.404 nan 3.960 nan 0.000 0.232 86 G HA3 -0.404 nan 3.960 nan 0.000 0.232 86 G C -0.796 174.108 174.900 0.006 0.000 0.986 86 G CA -0.381 44.725 45.100 0.010 0.000 0.643 86 G HN 0.549 8.722 8.290 0.014 0.125 0.522 87 D N 2.156 122.560 120.400 0.006 0.000 2.302 87 D HA 0.092 nan 4.640 nan 0.000 0.248 87 D C -0.916 175.386 176.300 0.002 0.000 1.094 87 D CA 0.213 54.216 54.000 0.006 0.000 0.897 87 D CB 1.372 42.177 40.800 0.008 0.000 1.200 87 D HN -0.622 7.687 8.370 0.008 0.066 0.429 88 K N 1.741 122.143 120.400 0.003 0.000 2.322 88 K HA 0.395 nan 4.320 nan 0.000 0.283 88 K C -1.788 174.814 176.600 0.003 0.000 1.042 88 K CA 0.699 56.986 56.287 -0.000 0.000 0.958 88 K CB 0.860 33.362 32.500 0.004 0.000 0.984 88 K HN 0.399 8.652 8.250 0.006 0.000 0.473 89 V N 4.167 124.080 119.914 -0.002 0.000 3.160 89 V HA 0.794 nan 4.120 nan 0.000 0.310 89 V C -2.079 174.017 176.094 0.005 0.000 1.181 89 V CA -2.653 59.649 62.300 0.003 0.000 1.047 89 V CB 4.752 36.577 31.823 0.002 0.000 1.068 89 V HN 0.436 8.513 8.190 -0.010 0.107 0.441 90 I N 1.860 122.437 120.570 0.013 0.000 2.468 90 I HA 0.535 nan 4.170 nan 0.000 0.285 90 I C -2.563 173.565 176.117 0.019 0.000 1.039 90 I CA -3.267 58.045 61.300 0.022 0.000 1.074 90 I CB 2.884 40.907 38.000 0.038 0.000 1.228 90 I HN 0.376 8.593 8.210 0.013 0.000 0.436 91 P HA 0.156 nan 4.420 nan 0.000 0.272 91 P C -1.496 175.812 177.300 0.013 0.000 1.248 91 P CA -0.337 62.780 63.100 0.028 0.000 0.799 91 P CB 0.452 32.186 31.700 0.056 0.000 0.997 92 L N -1.162 120.050 121.223 -0.018 0.000 2.441 92 L HA 0.244 nan 4.340 nan 0.000 0.270 92 L C -0.493 176.306 176.870 -0.118 0.000 0.973 92 L CA -0.688 54.068 54.840 -0.140 0.000 0.842 92 L CB 1.641 43.573 42.059 -0.211 0.000 1.239 92 L HN -0.215 8.012 8.230 -0.005 0.000 0.406 93 F N -1.815 118.013 119.950 -0.202 0.000 2.604 93 F HA -0.047 nan 4.527 nan 0.000 0.298 93 F C -0.757 174.923 175.800 -0.201 0.000 1.131 93 F CA 0.868 58.750 58.000 -0.196 0.000 1.457 93 F CB 0.120 38.983 39.000 -0.228 0.000 1.095 93 F HN 0.214 8.590 8.300 0.127 0.000 0.574 94 T N 1.287 115.405 114.554 -0.727 0.000 2.864 94 T HA 0.425 nan 4.350 nan 0.000 0.310 94 T C -1.730 172.757 174.700 -0.355 0.000 1.040 94 T CA -2.696 59.103 62.100 -0.502 0.000 0.977 94 T CB 2.142 70.673 68.868 -0.563 0.000 0.976 94 T HN -0.463 7.139 8.240 -0.992 0.042 0.459 95 P HA 0.145 nan 4.420 nan 0.000 0.306 95 P C -1.249 175.980 177.300 -0.118 0.000 1.301 95 P CA -0.361 62.645 63.100 -0.158 0.000 0.744 95 P CB 1.117 32.734 31.700 -0.137 0.000 1.400 96 Q N -2.018 117.731 119.800 -0.084 0.000 3.796 96 Q HA 0.101 nan 4.340 nan 0.000 0.203 96 Q C 0.097 176.068 176.000 -0.050 0.000 0.746 96 Q CA -0.506 55.266 55.803 -0.051 0.000 0.887 96 Q CB -0.219 28.506 28.738 -0.021 0.000 1.565 96 Q HN -0.354 7.865 8.270 -0.084 0.000 0.394 97 C N -2.132 117.129 119.300 -0.065 0.000 2.398 97 C HA -0.080 nan 4.460 nan 0.000 0.282 97 C C 1.453 176.411 174.990 -0.053 0.000 1.275 97 C CA 0.846 59.823 59.018 -0.067 0.000 1.797 97 C CB -0.860 26.834 27.740 -0.077 0.000 1.991 97 C HN 0.359 8.541 8.230 -0.080 0.000 0.505 98 G N 2.622 111.400 108.800 -0.036 0.000 2.184 98 G HA2 -0.367 nan 3.960 nan 0.000 0.264 98 G HA3 -0.367 nan 3.960 nan 0.000 0.264 98 G C -0.305 174.582 174.900 -0.022 0.000 0.975 98 G CA 0.838 45.925 45.100 -0.023 0.000 0.642 98 G HN 0.193 8.403 8.290 -0.033 0.060 0.536 99 K N -1.785 118.596 120.400 -0.031 0.000 2.436 99 K HA 0.228 nan 4.320 nan 0.000 0.198 99 K C 0.777 177.365 176.600 -0.021 0.000 1.174 99 K CA 0.419 56.690 56.287 -0.027 0.000 0.951 99 K CB 1.373 33.850 32.500 -0.037 0.000 1.040 99 K HN -0.523 7.618 8.250 -0.041 0.085 0.536 100 C N 0.501 119.786 119.300 -0.026 0.000 2.639 100 C HA 0.214 nan 4.460 nan 0.000 0.360 100 C C 1.498 176.489 174.990 0.001 0.000 1.351 100 C CA -1.828 57.178 59.018 -0.021 0.000 2.408 100 C CB 1.015 28.731 27.740 -0.040 0.000 2.517 100 C HN -0.402 7.807 8.230 -0.035 0.000 0.696 101 R N -0.078 120.428 120.500 0.009 0.000 2.112 101 R HA -0.407 nan 4.340 nan 0.000 0.242 101 R C 2.009 178.349 176.300 0.067 0.000 1.137 101 R CA 3.716 59.838 56.100 0.038 0.000 0.944 101 R CB -0.438 29.882 30.300 0.033 0.000 0.857 101 R HN 0.549 8.818 8.270 -0.002 0.000 0.435 102 V N -2.459 117.477 119.914 0.038 0.000 2.287 102 V HA -0.203 nan 4.120 nan 0.000 0.248 102 V C 2.183 178.320 176.094 0.072 0.000 1.053 102 V CA 3.302 65.628 62.300 0.042 0.000 1.027 102 V CB -0.824 31.006 31.823 0.011 0.000 0.646 102 V HN -0.089 8.108 8.190 0.012 0.000 0.447 103 C N -2.080 117.244 119.300 0.041 0.000 2.432 103 C HA -0.196 nan 4.460 nan 0.000 0.280 103 C C 2.274 177.298 174.990 0.057 0.000 1.353 103 C CA 2.623 61.666 59.018 0.042 0.000 1.766 103 C CB -1.841 25.906 27.740 0.011 0.000 1.924 103 C HN -0.055 8.186 8.230 0.019 0.000 0.509 104 K N -1.725 118.711 120.400 0.060 0.000 2.167 104 K HA -0.091 nan 4.320 nan 0.000 0.203 104 K C 0.351 176.996 176.600 0.075 0.000 1.052 104 K CA 0.869 57.187 56.287 0.051 0.000 0.956 104 K CB -0.157 32.365 32.500 0.036 0.000 0.735 104 K HN -0.422 7.738 8.250 0.057 0.124 0.451 105 H N 3.203 122.281 119.070 0.013 0.000 2.929 105 H HA 0.086 nan 4.556 nan 0.000 0.317 105 H C -0.532 174.809 175.328 0.022 0.000 1.031 105 H CA -1.145 54.913 56.048 0.016 0.000 1.466 105 H CB 1.193 30.966 29.762 0.019 0.000 1.482 105 H HN -0.384 7.908 8.280 0.198 0.106 0.561 106 P HA -0.232 nan 4.420 nan 0.000 0.222 106 P C 0.129 177.542 177.300 0.189 0.000 1.147 106 P CA 2.178 65.318 63.100 0.067 0.000 0.790 106 P CB 0.469 32.147 31.700 -0.035 0.000 0.780 107 E N -2.528 117.955 120.200 0.471 0.000 2.175 107 E HA 0.091 nan 4.350 nan 0.000 0.195 107 E C -0.111 176.563 176.600 0.124 0.000 0.934 107 E CA 0.072 56.644 56.400 0.286 0.000 0.870 107 E CB 0.758 30.627 29.700 0.282 0.000 0.838 107 E HN -0.477 8.338 8.360 0.879 0.073 0.474 108 G N -1.980 106.816 108.800 -0.007 0.000 2.491 108 G HA2 -0.201 nan 3.960 nan 0.000 0.238 108 G HA3 -0.201 nan 3.960 nan 0.000 0.238 108 G C -1.559 173.371 174.900 0.050 0.000 1.277 108 G CA 0.216 45.277 45.100 -0.064 0.000 0.851 108 G HN -0.384 7.852 8.290 -0.089 0.000 0.573 109 N N 0.347 119.096 118.700 0.082 0.000 2.211 109 N HA 0.022 nan 4.740 nan 0.000 0.216 109 N C -0.321 175.283 175.510 0.157 0.000 1.240 109 N CA -0.171 52.954 53.050 0.125 0.000 0.895 109 N CB 1.215 39.798 38.487 0.160 0.000 1.102 109 N HN 0.189 8.615 8.380 0.075 0.000 0.498 110 F N 3.454 123.395 119.950 -0.014 0.000 2.662 110 F HA -0.082 nan 4.527 nan 0.000 0.343 110 F C -0.855 174.922 175.800 -0.040 0.000 1.302 110 F CA -0.734 57.248 58.000 -0.030 0.000 1.142 110 F CB -1.483 37.497 39.000 -0.033 0.000 1.524 110 F HN -0.594 7.859 8.300 0.256 0.000 0.668 111 C N 6.166 125.360 119.300 -0.177 0.000 2.634 111 C HA -0.117 nan 4.460 nan 0.000 0.417 111 C C 1.233 176.011 174.990 -0.353 0.000 1.334 111 C CA -0.675 58.219 59.018 -0.208 0.000 1.829 111 C CB 0.585 28.232 27.740 -0.155 0.000 2.665 111 C HN 0.004 8.143 8.230 -0.106 0.027 0.614 112 L N 7.261 128.347 121.223 -0.228 0.000 2.549 112 L HA -0.209 nan 4.340 nan 0.000 0.230 112 L C 0.643 177.382 176.870 -0.218 0.000 1.162 112 L CA 2.240 56.947 54.840 -0.222 0.000 0.834 112 L CB -0.087 41.900 42.059 -0.121 0.000 0.947 112 L HN 0.498 8.639 8.230 -0.149 0.000 0.452 113 K N -2.489 117.783 120.400 -0.213 0.000 2.446 113 K HA 0.118 nan 4.320 nan 0.000 0.203 113 K C -0.249 176.229 176.600 -0.203 0.000 1.027 113 K CA -1.572 54.610 56.287 -0.175 0.000 1.166 113 K CB -0.788 31.632 32.500 -0.133 0.000 0.869 113 K HN -0.584 7.451 8.250 -0.218 0.085 0.504 114 N N -1.025 117.494 118.700 -0.301 0.000 2.354 114 N HA -0.022 nan 4.740 nan 0.000 0.246 114 N C -0.025 175.362 175.510 -0.205 0.000 1.285 114 N CA 0.196 53.066 53.050 -0.299 0.000 0.925 114 N CB 0.607 38.773 38.487 -0.535 0.000 1.174 114 N HN -0.608 7.448 8.380 -0.380 0.096 0.478 115 D N -1.680 118.631 120.400 -0.147 0.000 2.623 115 D HA 0.193 nan 4.640 nan 0.000 0.252 115 D C -0.143 176.107 176.300 -0.084 0.000 1.294 115 D CA -0.486 53.449 54.000 -0.108 0.000 0.824 115 D CB 0.762 41.504 40.800 -0.097 0.000 1.070 115 D HN 0.372 8.658 8.370 -0.141 0.000 0.487 116 L N -1.647 119.554 121.223 -0.037 0.000 2.221 116 L HA 0.135 nan 4.340 nan 0.000 0.202 116 L C 0.589 177.520 176.870 0.103 0.000 1.074 116 L CA 1.223 56.092 54.840 0.049 0.000 0.795 116 L CB 0.847 43.012 42.059 0.176 0.000 0.960 116 L HN -0.133 8.287 8.230 -0.065 -0.229 0.458 117 S N 0.853 116.649 115.700 0.160 0.000 2.365 117 S HA -0.332 nan 4.470 nan 0.000 0.221 117 S C 0.406 175.038 174.600 0.053 0.000 1.037 117 S CA 2.795 61.084 58.200 0.147 0.000 1.060 117 S CB 0.226 63.516 63.200 0.149 0.000 0.974 117 S HN -0.235 8.510 8.310 0.144 -0.349 0.427 118 M N 0.525 120.135 119.600 0.016 0.000 1.999 118 M HA 0.332 nan 4.480 nan 0.000 0.299 118 M C -2.788 173.500 176.300 -0.020 0.000 0.900 118 M CA -2.734 52.565 55.300 -0.002 0.000 0.904 118 M CB 2.226 34.823 32.600 -0.006 0.000 1.477 118 M HN -0.419 7.871 8.290 0.000 0.000 0.403 119 P HA -0.089 nan 4.420 nan 0.000 0.266 119 P C -1.774 175.496 177.300 -0.050 0.000 1.215 119 P CA 0.035 63.116 63.100 -0.033 0.000 0.763 119 P CB 0.324 32.017 31.700 -0.013 0.000 0.806 120 R N 3.925 124.393 120.500 -0.052 0.000 2.167 120 R HA 0.112 nan 4.340 nan 0.000 0.201 120 R C 0.539 176.789 176.300 -0.083 0.000 1.024 120 R CA -0.103 55.966 56.100 -0.051 0.000 1.053 120 R CB 1.113 31.398 30.300 -0.025 0.000 0.987 120 R HN -0.022 8.700 8.270 -0.046 -0.480 0.493 121 G N -0.680 108.098 108.800 -0.036 0.000 2.182 121 G HA2 -0.279 nan 3.960 nan 0.000 0.248 121 G HA3 -0.279 nan 3.960 nan 0.000 0.248 121 G C -1.302 173.738 174.900 0.234 0.000 1.042 121 G CA 0.171 45.297 45.100 0.043 0.000 0.775 121 G HN -0.272 8.284 8.290 -0.022 -0.280 0.501 122 T N -5.682 108.926 114.554 0.089 0.000 2.693 122 T HA 0.673 nan 4.350 nan 0.000 0.278 122 T C -1.832 172.743 174.700 -0.210 0.000 0.994 122 T CA -2.481 59.615 62.100 -0.007 0.000 1.033 122 T CB 3.693 72.569 68.868 0.013 0.000 1.342 122 T HN -0.926 7.329 8.240 0.025 0.000 0.538 123 M N -0.914 118.504 119.600 -0.303 0.000 2.527 123 M HA 0.315 nan 4.480 nan 0.000 0.283 123 M C 1.512 177.722 176.300 -0.151 0.000 1.188 123 M CA -1.320 53.795 55.300 -0.308 0.000 0.941 123 M CB 2.604 35.013 32.600 -0.317 0.000 1.498 123 M HN -0.062 7.990 8.290 -0.232 0.099 0.510 124 Q N 1.375 121.106 119.800 -0.115 0.000 2.181 124 Q HA -0.322 nan 4.340 nan 0.000 0.205 124 Q C 2.150 178.112 176.000 -0.063 0.000 0.980 124 Q CA 4.021 59.777 55.803 -0.080 0.000 0.862 124 Q CB -0.027 28.671 28.738 -0.066 0.000 0.905 124 Q HN 0.609 8.968 8.270 -0.119 -0.160 0.429 125 D N -2.299 118.063 120.400 -0.064 0.000 2.378 125 D HA -0.166 nan 4.640 nan 0.000 0.222 125 D C 0.429 176.705 176.300 -0.041 0.000 0.980 125 D CA 0.768 54.741 54.000 -0.045 0.000 0.907 125 D CB -0.588 40.185 40.800 -0.044 0.000 0.899 125 D HN 0.001 8.300 8.370 -0.080 0.023 0.527 126 G N -2.017 106.752 108.800 -0.052 0.000 2.143 126 G HA2 -0.292 nan 3.960 nan 0.000 0.248 126 G HA3 -0.292 nan 3.960 nan 0.000 0.248 126 G C -1.176 173.712 174.900 -0.020 0.000 0.991 126 G CA 0.037 45.118 45.100 -0.032 0.000 0.689 126 G HN -0.007 8.015 8.290 -0.071 0.225 0.522 127 T N -6.104 108.422 114.554 -0.046 0.000 2.924 127 T HA 0.312 nan 4.350 nan 0.000 0.291 127 T C -1.109 173.558 174.700 -0.055 0.000 1.045 127 T CA -1.886 60.195 62.100 -0.031 0.000 1.015 127 T CB 2.900 71.749 68.868 -0.032 0.000 1.103 127 T HN -0.692 7.455 8.240 -0.073 0.049 0.496 128 S N -0.217 115.491 115.700 0.014 0.000 2.598 128 S HA 0.476 nan 4.470 nan 0.000 0.267 128 S C -0.286 174.359 174.600 0.074 0.000 1.189 128 S CA -0.619 57.648 58.200 0.111 0.000 1.010 128 S CB 0.899 64.192 63.200 0.154 0.000 1.084 128 S HN 0.050 8.373 8.310 0.022 0.000 0.541 129 R N -1.099 119.452 120.500 0.085 0.000 2.438 129 R HA 0.169 nan 4.340 nan 0.000 0.265 129 R C -1.873 174.090 176.300 -0.562 0.000 0.657 129 R CA 0.157 56.124 56.100 -0.222 0.000 0.893 129 R CB 1.868 32.021 30.300 -0.244 0.000 1.546 129 R HN 0.206 8.574 8.270 0.164 0.000 0.518 130 F N -2.171 117.818 119.950 0.065 0.000 2.599 130 F HA 0.543 nan 4.527 nan 0.000 0.311 130 F C -1.275 174.533 175.800 0.014 0.000 1.076 130 F CA -1.341 56.662 58.000 0.005 0.000 0.937 130 F CB 4.257 43.219 39.000 -0.064 0.000 1.282 130 F HN -0.640 7.698 8.300 0.064 0.000 0.460 131 T N 2.694 117.388 114.554 0.234 0.000 3.041 131 T HA 0.470 nan 4.350 nan 0.000 0.321 131 T C -2.685 172.117 174.700 0.170 0.000 1.184 131 T CA 0.073 62.265 62.100 0.154 0.000 1.050 131 T CB 2.739 71.672 68.868 0.108 0.000 1.159 131 T HN 0.264 8.665 8.240 0.268 0.000 0.469 132 C N 4.963 124.379 119.300 0.194 0.000 2.609 132 C HA 0.727 nan 4.460 nan 0.000 0.313 132 C C -1.375 173.776 174.990 0.269 0.000 1.175 132 C CA -0.659 58.512 59.018 0.255 0.000 1.434 132 C CB 2.316 30.284 27.740 0.379 0.000 2.005 132 C HN 0.679 9.024 8.230 0.191 0.000 0.471 133 R N 3.400 124.006 120.500 0.176 0.000 4.029 133 R HA -0.357 nan 4.340 nan 0.000 0.323 133 R C 0.282 176.643 176.300 0.103 0.000 0.241 133 R CA 1.685 57.847 56.100 0.105 0.000 1.076 133 R CB -1.366 28.988 30.300 0.090 0.000 1.036 133 R HN 0.756 9.119 8.270 0.154 0.000 0.544 134 G N 0.500 109.359 108.800 0.099 0.000 2.784 134 G HA2 0.051 nan 3.960 nan 0.000 0.208 134 G HA3 0.051 nan 3.960 nan 0.000 0.208 134 G C -0.529 174.428 174.900 0.094 0.000 1.120 134 G CA 0.190 45.338 45.100 0.080 0.000 0.774 134 G HN 0.275 8.626 8.290 0.102 0.000 0.528 135 K N 1.857 122.338 120.400 0.134 0.000 2.237 135 K HA 0.360 nan 4.320 nan 0.000 0.270 135 K C -2.657 174.004 176.600 0.100 0.000 1.015 135 K CA -2.661 53.702 56.287 0.126 0.000 0.949 135 K CB -0.383 32.231 32.500 0.189 0.000 0.976 135 K HN -0.589 7.761 8.250 0.168 0.000 0.472 136 P HA 0.227 nan 4.420 nan 0.000 0.285 136 P C -1.333 175.926 177.300 -0.068 0.000 1.259 136 P CA -0.397 62.710 63.100 0.011 0.000 0.794 136 P CB 0.426 32.116 31.700 -0.016 0.000 0.940 137 I N 2.036 122.606 120.570 0.000 0.000 2.377 137 I HA 0.149 nan 4.170 nan 0.000 0.293 137 I C 0.011 176.173 176.117 0.076 0.000 0.987 137 I CA -2.389 58.873 61.300 -0.064 0.000 1.185 137 I CB 0.979 38.929 38.000 -0.083 0.000 1.341 137 I HN 0.121 8.273 8.210 0.108 0.123 0.455 138 H N 7.441 126.575 119.070 0.107 0.000 2.836 138 H HA -0.088 nan 4.556 nan 0.000 0.368 138 H C -0.220 175.269 175.328 0.269 0.000 1.164 138 H CA 0.726 56.899 56.048 0.207 0.000 1.425 138 H CB 0.968 30.807 29.762 0.129 0.000 1.414 138 H HN 0.012 8.248 8.280 -0.072 0.000 0.614 139 H N -0.172 119.121 119.070 0.371 0.000 2.523 139 H HA 0.350 nan 4.556 nan 0.000 0.345 139 H C -0.759 174.754 175.328 0.307 0.000 1.261 139 H CA -1.008 55.242 56.048 0.338 0.000 1.343 139 H CB 2.132 32.060 29.762 0.276 0.000 1.650 139 H HN -0.099 8.471 8.280 0.684 0.120 0.591 140 F N 0.659 120.742 119.950 0.222 0.000 2.579 140 F HA 0.120 nan 4.527 nan 0.000 0.325 140 F C -1.140 174.730 175.800 0.118 0.000 1.162 140 F CA -1.050 57.022 58.000 0.121 0.000 0.946 140 F CB 2.305 41.342 39.000 0.062 0.000 1.211 140 F HN 0.455 9.021 8.300 0.443 0.000 0.447 141 L N 6.441 127.413 121.223 -0.419 0.000 4.137 141 L HA -0.373 nan 4.340 nan 0.000 0.421 141 L C 0.188 177.017 176.870 -0.069 0.000 1.162 141 L CA 0.179 54.825 54.840 -0.324 0.000 0.978 141 L CB -1.635 40.145 42.059 -0.465 0.000 1.957 141 L HN 1.071 9.048 8.230 -0.422 0.000 0.978 142 G N -6.496 102.323 108.800 0.032 0.000 2.203 142 G HA2 -0.428 nan 3.960 nan 0.000 0.263 142 G HA3 -0.428 nan 3.960 nan 0.000 0.263 142 G C -0.502 174.482 174.900 0.141 0.000 1.012 142 G CA 0.888 46.039 45.100 0.086 0.000 0.749 142 G HN 0.322 8.602 8.290 0.065 0.050 0.512 143 T N -6.420 108.240 114.554 0.176 0.000 3.393 143 T HA 0.244 nan 4.350 nan 0.000 0.231 143 T C -0.383 174.435 174.700 0.198 0.000 0.983 143 T CA -0.108 62.096 62.100 0.173 0.000 1.272 143 T CB 2.215 71.183 68.868 0.167 0.000 1.214 143 T HN -0.225 7.954 8.240 0.170 0.163 0.368 144 S N 2.605 118.424 115.700 0.198 0.000 3.454 144 S HA -0.339 nan 4.470 nan 0.000 0.508 144 S C -0.399 174.201 174.600 -0.001 0.000 0.738 144 S CA 1.177 59.433 58.200 0.094 0.000 1.383 144 S CB -0.867 62.382 63.200 0.080 0.000 0.945 144 S HN -0.164 8.300 8.310 0.258 0.000 0.768 145 T N -2.536 111.963 114.554 -0.091 0.000 3.092 145 T HA 0.228 nan 4.350 nan 0.000 0.258 145 T C 1.153 175.915 174.700 0.103 0.000 1.031 145 T CA -0.332 61.737 62.100 -0.051 0.000 0.925 145 T CB 0.308 69.161 68.868 -0.024 0.000 1.036 145 T HN 0.066 8.035 8.240 -0.187 0.160 0.544 146 F N 5.192 125.175 119.950 0.055 0.000 2.783 146 F HA 0.344 nan 4.527 nan 0.000 0.338 146 F C -1.828 174.021 175.800 0.082 0.000 1.178 146 F CA -3.075 55.051 58.000 0.209 0.000 1.343 146 F CB -2.719 36.354 39.000 0.120 0.000 1.496 146 F HN -0.501 7.709 8.300 -0.067 0.049 0.583 147 S N -1.532 114.129 115.700 -0.064 0.000 2.547 147 S HA 0.285 nan 4.470 nan 0.000 0.270 147 S C -1.020 173.178 174.600 -0.669 0.000 1.150 147 S CA -0.942 57.089 58.200 -0.281 0.000 0.850 147 S CB 3.161 66.267 63.200 -0.156 0.000 1.118 147 S HN -0.303 7.836 8.310 -0.137 0.088 0.461 148 Q N 0.653 120.129 119.800 -0.539 0.000 2.224 148 Q HA -0.191 nan 4.340 nan 0.000 0.203 148 Q C 0.077 175.652 176.000 -0.708 0.000 0.970 148 Q CA 3.238 58.635 55.803 -0.677 0.000 0.865 148 Q CB 1.179 29.801 28.738 -0.193 0.000 0.922 148 Q HN 0.058 8.162 8.270 -0.276 0.000 0.445 149 Y N -4.995 115.182 120.300 -0.205 0.000 2.512 149 Y HA 0.362 nan 4.550 nan 0.000 0.348 149 Y C -2.085 173.829 175.900 0.024 0.000 0.990 149 Y CA -0.889 57.159 58.100 -0.086 0.000 1.033 149 Y CB 3.547 41.995 38.460 -0.019 0.000 1.259 149 Y HN -0.734 7.535 8.280 0.010 0.017 0.461 150 T N 0.824 115.488 114.554 0.183 0.000 2.853 150 T HA 0.366 nan 4.350 nan 0.000 0.311 150 T C -3.074 171.719 174.700 0.154 0.000 1.307 150 T CA -1.625 60.622 62.100 0.245 0.000 1.019 150 T CB 3.944 72.922 68.868 0.183 0.000 1.264 150 T HN 0.245 8.559 8.240 0.123 0.000 0.497 151 V N 4.813 124.805 119.914 0.130 0.000 2.525 151 V HA 0.898 nan 4.120 nan 0.000 0.299 151 V C -2.342 173.817 176.094 0.108 0.000 1.034 151 V CA -2.104 60.242 62.300 0.076 0.000 0.863 151 V CB 2.446 34.275 31.823 0.011 0.000 0.999 151 V HN 0.313 8.606 8.190 0.172 0.000 0.423 152 V N 2.345 122.306 119.914 0.080 0.000 2.919 152 V HA 0.759 nan 4.120 nan 0.000 0.316 152 V C -1.334 174.779 176.094 0.033 0.000 1.077 152 V CA -3.499 58.843 62.300 0.071 0.000 0.977 152 V CB 3.092 34.954 31.823 0.065 0.000 1.039 152 V HN 0.509 8.736 8.190 0.062 0.000 0.441 153 D N 1.782 122.190 120.400 0.013 0.000 2.368 153 D HA -0.056 nan 4.640 nan 0.000 0.240 153 D C 1.318 177.623 176.300 0.008 0.000 1.169 153 D CA 2.042 56.045 54.000 0.005 0.000 0.906 153 D CB 1.104 41.892 40.800 -0.020 0.000 1.187 153 D HN 0.300 8.676 8.370 0.010 0.000 0.435 154 E N 3.135 123.347 120.200 0.020 0.000 2.204 154 E HA -0.315 nan 4.350 nan 0.000 0.195 154 E C 1.626 178.220 176.600 -0.010 0.000 0.990 154 E CA 2.779 59.190 56.400 0.019 0.000 0.821 154 E CB 0.041 29.770 29.700 0.049 0.000 0.750 154 E HN 0.233 8.616 8.360 0.039 0.000 0.477 155 I N -2.885 117.668 120.570 -0.030 0.000 2.454 155 I HA -0.289 nan 4.170 nan 0.000 0.254 155 I C -0.439 175.646 176.117 -0.054 0.000 1.156 155 I CA 2.039 63.308 61.300 -0.051 0.000 1.433 155 I CB 0.314 38.273 38.000 -0.068 0.000 1.082 155 I HN 0.134 8.282 8.210 -0.026 0.046 0.432 156 S N -1.502 114.173 115.700 -0.042 0.000 2.525 156 S HA 0.148 nan 4.470 nan 0.000 0.242 156 S C -1.867 172.716 174.600 -0.029 0.000 1.164 156 S CA -0.814 57.356 58.200 -0.050 0.000 1.154 156 S CB 0.187 63.360 63.200 -0.045 0.000 0.875 156 S HN -0.435 7.682 8.310 -0.028 0.177 0.482 157 V N 0.687 120.588 119.914 -0.021 0.000 2.971 157 V HA 0.409 nan 4.120 nan 0.000 0.309 157 V C -2.693 173.398 176.094 -0.005 0.000 1.130 157 V CA -0.896 61.400 62.300 -0.007 0.000 0.964 157 V CB 4.082 35.908 31.823 0.006 0.000 1.029 157 V HN -0.832 7.343 8.190 -0.024 0.000 0.427 158 A N 5.068 127.889 122.820 0.002 0.000 2.375 158 A HA 0.568 nan 4.320 nan 0.000 0.295 158 A C -1.771 175.822 177.584 0.014 0.000 1.066 158 A CA -1.571 50.472 52.037 0.009 0.000 0.722 158 A CB 2.744 21.752 19.000 0.014 0.000 1.206 158 A HN 0.288 8.440 8.150 0.003 0.000 0.435 159 K N 4.746 125.155 120.400 0.015 0.000 2.416 159 K HA 0.081 nan 4.320 nan 0.000 0.283 159 K C -1.064 175.548 176.600 0.019 0.000 1.037 159 K CA 0.750 57.047 56.287 0.015 0.000 0.995 159 K CB 0.322 32.831 32.500 0.015 0.000 0.938 159 K HN 0.276 8.535 8.250 0.014 0.000 0.475 160 I N 6.825 127.406 120.570 0.019 0.000 2.562 160 I HA 0.029 nan 4.170 nan 0.000 0.301 160 I C -1.712 174.419 176.117 0.023 0.000 1.003 160 I CA -2.274 59.041 61.300 0.024 0.000 1.127 160 I CB 2.962 40.977 38.000 0.025 0.000 1.304 160 I HN 0.486 8.705 8.210 0.016 0.000 0.446 161 D N 5.449 125.865 120.400 0.027 0.000 2.730 161 D HA -0.229 nan 4.640 nan 0.000 0.225 161 D C 1.153 177.465 176.300 0.019 0.000 1.107 161 D CA 0.936 54.950 54.000 0.023 0.000 0.837 161 D CB 1.132 41.948 40.800 0.026 0.000 1.171 161 D HN -0.046 8.344 8.370 0.033 0.000 0.498 162 A N 6.440 129.269 122.820 0.014 0.000 1.978 162 A HA -0.188 nan 4.320 nan 0.000 0.220 162 A C 0.207 177.798 177.584 0.011 0.000 1.170 162 A CA 2.474 54.517 52.037 0.011 0.000 0.636 162 A CB -0.139 18.866 19.000 0.008 0.000 0.810 162 A HN 0.461 8.618 8.150 0.012 0.000 0.448 163 A N -3.237 119.589 122.820 0.011 0.000 2.359 163 A HA 0.123 nan 4.320 nan 0.000 0.240 163 A C -0.189 177.409 177.584 0.023 0.000 1.306 163 A CA -0.494 51.549 52.037 0.010 0.000 0.898 163 A CB -0.092 18.908 19.000 -0.000 0.000 0.956 163 A HN -0.566 7.812 8.150 0.010 -0.222 0.497 164 S N 1.561 117.280 115.700 0.033 0.000 2.531 164 S HA 0.144 nan 4.470 nan 0.000 0.279 164 S C -1.789 172.843 174.600 0.053 0.000 1.305 164 S CA -1.691 56.543 58.200 0.056 0.000 1.058 164 S CB 0.049 63.278 63.200 0.049 0.000 0.899 164 S HN -0.541 7.693 8.310 0.026 0.092 0.493 165 P HA 0.184 nan 4.420 nan 0.000 0.252 165 P C -0.181 177.132 177.300 0.022 0.000 1.727 165 P CA -0.438 62.701 63.100 0.064 0.000 1.134 165 P CB -0.576 31.195 31.700 0.119 0.000 1.876 166 L N 2.773 124.003 121.223 0.012 0.000 2.456 166 L HA -0.436 nan 4.340 nan 0.000 0.225 166 L C 1.248 178.113 176.870 -0.009 0.000 1.142 166 L CA 2.718 57.556 54.840 -0.003 0.000 0.796 166 L CB -0.960 41.101 42.059 0.004 0.000 0.920 166 L HN 0.061 8.274 8.230 0.018 0.028 0.446 167 E N -2.770 117.428 120.200 -0.004 0.000 2.478 167 E HA -0.121 nan 4.350 nan 0.000 0.194 167 E C 0.341 176.921 176.600 -0.034 0.000 1.045 167 E CA 1.562 57.962 56.400 -0.002 0.000 0.868 167 E CB -0.065 29.642 29.700 0.013 0.000 0.885 167 E HN 0.099 8.385 8.360 0.006 0.078 0.505 168 K N -1.292 119.056 120.400 -0.086 0.000 2.309 168 K HA 0.119 nan 4.320 nan 0.000 0.210 168 K C 1.557 177.964 176.600 -0.321 0.000 1.114 168 K CA 1.179 57.347 56.287 -0.199 0.000 0.912 168 K CB 1.178 33.536 32.500 -0.237 0.000 1.198 168 K HN 0.040 8.059 8.250 -0.074 0.187 0.471 169 V N 0.355 120.059 119.914 -0.350 0.000 3.140 169 V HA -0.258 nan 4.120 nan 0.000 0.269 169 V C 1.958 177.977 176.094 -0.127 0.000 1.149 169 V CA 3.328 65.444 62.300 -0.307 0.000 1.162 169 V CB -1.573 30.142 31.823 -0.180 0.000 0.756 169 V HN -0.248 7.783 8.190 -0.266 0.000 0.523 170 C N -0.788 118.467 119.300 -0.075 0.000 2.448 170 C HA -0.108 nan 4.460 nan 0.000 0.280 170 C C 1.804 176.811 174.990 0.028 0.000 1.398 170 C CA 1.931 60.947 59.018 -0.003 0.000 1.774 170 C CB -1.983 25.769 27.740 0.019 0.000 1.888 170 C HN -0.374 7.740 8.230 -0.087 0.065 0.519 171 L N 2.074 123.294 121.223 -0.005 0.000 2.079 171 L HA -0.264 nan 4.340 nan 0.000 0.210 171 L C 1.880 178.839 176.870 0.148 0.000 1.081 171 L CA 2.094 56.966 54.840 0.055 0.000 0.752 171 L CB -0.792 41.271 42.059 0.006 0.000 0.896 171 L HN -0.319 7.846 8.230 -0.067 0.025 0.433 172 I N -1.342 119.285 120.570 0.095 0.000 3.010 172 I HA -0.350 nan 4.170 nan 0.000 0.271 172 I C 0.838 177.152 176.117 0.328 0.000 1.293 172 I CA 1.954 63.372 61.300 0.197 0.000 1.452 172 I CB -0.723 37.327 38.000 0.083 0.000 1.082 172 I HN -0.702 7.376 8.210 -0.013 0.124 0.484 173 G N -2.629 106.344 108.800 0.288 0.000 2.985 173 G HA2 -0.085 nan 3.960 nan 0.000 0.209 173 G HA3 -0.085 nan 3.960 nan 0.000 0.209 173 G C -1.592 173.641 174.900 0.556 0.000 1.165 173 G CA 0.251 45.557 45.100 0.344 0.000 0.776 173 G HN -0.091 8.122 8.290 0.199 0.196 0.541 174 C N -2.448 117.195 119.300 0.572 0.000 3.510 174 C HA 0.225 nan 4.460 nan 0.000 0.107 174 C C 0.547 175.811 174.990 0.457 0.000 2.780 174 C CA 0.935 60.325 59.018 0.620 0.000 0.836 174 C CB -0.629 27.328 27.740 0.362 0.000 1.833 174 C HN -0.097 8.238 8.230 0.454 0.167 0.596 175 G N 2.202 111.180 108.800 0.297 0.000 2.816 175 G HA2 -0.464 nan 3.960 nan 0.000 0.229 175 G HA3 -0.464 nan 3.960 nan 0.000 0.229 175 G C 0.712 175.771 174.900 0.264 0.000 1.158 175 G CA 2.675 47.917 45.100 0.237 0.000 0.761 175 G HN -0.203 8.407 8.290 0.240 -0.176 0.636 176 F N 0.989 121.016 119.950 0.128 0.000 2.094 176 F HA -0.134 nan 4.527 nan 0.000 0.291 176 F C 1.141 177.005 175.800 0.107 0.000 1.109 176 F CA 3.288 61.337 58.000 0.082 0.000 1.221 176 F CB 0.561 39.572 39.000 0.017 0.000 1.014 176 F HN -0.630 7.912 8.300 0.404 0.000 0.473 177 S N -0.788 115.115 115.700 0.339 0.000 2.402 177 S HA -0.460 nan 4.470 nan 0.000 0.233 177 S C 2.570 177.225 174.600 0.091 0.000 1.030 177 S CA 3.732 62.037 58.200 0.174 0.000 1.003 177 S CB -0.362 62.860 63.200 0.036 0.000 0.813 177 S HN 0.348 8.959 8.310 0.501 0.000 0.477 178 T N -1.224 113.406 114.554 0.128 0.000 2.668 178 T HA -0.097 nan 4.350 nan 0.000 0.258 178 T C 1.888 176.562 174.700 -0.043 0.000 1.051 178 T CA 3.760 65.912 62.100 0.086 0.000 1.155 178 T CB -0.385 68.624 68.868 0.235 0.000 0.864 178 T HN 0.146 8.516 8.240 0.250 0.020 0.413 179 G N 1.764 110.528 108.800 -0.061 0.000 2.446 179 G HA2 -0.335 nan 3.960 nan 0.000 0.217 179 G HA3 -0.335 nan 3.960 nan 0.000 0.217 179 G C 0.763 175.494 174.900 -0.281 0.000 1.168 179 G CA 1.951 46.953 45.100 -0.164 0.000 0.771 179 G HN -0.586 7.705 8.290 0.002 0.000 0.551 180 Y N 2.713 122.691 120.300 -0.537 0.000 2.293 180 Y HA -0.319 nan 4.550 nan 0.000 0.291 180 Y C 1.652 177.317 175.900 -0.392 0.000 1.137 180 Y CA 2.975 60.709 58.100 -0.610 0.000 1.202 180 Y CB 0.260 38.006 38.460 -1.190 0.000 0.990 180 Y HN 0.550 8.595 8.280 -0.392 0.000 0.537 181 G N -3.360 105.287 108.800 -0.255 0.000 2.464 181 G HA2 -0.281 nan 3.960 nan 0.000 0.217 181 G HA3 -0.281 nan 3.960 nan 0.000 0.217 181 G C 1.001 175.596 174.900 -0.509 0.000 1.138 181 G CA 1.636 46.330 45.100 -0.676 0.000 0.793 181 G HN -0.253 7.764 8.290 -0.130 0.195 0.539 182 S N 3.611 119.127 115.700 -0.306 0.000 2.345 182 S HA -0.335 nan 4.470 nan 0.000 0.220 182 S C 1.706 176.260 174.600 -0.077 0.000 1.031 182 S CA 4.555 62.672 58.200 -0.138 0.000 0.996 182 S CB -0.395 62.783 63.200 -0.036 0.000 0.882 182 S HN 0.233 8.283 8.310 -0.274 0.096 0.445 183 A N 0.810 123.499 122.820 -0.218 0.000 1.858 183 A HA -0.162 nan 4.320 nan 0.000 0.216 183 A C 1.726 179.152 177.584 -0.262 0.000 1.190 183 A CA 3.291 55.218 52.037 -0.183 0.000 0.617 183 A CB -0.670 18.092 19.000 -0.398 0.000 0.827 183 A HN -0.485 7.455 8.150 -0.350 0.000 0.443 184 V N -3.461 116.195 119.914 -0.430 0.000 2.719 184 V HA -0.180 nan 4.120 nan 0.000 0.252 184 V C 1.052 176.973 176.094 -0.288 0.000 1.065 184 V CA 2.930 64.996 62.300 -0.389 0.000 1.086 184 V CB -0.340 31.161 31.823 -0.537 0.000 0.700 184 V HN -0.275 7.581 8.190 -0.556 0.000 0.467 185 K N -1.949 118.244 120.400 -0.345 0.000 2.267 185 K HA 0.069 nan 4.320 nan 0.000 0.213 185 K C 1.593 178.071 176.600 -0.203 0.000 1.060 185 K CA 1.775 57.876 56.287 -0.310 0.000 0.935 185 K CB 1.650 33.819 32.500 -0.552 0.000 1.096 185 K HN -0.442 7.450 8.250 -0.410 0.113 0.468 186 V N -1.400 118.396 119.914 -0.197 0.000 2.221 186 V HA -0.165 nan 4.120 nan 0.000 0.242 186 V C 1.874 177.949 176.094 -0.032 0.000 1.041 186 V CA 3.539 65.781 62.300 -0.097 0.000 0.995 186 V CB -0.515 31.262 31.823 -0.077 0.000 0.635 186 V HN -0.054 7.979 8.190 -0.263 0.000 0.448 187 A N -1.652 121.175 122.820 0.012 0.000 1.969 187 A HA -0.184 nan 4.320 nan 0.000 0.218 187 A C 0.171 177.776 177.584 0.035 0.000 1.169 187 A CA 1.721 53.792 52.037 0.057 0.000 0.635 187 A CB 0.028 19.069 19.000 0.068 0.000 0.810 187 A HN 0.185 8.355 8.150 0.034 0.000 0.445 188 K N -4.536 115.820 120.400 -0.073 0.000 3.898 188 K HA -0.351 nan 4.320 nan 0.000 0.282 188 K C -0.906 175.532 176.600 -0.270 0.000 1.014 188 K CA -0.129 56.092 56.287 -0.111 0.000 0.848 188 K CB -2.386 30.106 32.500 -0.013 0.000 1.469 188 K HN -0.457 7.712 8.250 -0.092 0.026 0.446 189 V N -1.332 118.285 119.914 -0.495 0.000 2.655 189 V HA -0.023 nan 4.120 nan 0.000 0.300 189 V C 0.238 176.080 176.094 -0.420 0.000 1.044 189 V CA 1.288 63.061 62.300 -0.879 0.000 1.095 189 V CB -0.406 31.068 31.823 -0.583 0.000 0.952 189 V HN -0.216 7.763 8.190 -0.352 0.000 0.485 190 T N 4.022 118.400 114.554 -0.293 0.000 2.888 190 T HA 0.351 nan 4.350 nan 0.000 0.284 190 T C -0.670 174.029 174.700 -0.002 0.000 1.017 190 T CA -2.261 59.817 62.100 -0.037 0.000 1.022 190 T CB 1.971 70.908 68.868 0.114 0.000 1.013 190 T HN -0.087 7.886 8.240 -0.445 0.000 0.465 191 Q N 4.082 123.885 119.800 0.004 0.000 2.263 191 Q HA -0.507 nan 4.340 nan 0.000 0.289 191 Q C 0.907 176.931 176.000 0.039 0.000 1.061 191 Q CA 1.801 57.613 55.803 0.015 0.000 0.927 191 Q CB -0.143 28.603 28.738 0.014 0.000 1.154 191 Q HN 0.608 8.879 8.270 0.000 0.000 0.378 192 G N 5.616 114.443 108.800 0.044 0.000 2.254 192 G HA2 -0.393 nan 3.960 nan 0.000 0.225 192 G HA3 -0.393 nan 3.960 nan 0.000 0.225 192 G C -0.073 174.880 174.900 0.088 0.000 1.003 192 G CA -0.300 44.833 45.100 0.056 0.000 0.622 192 G HN 0.755 8.958 8.290 0.033 0.107 0.507 193 S N 1.491 117.270 115.700 0.132 0.000 2.650 193 S HA -0.076 nan 4.470 nan 0.000 0.251 193 S C -1.008 173.696 174.600 0.174 0.000 1.325 193 S CA 1.601 59.933 58.200 0.219 0.000 0.967 193 S CB 1.358 64.837 63.200 0.465 0.000 1.000 193 S HN -0.183 8.131 8.310 0.115 0.064 0.584 194 T N 2.285 116.970 114.554 0.220 0.000 2.965 194 T HA 0.363 nan 4.350 nan 0.000 0.306 194 T C -0.956 173.874 174.700 0.217 0.000 0.991 194 T CA -0.277 61.918 62.100 0.158 0.000 1.001 194 T CB 1.680 70.608 68.868 0.099 0.000 0.984 194 T HN 0.072 8.487 8.240 0.292 0.000 0.446 195 C N 5.097 124.524 119.300 0.212 0.000 2.407 195 C HA 1.116 nan 4.460 nan 0.000 0.366 195 C C -1.610 173.509 174.990 0.216 0.000 1.213 195 C CA -2.859 56.326 59.018 0.279 0.000 2.011 195 C CB 3.113 31.067 27.740 0.356 0.000 2.306 195 C HN 0.576 8.903 8.230 0.162 0.000 0.527 196 A N -0.658 122.336 122.820 0.290 0.000 2.427 196 A HA 0.764 nan 4.320 nan 0.000 0.298 196 A C -2.620 175.208 177.584 0.406 0.000 1.036 196 A CA -0.808 51.372 52.037 0.238 0.000 0.701 196 A CB 2.511 21.651 19.000 0.233 0.000 1.250 196 A HN 0.275 8.650 8.150 0.375 0.000 0.412 197 V N 1.355 121.415 119.914 0.243 0.000 2.540 197 V HA 0.727 nan 4.120 nan 0.000 0.302 197 V C -1.612 174.613 176.094 0.219 0.000 1.035 197 V CA -1.521 60.964 62.300 0.308 0.000 0.873 197 V CB 2.065 33.956 31.823 0.113 0.000 0.992 197 V HN 0.592 8.825 8.190 0.071 0.000 0.428 198 F N 4.885 124.917 119.950 0.137 0.000 2.332 198 F HA 0.619 nan 4.527 nan 0.000 0.368 198 F C -0.734 175.130 175.800 0.108 0.000 1.110 198 F CA -2.644 55.425 58.000 0.115 0.000 1.087 198 F CB 0.843 39.911 39.000 0.112 0.000 1.235 198 F HN 0.621 9.335 8.300 0.690 0.000 0.470 199 G N 4.949 113.875 108.800 0.211 0.000 3.393 199 G HA2 -0.230 nan 3.960 nan 0.000 0.676 199 G HA3 -0.230 nan 3.960 nan 0.000 0.676 199 G C -2.104 172.868 174.900 0.121 0.000 1.224 199 G CA -0.264 44.933 45.100 0.162 0.000 1.109 199 G HN 0.308 8.686 8.290 0.146 0.000 0.519 200 L N 4.137 125.427 121.223 0.111 0.000 3.034 200 L HA 0.260 nan 4.340 nan 0.000 0.245 200 L C 0.047 176.966 176.870 0.081 0.000 1.295 200 L CA -1.031 53.870 54.840 0.101 0.000 1.068 200 L CB -0.506 41.637 42.059 0.140 0.000 1.426 200 L HN 0.261 8.851 8.230 0.114 -0.292 0.531 201 G N -0.726 108.117 108.800 0.071 0.000 2.504 201 G HA2 0.064 nan 3.960 nan 0.000 0.257 201 G HA3 0.064 nan 3.960 nan 0.000 0.257 201 G C 0.617 175.553 174.900 0.060 0.000 1.451 201 G CA -0.745 44.389 45.100 0.055 0.000 1.059 201 G HN -0.480 7.767 8.290 0.079 0.090 0.550 202 G N -1.914 106.919 108.800 0.056 0.000 2.418 202 G HA2 -0.254 nan 3.960 nan 0.000 0.217 202 G HA3 -0.254 nan 3.960 nan 0.000 0.217 202 G C 1.110 176.062 174.900 0.087 0.000 1.158 202 G CA 1.834 46.978 45.100 0.074 0.000 0.771 202 G HN 0.314 8.628 8.290 0.041 0.000 0.545 203 V N -2.512 117.448 119.914 0.076 0.000 2.379 203 V HA -0.102 nan 4.120 nan 0.000 0.245 203 V C 2.274 178.380 176.094 0.019 0.000 1.044 203 V CA 2.777 65.114 62.300 0.062 0.000 1.036 203 V CB -1.111 30.758 31.823 0.077 0.000 0.664 203 V HN -0.096 8.137 8.190 0.071 0.000 0.453 204 G N 1.163 109.983 108.800 0.033 0.000 2.491 204 G HA2 -0.391 nan 3.960 nan 0.000 0.218 204 G HA3 -0.391 nan 3.960 nan 0.000 0.218 204 G C 1.131 176.028 174.900 -0.005 0.000 1.180 204 G CA 2.340 47.449 45.100 0.015 0.000 0.774 204 G HN -0.167 8.156 8.290 0.054 0.000 0.562 205 L N -1.222 120.023 121.223 0.036 0.000 2.191 205 L HA -0.356 nan 4.340 nan 0.000 0.212 205 L C 2.427 179.326 176.870 0.047 0.000 1.103 205 L CA 2.794 57.665 54.840 0.052 0.000 0.769 205 L CB -0.477 41.632 42.059 0.084 0.000 0.908 205 L HN 0.444 8.707 8.230 0.054 0.000 0.438 206 S N -0.201 115.519 115.700 0.034 0.000 2.406 206 S HA -0.197 nan 4.470 nan 0.000 0.228 206 S C 1.929 176.446 174.600 -0.139 0.000 1.020 206 S CA 3.683 61.879 58.200 -0.007 0.000 0.965 206 S CB -0.462 62.729 63.200 -0.014 0.000 0.798 206 S HN -0.706 7.482 8.310 0.038 0.145 0.488 207 V N 3.528 123.325 119.914 -0.196 0.000 2.295 207 V HA -0.413 nan 4.120 nan 0.000 0.246 207 V C 1.331 177.240 176.094 -0.309 0.000 1.049 207 V CA 4.711 66.783 62.300 -0.381 0.000 1.024 207 V CB -0.788 30.680 31.823 -0.591 0.000 0.648 207 V HN 0.233 8.234 8.190 -0.143 0.104 0.447 208 I N -1.466 118.998 120.570 -0.176 0.000 2.315 208 I HA -0.647 nan 4.170 nan 0.000 0.251 208 I C 1.891 177.983 176.117 -0.041 0.000 1.125 208 I CA 4.328 65.574 61.300 -0.090 0.000 1.392 208 I CB -0.539 37.447 38.000 -0.023 0.000 1.065 208 I HN -0.188 7.937 8.210 -0.142 0.000 0.424 209 M N -2.507 117.094 119.600 0.001 0.000 2.175 209 M HA -0.281 nan 4.480 nan 0.000 0.264 209 M C 2.515 178.862 176.300 0.078 0.000 1.063 209 M CA 3.952 59.323 55.300 0.118 0.000 1.119 209 M CB -0.743 32.003 32.600 0.242 0.000 1.377 209 M HN -0.336 7.830 8.290 -0.013 0.117 0.415 210 G N -0.563 108.153 108.800 -0.140 0.000 2.404 210 G HA2 -0.307 nan 3.960 nan 0.000 0.214 210 G HA3 -0.307 nan 3.960 nan 0.000 0.214 210 G C 1.017 175.732 174.900 -0.307 0.000 1.189 210 G CA 1.929 46.746 45.100 -0.472 0.000 0.789 210 G HN -0.252 7.813 8.290 -0.171 0.123 0.533 211 C N 2.788 121.945 119.300 -0.239 0.000 2.385 211 C HA -0.399 nan 4.460 nan 0.000 0.275 211 C C 2.051 176.986 174.990 -0.092 0.000 1.207 211 C CA 4.030 62.956 59.018 -0.154 0.000 1.760 211 C CB -1.698 25.988 27.740 -0.091 0.000 2.051 211 C HN 0.297 8.361 8.230 -0.276 0.000 0.467 212 K N -0.236 120.137 120.400 -0.046 0.000 2.209 212 K HA -0.290 nan 4.320 nan 0.000 0.204 212 K C 0.979 177.590 176.600 0.018 0.000 1.048 212 K CA 2.613 58.903 56.287 0.004 0.000 0.940 212 K CB -0.181 32.343 32.500 0.040 0.000 0.729 212 K HN -0.080 8.140 8.250 -0.049 0.000 0.451 213 A N -1.555 121.268 122.820 0.005 0.000 2.021 213 A HA -0.023 nan 4.320 nan 0.000 0.216 213 A C 1.174 178.739 177.584 -0.031 0.000 1.163 213 A CA 1.431 53.491 52.037 0.039 0.000 0.676 213 A CB 0.158 19.222 19.000 0.107 0.000 0.818 213 A HN -0.267 7.714 8.150 -0.031 0.150 0.453 214 A N -2.960 119.798 122.820 -0.104 0.000 2.119 214 A HA -0.002 nan 4.320 nan 0.000 0.216 214 A C 0.539 178.082 177.584 -0.068 0.000 1.152 214 A CA 0.359 52.325 52.037 -0.118 0.000 0.708 214 A CB 0.302 19.182 19.000 -0.200 0.000 0.805 214 A HN 0.102 7.937 8.150 -0.133 0.236 0.460 215 G N -2.940 105.836 108.800 -0.040 0.000 2.134 215 G HA2 -0.303 nan 3.960 nan 0.000 0.209 215 G HA3 -0.303 nan 3.960 nan 0.000 0.209 215 G C -0.817 174.081 174.900 -0.004 0.000 0.993 215 G CA -0.306 44.787 45.100 -0.011 0.000 0.669 215 G HN -0.428 7.689 8.290 -0.039 0.150 0.519 216 A N 0.661 123.472 122.820 -0.016 0.000 2.540 216 A HA 0.083 nan 4.320 nan 0.000 0.239 216 A C -0.953 176.649 177.584 0.031 0.000 1.061 216 A CA 0.626 52.672 52.037 0.015 0.000 0.758 216 A CB -0.015 18.994 19.000 0.016 0.000 0.991 216 A HN -0.528 7.599 8.150 -0.039 0.000 0.502 217 A N 4.093 126.941 122.820 0.047 0.000 1.975 217 A HA 0.047 nan 4.320 nan 0.000 0.215 217 A C 0.185 177.791 177.584 0.037 0.000 1.170 217 A CA 1.233 53.294 52.037 0.039 0.000 0.656 217 A CB 0.748 19.773 19.000 0.042 0.000 0.821 217 A HN 0.590 8.654 8.150 0.063 0.124 0.449 218 R N -3.534 116.995 120.500 0.048 0.000 2.750 218 R HA 0.393 nan 4.340 nan 0.000 0.281 218 R C -1.863 174.465 176.300 0.047 0.000 0.972 218 R CA -1.190 54.933 56.100 0.039 0.000 0.912 218 R CB 3.672 33.995 30.300 0.037 0.000 1.187 218 R HN -0.660 7.648 8.270 0.064 0.000 0.464 219 I N 1.919 122.506 120.570 0.028 0.000 2.540 219 I HA 0.348 nan 4.170 nan 0.000 0.280 219 I C -1.378 174.736 176.117 -0.005 0.000 1.083 219 I CA -0.557 60.760 61.300 0.029 0.000 1.080 219 I CB 1.710 39.721 38.000 0.019 0.000 1.205 219 I HN 1.008 9.227 8.210 0.014 0.000 0.459 220 I N 7.186 127.752 120.570 -0.007 0.000 2.291 220 I HA 0.306 nan 4.170 nan 0.000 0.292 220 I C -0.438 175.616 176.117 -0.105 0.000 1.064 220 I CA -0.792 60.466 61.300 -0.070 0.000 1.269 220 I CB -0.193 37.763 38.000 -0.074 0.000 1.418 220 I HN 0.251 8.480 8.210 0.031 0.000 0.485 221 G N 7.360 116.075 108.800 -0.142 0.000 2.372 221 G HA2 0.449 nan 3.960 nan 0.000 0.283 221 G HA3 0.449 nan 3.960 nan 0.000 0.283 221 G C -2.263 172.501 174.900 -0.227 0.000 1.177 221 G CA -1.045 43.973 45.100 -0.136 0.000 0.842 221 G HN 0.264 8.461 8.290 -0.156 0.000 0.503 222 V N 3.674 123.450 119.914 -0.230 0.000 2.540 222 V HA 0.779 nan 4.120 nan 0.000 0.302 222 V C -1.975 174.113 176.094 -0.010 0.000 1.035 222 V CA -1.683 60.467 62.300 -0.249 0.000 0.873 222 V CB 1.874 33.264 31.823 -0.720 0.000 0.992 222 V HN 0.667 8.735 8.190 -0.203 0.000 0.428 223 D N 5.903 126.418 120.400 0.192 0.000 2.745 223 D HA 0.241 nan 4.640 nan 0.000 0.221 223 D C -1.012 175.409 176.300 0.202 0.000 1.237 223 D CA -0.393 53.739 54.000 0.220 0.000 0.781 223 D CB 4.478 45.437 40.800 0.265 0.000 1.575 223 D HN -0.286 8.238 8.370 0.257 0.000 0.482 224 I N -4.029 116.607 120.570 0.112 0.000 3.646 224 I HA -0.025 nan 4.170 nan 0.000 0.301 224 I C -0.891 175.212 176.117 -0.023 0.000 1.276 224 I CA 0.057 61.397 61.300 0.066 0.000 1.254 224 I CB -0.586 37.451 38.000 0.062 0.000 1.020 224 I HN 0.194 8.469 8.210 0.108 0.000 0.473 225 N N 1.138 119.788 118.700 -0.084 0.000 2.626 225 N HA 0.191 nan 4.740 nan 0.000 0.242 225 N C 0.050 175.278 175.510 -0.471 0.000 1.005 225 N CA -1.399 51.541 53.050 -0.183 0.000 0.905 225 N CB 0.927 39.352 38.487 -0.103 0.000 1.128 225 N HN -0.541 7.958 8.380 -0.031 -0.138 0.512 226 K N 6.096 126.145 120.400 -0.586 0.000 2.173 226 K HA -0.444 nan 4.320 nan 0.000 0.207 226 K C 0.976 177.100 176.600 -0.794 0.000 1.046 226 K CA 3.678 59.351 56.287 -1.023 0.000 0.929 226 K CB -0.204 32.011 32.500 -0.475 0.000 0.720 226 K HN 0.594 8.628 8.250 -0.360 0.000 0.453 227 D N -2.488 117.682 120.400 -0.384 0.000 2.218 227 D HA -0.208 nan 4.640 nan 0.000 0.204 227 D C 2.142 178.363 176.300 -0.132 0.000 0.976 227 D CA 2.872 56.754 54.000 -0.197 0.000 0.853 227 D CB -0.984 39.750 40.800 -0.109 0.000 0.939 227 D HN 0.208 8.367 8.370 -0.314 0.023 0.481 228 K N -0.612 119.691 120.400 -0.161 0.000 2.365 228 K HA -0.128 nan 4.320 nan 0.000 0.199 228 K C 2.090 178.793 176.600 0.173 0.000 1.045 228 K CA 1.214 57.508 56.287 0.013 0.000 0.962 228 K CB -0.610 31.921 32.500 0.052 0.000 0.759 228 K HN -0.070 7.857 8.250 -0.291 0.149 0.469 229 F N -0.970 118.990 119.950 0.016 0.000 2.120 229 F HA -0.352 nan 4.527 nan 0.000 0.300 229 F C 1.617 177.427 175.800 0.017 0.000 1.095 229 F CA 1.575 59.583 58.000 0.014 0.000 1.249 229 F CB -1.607 37.400 39.000 0.011 0.000 0.995 229 F HN 0.027 8.023 8.300 -0.232 0.164 0.480 230 A N -1.724 121.214 122.820 0.197 0.000 1.877 230 A HA -0.367 nan 4.320 nan 0.000 0.216 230 A C 2.105 179.747 177.584 0.097 0.000 1.186 230 A CA 3.571 55.680 52.037 0.120 0.000 0.620 230 A CB -0.990 18.059 19.000 0.081 0.000 0.822 230 A HN -0.188 8.058 8.150 0.161 0.000 0.443 231 K N -1.091 119.365 120.400 0.093 0.000 2.063 231 K HA -0.316 nan 4.320 nan 0.000 0.208 231 K C 2.125 178.777 176.600 0.087 0.000 1.048 231 K CA 2.237 58.573 56.287 0.081 0.000 0.928 231 K CB -0.624 31.923 32.500 0.078 0.000 0.713 231 K HN -0.323 7.983 8.250 0.094 0.000 0.442 232 A N -0.833 122.049 122.820 0.104 0.000 1.842 232 A HA -0.358 nan 4.320 nan 0.000 0.217 232 A C 2.163 179.785 177.584 0.062 0.000 1.206 232 A CA 3.403 55.492 52.037 0.087 0.000 0.630 232 A CB -0.842 18.221 19.000 0.105 0.000 0.839 232 A HN -0.418 7.806 8.150 0.130 0.004 0.447 233 K N -2.972 117.464 120.400 0.060 0.000 2.113 233 K HA -0.404 nan 4.320 nan 0.000 0.208 233 K C 2.204 178.832 176.600 0.047 0.000 1.047 233 K CA 3.307 59.619 56.287 0.041 0.000 0.928 233 K CB -0.212 32.311 32.500 0.040 0.000 0.716 233 K HN -0.397 7.901 8.250 0.080 0.000 0.446 234 E N -2.784 117.451 120.200 0.057 0.000 2.051 234 E HA -0.215 nan 4.350 nan 0.000 0.192 234 E C 2.361 178.999 176.600 0.063 0.000 0.991 234 E CA 2.273 58.707 56.400 0.057 0.000 0.799 234 E CB 0.374 30.109 29.700 0.058 0.000 0.748 234 E HN -0.393 7.914 8.360 0.065 0.092 0.449 235 V N -8.396 111.560 119.914 0.071 0.000 2.719 235 V HA 0.088 nan 4.120 nan 0.000 0.252 235 V C 0.975 177.115 176.094 0.075 0.000 1.065 235 V CA 1.392 63.743 62.300 0.085 0.000 1.086 235 V CB 0.456 32.340 31.823 0.100 0.000 0.700 235 V HN -0.153 8.080 8.190 0.070 0.000 0.467 236 G N -2.570 106.263 108.800 0.055 0.000 4.142 236 G HA2 -0.123 nan 3.960 nan 0.000 0.200 236 G HA3 -0.123 nan 3.960 nan 0.000 0.200 236 G C -1.078 173.838 174.900 0.026 0.000 0.811 236 G CA 0.391 45.517 45.100 0.043 0.000 0.855 236 G HN -0.215 8.106 8.290 0.051 0.000 0.455 237 A N 1.399 124.230 122.820 0.019 0.000 2.577 237 A HA -0.093 nan 4.320 nan 0.000 0.233 237 A C 0.466 178.048 177.584 -0.003 0.000 1.076 237 A CA 1.370 53.407 52.037 -0.000 0.000 0.767 237 A CB 0.455 19.446 19.000 -0.016 0.000 1.017 237 A HN -0.610 7.556 8.150 0.027 0.000 0.511 238 T N -4.979 109.566 114.554 -0.015 0.000 2.990 238 T HA 0.213 nan 4.350 nan 0.000 0.249 238 T C 0.563 175.243 174.700 -0.033 0.000 1.039 238 T CA 0.057 62.150 62.100 -0.013 0.000 1.036 238 T CB 1.412 70.279 68.868 -0.003 0.000 0.994 238 T HN 0.485 8.597 8.240 -0.020 0.116 0.489 239 E N -1.288 118.872 120.200 -0.066 0.000 2.409 239 E HA 0.175 nan 4.350 nan 0.000 0.280 239 E C -3.149 173.327 176.600 -0.207 0.000 1.079 239 E CA -0.981 55.353 56.400 -0.110 0.000 0.840 239 E CB 2.222 31.870 29.700 -0.085 0.000 1.309 239 E HN -0.511 7.808 8.360 -0.068 0.000 0.447 240 C N -0.603 118.485 119.300 -0.353 0.000 2.609 240 C HA 0.862 nan 4.460 nan 0.000 0.313 240 C C -0.832 173.716 174.990 -0.736 0.000 1.175 240 C CA -1.148 57.444 59.018 -0.711 0.000 1.434 240 C CB 1.614 28.627 27.740 -1.211 0.000 2.005 240 C HN 0.224 8.277 8.230 -0.295 0.000 0.471 241 V N 3.790 123.370 119.914 -0.557 0.000 2.588 241 V HA 0.255 nan 4.120 nan 0.000 0.304 241 V C -2.335 173.809 176.094 0.083 0.000 1.042 241 V CA -0.923 61.289 62.300 -0.147 0.000 0.877 241 V CB 3.603 35.388 31.823 -0.063 0.000 0.996 241 V HN 1.064 8.936 8.190 -0.531 0.000 0.425 242 N N 5.253 124.152 118.700 0.331 0.000 2.446 242 N HA 0.432 nan 4.740 nan 0.000 0.265 242 N C -0.739 174.961 175.510 0.317 0.000 0.975 242 N CA -3.531 49.747 53.050 0.380 0.000 0.928 242 N CB 2.607 41.331 38.487 0.396 0.000 1.160 242 N HN 0.222 8.794 8.380 0.320 0.000 0.495 243 P HA -0.317 nan 4.420 nan 0.000 0.220 243 P C 0.908 178.349 177.300 0.236 0.000 1.155 243 P CA 2.773 66.021 63.100 0.248 0.000 0.880 243 P CB 0.198 31.995 31.700 0.163 0.000 0.790 244 Q N -4.151 115.737 119.800 0.148 0.000 2.436 244 Q HA -0.234 nan 4.340 nan 0.000 0.209 244 Q C 0.804 176.820 176.000 0.028 0.000 0.965 244 Q CA 2.124 57.979 55.803 0.085 0.000 0.910 244 Q CB -0.908 27.863 28.738 0.055 0.000 0.980 244 Q HN 0.240 8.668 8.270 0.142 -0.073 0.491 245 D N -1.680 118.696 120.400 -0.040 0.000 2.277 245 D HA -0.074 nan 4.640 nan 0.000 0.208 245 D C -0.017 176.080 176.300 -0.338 0.000 0.962 245 D CA 1.765 55.615 54.000 -0.250 0.000 0.865 245 D CB 0.546 41.066 40.800 -0.467 0.000 0.939 245 D HN -0.215 8.011 8.370 0.031 0.163 0.510 246 Y N -1.400 118.918 120.300 0.030 0.000 2.419 246 Y HA 0.093 nan 4.550 nan 0.000 0.328 246 Y C 0.867 176.780 175.900 0.021 0.000 1.162 246 Y CA -0.576 57.537 58.100 0.022 0.000 1.174 246 Y CB 1.405 39.877 38.460 0.020 0.000 1.228 246 Y HN -0.659 7.689 8.280 0.170 0.035 0.473 247 K N 0.966 121.476 120.400 0.185 0.000 2.393 247 K HA -0.073 nan 4.320 nan 0.000 0.193 247 K C -1.078 175.580 176.600 0.096 0.000 1.026 247 K CA 0.541 56.892 56.287 0.107 0.000 1.064 247 K CB 0.279 32.822 32.500 0.071 0.000 0.833 247 K HN 0.546 8.925 8.250 0.214 0.000 0.521 248 K N -1.274 119.195 120.400 0.115 0.000 2.371 248 K HA 0.449 nan 4.320 nan 0.000 0.251 248 K C -2.445 174.175 176.600 0.033 0.000 0.934 248 K CA -2.945 53.375 56.287 0.056 0.000 0.798 248 K CB 0.291 32.810 32.500 0.031 0.000 1.204 248 K HN -0.693 7.613 8.250 0.182 0.054 0.427 249 P HA -0.106 nan 4.420 nan 0.000 0.265 249 P C 0.343 177.625 177.300 -0.030 0.000 1.167 249 P CA 0.163 63.270 63.100 0.011 0.000 0.760 249 P CB 0.410 32.113 31.700 0.004 0.000 0.783 250 I N 2.040 122.607 120.570 -0.006 0.000 2.286 250 I HA -0.494 nan 4.170 nan 0.000 0.248 250 I C 0.940 177.040 176.117 -0.028 0.000 1.115 250 I CA 2.842 64.116 61.300 -0.043 0.000 1.392 250 I CB 0.035 38.064 38.000 0.048 0.000 1.065 250 I HN 0.542 8.775 8.210 0.038 0.000 0.418 251 Q N -1.387 118.424 119.800 0.019 0.000 2.124 251 Q HA -0.334 nan 4.340 nan 0.000 0.202 251 Q C 1.969 177.944 176.000 -0.043 0.000 0.977 251 Q CA 3.871 59.678 55.803 0.006 0.000 0.850 251 Q CB -1.407 27.320 28.738 -0.018 0.000 0.901 251 Q HN 0.297 8.587 8.270 0.033 0.000 0.429 252 E N -0.947 119.220 120.200 -0.055 0.000 2.051 252 E HA -0.273 nan 4.350 nan 0.000 0.192 252 E C 2.418 178.957 176.600 -0.101 0.000 0.991 252 E CA 3.109 59.469 56.400 -0.067 0.000 0.799 252 E CB -0.549 29.119 29.700 -0.053 0.000 0.748 252 E HN 0.146 8.408 8.360 -0.043 0.072 0.449 253 V N 0.402 120.218 119.914 -0.164 0.000 2.392 253 V HA -0.334 nan 4.120 nan 0.000 0.249 253 V C 2.298 178.273 176.094 -0.199 0.000 1.059 253 V CA 4.358 66.496 62.300 -0.270 0.000 1.051 253 V CB -0.954 30.498 31.823 -0.618 0.000 0.658 253 V HN 0.087 8.119 8.190 -0.157 0.064 0.455 254 L N -1.951 119.186 121.223 -0.144 0.000 2.072 254 L HA -0.406 nan 4.340 nan 0.000 0.205 254 L C 2.360 179.191 176.870 -0.065 0.000 1.079 254 L CA 3.610 58.397 54.840 -0.089 0.000 0.752 254 L CB -0.342 41.700 42.059 -0.028 0.000 0.906 254 L HN 0.453 8.397 8.230 -0.127 0.210 0.436 255 T N 2.203 116.719 114.554 -0.064 0.000 2.652 255 T HA -0.418 nan 4.350 nan 0.000 0.267 255 T C 2.219 176.884 174.700 -0.058 0.000 1.039 255 T CA 5.171 67.232 62.100 -0.064 0.000 1.153 255 T CB -0.755 68.072 68.868 -0.068 0.000 0.863 255 T HN 0.427 8.518 8.240 -0.064 0.110 0.428 256 E N 1.411 121.576 120.200 -0.060 0.000 2.049 256 E HA -0.407 nan 4.350 nan 0.000 0.198 256 E C 2.743 179.318 176.600 -0.042 0.000 1.007 256 E CA 3.098 59.469 56.400 -0.048 0.000 0.809 256 E CB -0.294 29.376 29.700 -0.050 0.000 0.749 256 E HN -0.159 8.160 8.360 -0.069 0.000 0.450 257 M N -0.908 118.660 119.600 -0.053 0.000 2.108 257 M HA -0.347 nan 4.480 nan 0.000 0.261 257 M C 2.041 178.324 176.300 -0.029 0.000 1.066 257 M CA 3.736 59.010 55.300 -0.043 0.000 1.107 257 M CB 0.282 32.846 32.600 -0.060 0.000 1.356 257 M HN -0.355 7.892 8.290 -0.073 0.000 0.406 258 S N -5.062 110.619 115.700 -0.032 0.000 2.593 258 S HA -0.128 nan 4.470 nan 0.000 0.217 258 S C 0.082 174.670 174.600 -0.019 0.000 0.966 258 S CA 0.787 58.974 58.200 -0.021 0.000 0.914 258 S CB -0.172 63.013 63.200 -0.025 0.000 0.776 258 S HN -0.112 8.064 8.310 -0.042 0.109 0.523 259 N N 0.948 119.634 118.700 -0.023 0.000 2.753 259 N HA -0.294 nan 4.740 nan 0.000 0.252 259 N C 0.244 175.736 175.510 -0.029 0.000 1.071 259 N CA 0.494 53.533 53.050 -0.019 0.000 0.690 259 N CB -0.726 37.757 38.487 -0.005 0.000 0.906 259 N HN -0.405 7.762 8.380 -0.027 0.197 0.552 260 G N -3.123 105.650 108.800 -0.045 0.000 2.218 260 G HA2 -0.294 nan 3.960 nan 0.000 0.216 260 G HA3 -0.294 nan 3.960 nan 0.000 0.216 260 G C -2.086 172.756 174.900 -0.097 0.000 0.994 260 G CA -0.073 44.989 45.100 -0.065 0.000 0.637 260 G HN 0.602 8.766 8.290 -0.044 0.099 0.505 261 G N -3.597 105.149 108.800 -0.091 0.000 2.326 261 G HA2 -0.146 nan 3.960 nan 0.000 0.413 261 G HA3 -0.146 nan 3.960 nan 0.000 0.413 261 G C -1.772 173.063 174.900 -0.109 0.000 1.444 261 G CA -0.432 44.598 45.100 -0.116 0.000 1.002 261 G HN -1.126 7.017 8.290 -0.066 0.107 0.649 262 V N -1.239 118.614 119.914 -0.101 0.000 2.834 262 V HA 0.209 nan 4.120 nan 0.000 0.301 262 V C 0.567 176.576 176.094 -0.141 0.000 1.066 262 V CA -0.235 62.027 62.300 -0.064 0.000 1.052 262 V CB 1.022 32.843 31.823 -0.003 0.000 1.021 262 V HN 0.285 8.306 8.190 -0.102 0.109 0.480 263 D N 4.441 124.798 120.400 -0.072 0.000 2.120 263 D HA 0.030 nan 4.640 nan 0.000 0.202 263 D C -0.218 175.730 176.300 -0.586 0.000 0.972 263 D CA 3.799 57.650 54.000 -0.249 0.000 0.837 263 D CB 1.558 42.360 40.800 0.004 0.000 0.989 263 D HN 0.251 8.645 8.370 0.041 0.000 0.469 264 F N -4.153 115.752 119.950 -0.075 0.000 2.573 264 F HA 0.432 nan 4.527 nan 0.000 0.316 264 F C -1.948 173.704 175.800 -0.247 0.000 1.148 264 F CA -1.663 56.207 58.000 -0.216 0.000 0.940 264 F CB 3.472 42.343 39.000 -0.216 0.000 1.214 264 F HN -0.663 7.788 8.300 0.253 0.000 0.448 265 S N 0.814 116.396 115.700 -0.196 0.000 2.566 265 S HA 0.873 nan 4.470 nan 0.000 0.298 265 S C -1.491 172.954 174.600 -0.258 0.000 1.083 265 S CA -1.880 56.294 58.200 -0.043 0.000 0.978 265 S CB 2.635 65.856 63.200 0.034 0.000 1.073 265 S HN 0.528 8.677 8.310 -0.268 0.000 0.491 266 F N -1.418 118.639 119.950 0.177 0.000 2.556 266 F HA 0.469 nan 4.527 nan 0.000 0.314 266 F C -1.599 174.279 175.800 0.130 0.000 1.106 266 F CA -1.153 56.926 58.000 0.131 0.000 0.911 266 F CB 3.913 42.984 39.000 0.118 0.000 1.190 266 F HN 0.772 9.412 8.300 0.568 0.000 0.448 267 E N 3.240 123.583 120.200 0.238 0.000 2.063 267 E HA 0.430 nan 4.350 nan 0.000 0.265 267 E C -2.034 174.674 176.600 0.179 0.000 0.919 267 E CA -0.967 55.520 56.400 0.144 0.000 0.756 267 E CB 1.454 31.183 29.700 0.049 0.000 1.120 267 E HN 0.350 8.852 8.360 0.238 0.000 0.414 268 V N 8.231 128.268 119.914 0.206 0.000 2.446 268 V HA 0.498 nan 4.120 nan 0.000 0.257 268 V C -2.322 173.864 176.094 0.153 0.000 1.036 268 V CA -1.346 61.048 62.300 0.157 0.000 1.196 268 V CB -0.936 30.963 31.823 0.127 0.000 1.446 268 V HN 0.646 8.993 8.190 0.263 0.000 0.558 269 I N 2.070 122.730 120.570 0.150 0.000 3.557 269 I HA 0.285 nan 4.170 nan 0.000 0.259 269 I C -0.829 175.377 176.117 0.148 0.000 1.108 269 I CA 0.321 61.710 61.300 0.148 0.000 1.536 269 I CB 3.477 41.574 38.000 0.162 0.000 1.727 269 I HN 0.415 8.995 8.210 0.139 -0.287 0.408 270 G N -3.158 105.713 108.800 0.119 0.000 2.370 270 G HA2 -0.176 nan 3.960 nan 0.000 0.174 270 G HA3 -0.176 nan 3.960 nan 0.000 0.174 270 G C -1.394 173.538 174.900 0.054 0.000 1.002 270 G CA -0.611 44.544 45.100 0.091 0.000 0.730 270 G HN -0.535 8.262 8.290 0.107 -0.443 0.497 271 R N -0.385 120.155 120.500 0.066 0.000 2.474 271 R HA 0.398 nan 4.340 nan 0.000 0.295 271 R C 0.118 176.442 176.300 0.041 0.000 0.980 271 R CA -1.759 54.371 56.100 0.051 0.000 0.934 271 R CB 1.404 31.744 30.300 0.067 0.000 1.101 271 R HN -0.704 7.757 8.270 0.084 -0.140 0.469 272 L N 2.037 123.279 121.223 0.031 0.000 1.971 272 L HA -0.422 nan 4.340 nan 0.000 0.215 272 L C 1.471 178.370 176.870 0.049 0.000 1.072 272 L CA 3.083 57.945 54.840 0.035 0.000 0.758 272 L CB -1.297 40.778 42.059 0.027 0.000 0.889 272 L HN 0.677 8.922 8.230 0.025 0.000 0.433 273 D N -3.753 116.672 120.400 0.043 0.000 2.133 273 D HA -0.378 nan 4.640 nan 0.000 0.195 273 D C 1.948 178.263 176.300 0.025 0.000 0.997 273 D CA 2.816 56.838 54.000 0.038 0.000 0.840 273 D CB -1.030 39.796 40.800 0.043 0.000 0.947 273 D HN 0.287 8.682 8.370 0.041 0.000 0.452 274 T N 0.715 115.287 114.554 0.030 0.000 3.055 274 T HA -0.014 nan 4.350 nan 0.000 0.265 274 T C 1.914 176.549 174.700 -0.109 0.000 1.111 274 T CA 2.881 64.972 62.100 -0.015 0.000 1.118 274 T CB -0.551 68.362 68.868 0.075 0.000 0.909 274 T HN -0.466 7.803 8.240 0.048 0.000 0.501 275 M N 1.306 120.907 119.600 0.002 0.000 2.156 275 M HA -0.318 nan 4.480 nan 0.000 0.264 275 M C 1.631 178.004 176.300 0.122 0.000 1.067 275 M CA 4.344 59.700 55.300 0.094 0.000 1.131 275 M CB -0.106 32.587 32.600 0.155 0.000 1.368 275 M HN -0.364 7.778 8.290 0.034 0.168 0.416 276 V N -0.802 119.149 119.914 0.062 0.000 2.270 276 V HA -0.445 nan 4.120 nan 0.000 0.245 276 V C 1.856 177.845 176.094 -0.175 0.000 1.043 276 V CA 5.037 67.299 62.300 -0.062 0.000 1.014 276 V CB -1.140 30.665 31.823 -0.030 0.000 0.645 276 V HN -0.361 7.870 8.190 0.069 0.000 0.447 277 T N 0.706 115.176 114.554 -0.141 0.000 2.778 277 T HA -0.358 nan 4.350 nan 0.000 0.269 277 T C 1.724 176.252 174.700 -0.288 0.000 1.050 277 T CA 4.793 66.801 62.100 -0.153 0.000 1.137 277 T CB -0.742 68.090 68.868 -0.061 0.000 0.860 277 T HN -0.112 8.075 8.240 -0.088 0.000 0.468 278 A N 0.769 123.292 122.820 -0.495 0.000 1.930 278 A HA -0.067 nan 4.320 nan 0.000 0.215 278 A C 1.360 178.738 177.584 -0.344 0.000 1.176 278 A CA 2.790 54.446 52.037 -0.635 0.000 0.632 278 A CB -0.846 17.749 19.000 -0.676 0.000 0.819 278 A HN -0.312 7.560 8.150 -0.415 0.029 0.445 279 L N -0.995 120.005 121.223 -0.372 0.000 1.988 279 L HA -0.316 nan 4.340 nan 0.000 0.207 279 L C 2.300 178.939 176.870 -0.385 0.000 1.071 279 L CA 3.104 57.633 54.840 -0.518 0.000 0.744 279 L CB -0.370 41.123 42.059 -0.944 0.000 0.893 279 L HN -0.327 7.598 8.230 -0.344 0.099 0.433 280 S N -0.537 114.970 115.700 -0.321 0.000 2.387 280 S HA -0.360 nan 4.470 nan 0.000 0.230 280 S C 1.663 176.159 174.600 -0.174 0.000 1.035 280 S CA 3.439 61.501 58.200 -0.230 0.000 1.014 280 S CB -0.350 62.745 63.200 -0.175 0.000 0.836 280 S HN 0.355 8.470 8.310 -0.324 0.000 0.466 281 C N -2.852 116.366 119.300 -0.136 0.000 2.511 281 C HA 0.131 nan 4.460 nan 0.000 0.277 281 C C 0.201 175.133 174.990 -0.097 0.000 1.451 281 C CA -1.678 57.298 59.018 -0.069 0.000 1.735 281 C CB -2.075 25.698 27.740 0.054 0.000 1.704 281 C HN -0.593 7.528 8.230 -0.156 0.016 0.571 282 C N -1.649 117.551 119.300 -0.167 0.000 2.365 282 C HA 0.369 nan 4.460 nan 0.000 0.349 282 C C -0.795 174.033 174.990 -0.270 0.000 1.191 282 C CA -3.544 55.351 59.018 -0.205 0.000 2.114 282 C CB 1.993 29.595 27.740 -0.231 0.000 2.367 282 C HN -0.008 7.927 8.230 -0.205 0.173 0.530 283 Q N 2.750 122.342 119.800 -0.347 0.000 2.520 283 Q HA -0.322 nan 4.340 nan 0.000 0.320 283 Q C 1.392 177.127 176.000 -0.441 0.000 1.104 283 Q CA 1.076 56.598 55.803 -0.468 0.000 1.062 283 Q CB -0.296 27.946 28.738 -0.827 0.000 1.005 283 Q HN 0.666 8.649 8.270 -0.341 0.082 0.390 284 E N 5.522 125.535 120.200 -0.311 0.000 2.187 284 E HA -0.456 nan 4.350 nan 0.000 0.199 284 E C 0.586 177.055 176.600 -0.217 0.000 1.004 284 E CA 2.896 59.155 56.400 -0.235 0.000 0.813 284 E CB -0.510 29.089 29.700 -0.169 0.000 0.736 284 E HN 0.824 9.021 8.360 -0.271 0.000 0.468 285 A N -3.466 119.198 122.820 -0.260 0.000 2.169 285 A HA 0.018 nan 4.320 nan 0.000 0.210 285 A C -0.316 177.250 177.584 -0.030 0.000 1.168 285 A CA 0.973 52.940 52.037 -0.117 0.000 0.813 285 A CB 0.923 19.930 19.000 0.013 0.000 0.861 285 A HN 0.149 8.427 8.150 -0.356 -0.341 0.481 286 Y N -8.418 111.801 120.300 -0.136 0.000 2.998 286 Y HA 0.235 nan 4.550 nan 0.000 0.264 286 Y C -0.612 175.141 175.900 -0.245 0.000 1.092 286 Y CA -1.665 56.337 58.100 -0.162 0.000 1.247 286 Y CB -0.328 38.046 38.460 -0.143 0.000 1.283 286 Y HN -0.643 7.327 8.280 -0.703 -0.111 0.605 287 G N 1.099 109.649 108.800 -0.417 0.000 2.444 287 G HA2 0.175 nan 3.960 nan 0.000 0.268 287 G HA3 0.175 nan 3.960 nan 0.000 0.268 287 G C -2.394 172.324 174.900 -0.303 0.000 1.203 287 G CA -0.634 44.220 45.100 -0.410 0.000 0.835 287 G HN -0.201 7.833 8.290 -0.428 0.000 0.543 288 V N 1.714 121.433 119.914 -0.324 0.000 2.495 288 V HA 0.597 nan 4.120 nan 0.000 0.298 288 V C -1.556 174.431 176.094 -0.179 0.000 1.031 288 V CA -1.720 60.469 62.300 -0.185 0.000 0.871 288 V CB 2.310 34.080 31.823 -0.089 0.000 0.988 288 V HN -0.066 7.855 8.190 -0.449 0.000 0.432 289 S N 4.808 120.442 115.700 -0.110 0.000 2.478 289 S HA 0.660 nan 4.470 nan 0.000 0.312 289 S C -1.925 172.714 174.600 0.066 0.000 1.094 289 S CA -1.743 56.404 58.200 -0.088 0.000 1.081 289 S CB 2.025 65.153 63.200 -0.119 0.000 1.007 289 S HN 0.495 8.775 8.310 -0.050 0.000 0.475 290 V N 8.468 128.346 119.914 -0.060 0.000 2.328 290 V HA 0.472 nan 4.120 nan 0.000 0.278 290 V C -0.586 175.584 176.094 0.127 0.000 1.021 290 V CA -1.408 60.924 62.300 0.053 0.000 0.838 290 V CB 0.528 32.397 31.823 0.076 0.000 0.999 290 V HN 0.678 8.710 8.190 -0.263 0.000 0.447 291 I N 8.555 129.162 120.570 0.062 0.000 2.436 291 I HA -0.031 nan 4.170 nan 0.000 0.289 291 I C -0.514 175.619 176.117 0.027 0.000 1.083 291 I CA 1.370 62.682 61.300 0.019 0.000 1.372 291 I CB -0.393 37.519 38.000 -0.147 0.000 1.408 291 I HN 0.628 8.844 8.210 0.010 0.000 0.516 292 V N 6.623 126.582 119.914 0.075 0.000 3.359 292 V HA 0.221 nan 4.120 nan 0.000 0.245 292 V C 0.500 176.637 176.094 0.071 0.000 1.247 292 V CA -0.194 62.153 62.300 0.077 0.000 1.145 292 V CB 0.641 32.529 31.823 0.110 0.000 0.906 292 V HN 0.626 8.777 8.190 0.099 0.097 0.464 293 G N 0.753 109.600 108.800 0.079 0.000 2.594 293 G HA2 -0.053 nan 3.960 nan 0.000 0.243 293 G HA3 -0.053 nan 3.960 nan 0.000 0.243 293 G C -0.711 174.217 174.900 0.046 0.000 1.229 293 G CA -0.551 44.603 45.100 0.091 0.000 0.843 293 G HN -0.374 7.967 8.290 0.084 0.000 0.578 294 V N 2.831 122.778 119.914 0.056 0.000 2.370 294 V HA 0.261 nan 4.120 nan 0.000 0.283 294 V C -1.567 174.453 176.094 -0.122 0.000 1.023 294 V CA -3.597 58.683 62.300 -0.033 0.000 0.857 294 V CB 1.160 32.976 31.823 -0.012 0.000 0.985 294 V HN 0.351 8.621 8.190 0.134 0.000 0.443 295 P HA 0.394 nan 4.420 nan 0.000 0.274 295 P C -2.175 175.035 177.300 -0.151 0.000 1.256 295 P CA -2.340 60.695 63.100 -0.108 0.000 0.795 295 P CB -0.166 31.488 31.700 -0.078 0.000 1.038 296 P HA -0.130 nan 4.420 nan 0.000 0.268 296 P C -0.693 176.572 177.300 -0.058 0.000 1.485 296 P CA -0.225 62.823 63.100 -0.087 0.000 1.102 296 P CB -0.308 31.368 31.700 -0.040 0.000 1.501 297 D N 6.798 127.162 120.400 -0.061 0.000 4.078 297 D HA -0.449 nan 4.640 nan 0.000 0.196 297 D C 0.024 176.305 176.300 -0.031 0.000 0.717 297 D CA 2.280 56.259 54.000 -0.035 0.000 0.950 297 D CB -0.744 40.047 40.800 -0.015 0.000 0.423 297 D HN 0.496 8.815 8.370 -0.086 0.000 0.373 298 S N 3.223 118.911 115.700 -0.020 0.000 3.513 298 S HA 0.172 nan 4.470 nan 0.000 0.209 298 S C -1.107 173.482 174.600 -0.018 0.000 1.446 298 S CA 0.229 58.418 58.200 -0.018 0.000 1.150 298 S CB -1.396 61.798 63.200 -0.011 0.000 1.266 298 S HN 0.296 8.597 8.310 -0.014 0.000 0.502 299 Q N 0.937 120.722 119.800 -0.024 0.000 2.316 299 Q HA 0.139 nan 4.340 nan 0.000 0.264 299 Q C -1.191 174.796 176.000 -0.023 0.000 0.987 299 Q CA -0.622 55.170 55.803 -0.018 0.000 0.852 299 Q CB 1.841 30.569 28.738 -0.016 0.000 1.287 299 Q HN -0.612 7.580 8.270 -0.032 0.059 0.448 300 N N 2.811 121.502 118.700 -0.014 0.000 2.473 300 N HA 0.152 nan 4.740 nan 0.000 0.291 300 N C -0.895 174.614 175.510 -0.001 0.000 1.083 300 N CA -0.205 52.837 53.050 -0.013 0.000 0.951 300 N CB 1.354 39.836 38.487 -0.008 0.000 1.164 300 N HN 0.176 8.551 8.380 -0.008 0.000 0.480 301 L N -0.761 120.465 121.223 0.005 0.000 2.344 301 L HA 0.351 nan 4.340 nan 0.000 0.272 301 L C -0.228 176.669 176.870 0.045 0.000 1.035 301 L CA -0.665 54.194 54.840 0.032 0.000 0.807 301 L CB 0.982 43.074 42.059 0.055 0.000 1.237 301 L HN -0.074 8.151 8.230 -0.008 0.000 0.442 302 S N 2.849 118.578 115.700 0.048 0.000 2.473 302 S HA 0.316 nan 4.470 nan 0.000 0.307 302 S C -1.182 173.448 174.600 0.051 0.000 1.094 302 S CA 0.006 58.231 58.200 0.042 0.000 1.070 302 S CB 0.684 63.899 63.200 0.024 0.000 1.019 302 S HN 0.104 8.441 8.310 0.045 0.000 0.480 303 M N 1.315 120.947 119.600 0.053 0.000 2.465 303 M HA 0.148 nan 4.480 nan 0.000 0.284 303 M C -2.232 174.071 176.300 0.005 0.000 1.212 303 M CA 0.334 55.650 55.300 0.025 0.000 0.910 303 M CB 2.359 34.992 32.600 0.056 0.000 1.725 303 M HN -0.147 8.176 8.290 0.055 0.000 0.477 304 N N 3.050 121.731 118.700 -0.032 0.000 2.444 304 N HA 0.267 nan 4.740 nan 0.000 0.271 304 N C 0.078 175.560 175.510 -0.046 0.000 1.069 304 N CA -2.191 50.839 53.050 -0.033 0.000 0.965 304 N CB 1.172 39.633 38.487 -0.042 0.000 1.092 304 N HN 0.027 8.376 8.380 -0.053 0.000 0.476 305 P HA -0.200 nan 4.420 nan 0.000 0.221 305 P C 1.063 178.333 177.300 -0.049 0.000 1.145 305 P CA 1.710 64.794 63.100 -0.026 0.000 0.795 305 P CB 0.342 32.039 31.700 -0.005 0.000 0.775 306 M N -1.829 117.739 119.600 -0.054 0.000 2.267 306 M HA -0.295 nan 4.480 nan 0.000 0.263 306 M C 1.777 178.024 176.300 -0.088 0.000 1.063 306 M CA 2.429 57.692 55.300 -0.061 0.000 1.090 306 M CB -0.778 31.789 32.600 -0.055 0.000 1.392 306 M HN -0.424 8.042 8.290 -0.048 -0.204 0.422 307 L N -2.044 119.108 121.223 -0.118 0.000 2.127 307 L HA -0.359 nan 4.340 nan 0.000 0.211 307 L C 2.867 179.635 176.870 -0.170 0.000 1.089 307 L CA 2.694 57.432 54.840 -0.171 0.000 0.757 307 L CB -0.706 41.207 42.059 -0.244 0.000 0.899 307 L HN -0.508 7.630 8.230 -0.111 0.025 0.434 308 L N -1.436 119.709 121.223 -0.130 0.000 2.102 308 L HA -0.182 nan 4.340 nan 0.000 0.202 308 L C 2.332 179.162 176.870 -0.067 0.000 1.076 308 L CA 2.224 57.007 54.840 -0.094 0.000 0.761 308 L CB -1.065 40.971 42.059 -0.038 0.000 0.921 308 L HN -0.043 7.981 8.230 -0.111 0.140 0.444 309 L N -0.064 121.127 121.223 -0.054 0.000 2.051 309 L HA -0.472 nan 4.340 nan 0.000 0.214 309 L C 2.086 178.928 176.870 -0.046 0.000 1.076 309 L CA 3.274 58.089 54.840 -0.041 0.000 0.758 309 L CB -0.292 41.745 42.059 -0.036 0.000 0.890 309 L HN -0.231 7.965 8.230 -0.056 0.000 0.433 310 S N -2.581 113.081 115.700 -0.063 0.000 2.440 310 S HA -0.202 nan 4.470 nan 0.000 0.238 310 S C 1.282 175.846 174.600 -0.059 0.000 1.010 310 S CA 1.877 60.038 58.200 -0.065 0.000 0.972 310 S CB 0.627 63.773 63.200 -0.089 0.000 0.774 310 S HN -0.316 7.940 8.310 -0.074 0.010 0.501 311 G N 0.467 109.228 108.800 -0.064 0.000 2.234 311 G HA2 -0.250 nan 3.960 nan 0.000 0.153 311 G HA3 -0.250 nan 3.960 nan 0.000 0.153 311 G C -1.428 173.428 174.900 -0.074 0.000 1.013 311 G CA -0.474 44.596 45.100 -0.050 0.000 0.712 311 G HN 0.094 8.177 8.290 -0.073 0.164 0.491 312 R N -0.138 120.294 120.500 -0.114 0.000 2.543 312 R HA 0.037 nan 4.340 nan 0.000 0.277 312 R C -0.635 175.607 176.300 -0.097 0.000 1.074 312 R CA 0.467 56.477 56.100 -0.150 0.000 1.076 312 R CB 0.711 30.877 30.300 -0.223 0.000 0.993 312 R HN -0.350 7.849 8.270 -0.119 0.000 0.459 313 T N 5.712 120.219 114.554 -0.079 0.000 2.792 313 T HA 0.346 nan 4.350 nan 0.000 0.280 313 T C -1.632 173.104 174.700 0.061 0.000 0.990 313 T CA -1.551 60.549 62.100 0.000 0.000 0.960 313 T CB 1.727 70.599 68.868 0.007 0.000 0.939 313 T HN 0.093 8.264 8.240 -0.113 0.000 0.439 314 W N 8.211 129.463 121.300 -0.080 0.000 2.329 314 W HA 0.490 nan 4.660 nan 0.000 0.312 314 W C -1.373 175.103 176.519 -0.072 0.000 1.054 314 W CA -2.937 54.357 57.345 -0.084 0.000 1.245 314 W CB 0.662 30.075 29.460 -0.079 0.000 1.255 314 W HN 0.376 8.694 8.180 0.229 0.000 0.436 315 K N 4.998 125.487 120.400 0.148 0.000 2.350 315 K HA 0.572 nan 4.320 nan 0.000 0.241 315 K C -1.294 175.254 176.600 -0.087 0.000 0.994 315 K CA -1.507 54.777 56.287 -0.005 0.000 0.839 315 K CB 4.026 36.530 32.500 0.007 0.000 1.244 315 K HN 0.700 9.090 8.250 0.234 0.000 0.443 316 G N -1.286 107.438 108.800 -0.126 0.000 2.619 316 G HA2 0.802 nan 3.960 nan 0.000 0.296 316 G HA3 0.802 nan 3.960 nan 0.000 0.296 316 G C -2.383 172.447 174.900 -0.116 0.000 1.334 316 G CA -0.606 44.405 45.100 -0.148 0.000 0.934 316 G HN -0.054 8.168 8.290 -0.113 0.000 0.476 317 A N 1.439 124.200 122.820 -0.098 0.000 2.594 317 A HA 0.373 nan 4.320 nan 0.000 0.296 317 A C -1.623 175.932 177.584 -0.047 0.000 1.061 317 A CA 0.430 52.416 52.037 -0.086 0.000 0.689 317 A CB 2.680 21.644 19.000 -0.061 0.000 1.280 317 A HN -0.007 8.092 8.150 -0.084 0.000 0.406 318 I N 0.934 121.488 120.570 -0.028 0.000 2.433 318 I HA 0.385 nan 4.170 nan 0.000 0.292 318 I C 0.110 176.385 176.117 0.263 0.000 1.001 318 I CA -0.585 60.778 61.300 0.105 0.000 1.119 318 I CB 2.739 40.759 38.000 0.033 0.000 1.289 318 I HN 0.635 8.809 8.210 -0.059 0.000 0.438 319 F N 6.459 126.518 119.950 0.182 0.000 2.988 319 F HA -0.352 nan 4.527 nan 0.000 0.287 319 F C -0.042 175.870 175.800 0.187 0.000 0.781 319 F CA 0.169 58.293 58.000 0.208 0.000 1.221 319 F CB -0.671 38.325 39.000 -0.007 0.000 1.392 319 F HN 0.837 9.422 8.300 0.475 0.000 0.425 320 G N -3.190 105.602 108.800 -0.014 0.000 2.198 320 G HA2 -0.424 nan 3.960 nan 0.000 0.260 320 G HA3 -0.424 nan 3.960 nan 0.000 0.260 320 G C 0.458 175.105 174.900 -0.422 0.000 1.025 320 G CA 0.244 45.198 45.100 -0.244 0.000 0.769 320 G HN 0.143 8.449 8.290 0.090 0.038 0.507 321 G N -2.864 105.823 108.800 -0.189 0.000 2.284 321 G HA2 -0.442 nan 3.960 nan 0.000 0.261 321 G HA3 -0.442 nan 3.960 nan 0.000 0.261 321 G C 0.540 175.398 174.900 -0.071 0.000 0.997 321 G CA 0.123 45.130 45.100 -0.154 0.000 0.621 321 G HN -0.441 7.786 8.290 -0.058 0.029 0.534 322 F N 2.518 122.401 119.950 -0.110 0.000 2.607 322 F HA -0.253 nan 4.527 nan 0.000 0.374 322 F C 0.087 175.946 175.800 0.099 0.000 1.104 322 F CA 0.542 58.490 58.000 -0.087 0.000 1.296 322 F CB 0.177 38.955 39.000 -0.370 0.000 1.085 322 F HN -0.878 7.156 8.300 -0.256 0.112 0.584 323 K N 5.629 126.224 120.400 0.325 0.000 2.219 323 K HA 0.135 nan 4.320 nan 0.000 0.280 323 K C 0.937 177.677 176.600 0.233 0.000 1.104 323 K CA -0.488 55.935 56.287 0.227 0.000 0.925 323 K CB -0.701 31.890 32.500 0.152 0.000 1.261 323 K HN 0.081 8.528 8.250 0.329 0.000 0.445 324 S N 7.703 123.569 115.700 0.277 0.000 2.427 324 S HA -0.563 nan 4.470 nan 0.000 0.261 324 S C 1.567 176.229 174.600 0.104 0.000 1.091 324 S CA 3.495 61.817 58.200 0.204 0.000 1.251 324 S CB -0.495 62.644 63.200 -0.101 0.000 1.160 324 S HN 0.422 8.894 8.310 0.270 0.000 0.436 325 K N -0.371 120.053 120.400 0.040 0.000 2.147 325 K HA -0.271 nan 4.320 nan 0.000 0.205 325 K C 1.044 177.667 176.600 0.039 0.000 1.049 325 K CA 2.482 58.784 56.287 0.025 0.000 0.936 325 K CB -0.247 32.257 32.500 0.007 0.000 0.722 325 K HN -0.366 7.964 8.250 0.022 -0.067 0.446 326 D N -2.484 117.949 120.400 0.055 0.000 2.216 326 D HA 0.128 nan 4.640 nan 0.000 0.208 326 D C 1.825 178.147 176.300 0.038 0.000 0.960 326 D CA 1.869 55.898 54.000 0.049 0.000 0.861 326 D CB 0.501 41.337 40.800 0.060 0.000 0.985 326 D HN -0.688 7.891 8.370 0.070 -0.167 0.493 327 S N 1.381 117.104 115.700 0.039 0.000 2.338 327 S HA -0.266 nan 4.470 nan 0.000 0.218 327 S C 2.236 176.784 174.600 -0.087 0.000 1.032 327 S CA 3.381 61.537 58.200 -0.073 0.000 0.999 327 S CB 0.286 63.368 63.200 -0.197 0.000 0.905 327 S HN 0.028 8.388 8.310 0.082 0.000 0.439 328 V N -1.712 118.208 119.914 0.011 0.000 2.250 328 V HA -0.226 nan 4.120 nan 0.000 0.250 328 V C -0.736 175.378 176.094 0.033 0.000 1.060 328 V CA 4.757 67.083 62.300 0.043 0.000 1.030 328 V CB -3.236 28.652 31.823 0.109 0.000 0.643 328 V HN -0.113 8.126 8.190 0.081 0.000 0.445 329 P HA -0.184 nan 4.420 nan 0.000 0.217 329 P C 1.736 179.060 177.300 0.040 0.000 1.150 329 P CA 3.057 66.179 63.100 0.036 0.000 0.832 329 P CB -0.739 30.979 31.700 0.030 0.000 0.787 330 K N -0.951 119.466 120.400 0.028 0.000 2.057 330 K HA -0.196 nan 4.320 nan 0.000 0.206 330 K C 2.392 179.029 176.600 0.061 0.000 1.050 330 K CA 2.372 58.681 56.287 0.038 0.000 0.935 330 K CB -0.741 31.773 32.500 0.025 0.000 0.715 330 K HN -0.775 7.476 8.250 0.016 0.009 0.439 331 L N -0.972 120.268 121.223 0.028 0.000 2.046 331 L HA -0.394 nan 4.340 nan 0.000 0.208 331 L C 2.109 179.128 176.870 0.248 0.000 1.077 331 L CA 3.308 58.202 54.840 0.089 0.000 0.747 331 L CB -0.010 42.018 42.059 -0.051 0.000 0.896 331 L HN 0.240 8.275 8.230 -0.022 0.182 0.432 332 V N -1.260 118.748 119.914 0.156 0.000 2.343 332 V HA -0.507 nan 4.120 nan 0.000 0.247 332 V C 1.758 177.934 176.094 0.136 0.000 1.051 332 V CA 4.370 66.762 62.300 0.154 0.000 1.036 332 V CB -1.198 30.679 31.823 0.090 0.000 0.654 332 V HN 0.248 8.497 8.190 0.098 0.000 0.451 333 A N -1.381 121.497 122.820 0.097 0.000 1.933 333 A HA -0.398 nan 4.320 nan 0.000 0.218 333 A C 1.857 179.467 177.584 0.042 0.000 1.175 333 A CA 3.505 55.575 52.037 0.055 0.000 0.628 333 A CB -0.935 18.095 19.000 0.050 0.000 0.814 333 A HN -0.111 8.094 8.150 0.092 0.000 0.444 334 D N -0.584 119.889 120.400 0.123 0.000 2.117 334 D HA -0.225 nan 4.640 nan 0.000 0.198 334 D C 2.073 178.291 176.300 -0.137 0.000 0.982 334 D CA 3.113 57.200 54.000 0.145 0.000 0.828 334 D CB -0.304 40.758 40.800 0.435 0.000 0.967 334 D HN -0.603 7.770 8.370 0.175 0.103 0.464 335 F N 1.667 121.344 119.950 -0.454 0.000 2.126 335 F HA -0.362 nan 4.527 nan 0.000 0.299 335 F C 2.175 177.685 175.800 -0.484 0.000 1.096 335 F CA 3.103 60.521 58.000 -0.969 0.000 1.255 335 F CB 0.213 38.801 39.000 -0.687 0.000 0.997 335 F HN -0.303 7.993 8.300 0.132 0.083 0.479 336 M N -0.441 118.951 119.600 -0.346 0.000 2.080 336 M HA -0.354 nan 4.480 nan 0.000 0.260 336 M C 1.536 177.644 176.300 -0.319 0.000 1.068 336 M CA 2.209 57.319 55.300 -0.317 0.000 1.109 336 M CB -1.357 31.172 32.600 -0.118 0.000 1.342 336 M HN 0.062 8.220 8.290 -0.104 0.070 0.405 337 A N -3.190 119.495 122.820 -0.224 0.000 2.178 337 A HA -0.139 nan 4.320 nan 0.000 0.218 337 A C -0.615 176.843 177.584 -0.210 0.000 1.157 337 A CA 0.730 52.670 52.037 -0.162 0.000 0.689 337 A CB 0.121 19.076 19.000 -0.075 0.000 0.787 337 A HN -0.222 7.745 8.150 -0.177 0.076 0.465 338 K N -5.340 114.841 120.400 -0.364 0.000 3.218 338 K HA -0.327 nan 4.320 nan 0.000 0.276 338 K C 0.103 176.581 176.600 -0.203 0.000 1.173 338 K CA 0.960 57.023 56.287 -0.373 0.000 0.812 338 K CB -2.284 30.055 32.500 -0.269 0.000 1.275 338 K HN -0.534 7.206 8.250 -0.499 0.210 0.504 339 K N -2.826 117.480 120.400 -0.157 0.000 2.487 339 K HA -0.085 nan 4.320 nan 0.000 0.192 339 K C -0.357 176.406 176.600 0.272 0.000 1.027 339 K CA 1.478 57.820 56.287 0.091 0.000 1.054 339 K CB 0.561 33.190 32.500 0.215 0.000 0.824 339 K HN -0.213 7.868 8.250 -0.282 0.000 0.510 340 F N -5.505 114.448 119.950 0.005 0.000 2.877 340 F HA 0.268 nan 4.527 nan 0.000 0.319 340 F C -2.259 173.572 175.800 0.052 0.000 1.174 340 F CA -2.734 55.294 58.000 0.047 0.000 0.903 340 F CB 1.830 40.858 39.000 0.046 0.000 1.357 340 F HN -0.932 7.085 8.300 -0.366 0.064 0.472 341 A N -0.043 122.930 122.820 0.256 0.000 2.429 341 A HA 0.274 nan 4.320 nan 0.000 0.289 341 A C -1.433 176.269 177.584 0.195 0.000 1.043 341 A CA -0.146 52.007 52.037 0.194 0.000 0.722 341 A CB 1.673 20.741 19.000 0.113 0.000 1.243 341 A HN 0.354 8.747 8.150 0.405 0.000 0.415 342 L N 1.988 123.290 121.223 0.131 0.000 2.509 342 L HA 0.019 nan 4.340 nan 0.000 0.222 342 L C 1.589 178.481 176.870 0.036 0.000 1.123 342 L CA 0.265 55.091 54.840 -0.024 0.000 0.856 342 L CB -0.295 41.602 42.059 -0.270 0.000 0.985 342 L HN 0.339 8.753 8.230 0.308 0.000 0.456 343 D N 0.391 120.835 120.400 0.074 0.000 2.126 343 D HA -0.202 nan 4.640 nan 0.000 0.190 343 D C 0.263 176.597 176.300 0.057 0.000 1.001 343 D CA 4.691 58.726 54.000 0.058 0.000 0.841 343 D CB -2.517 38.319 40.800 0.060 0.000 0.949 343 D HN 0.378 8.771 8.370 0.114 0.046 0.446 344 P HA -0.124 nan 4.420 nan 0.000 0.223 344 P C 0.094 177.442 177.300 0.080 0.000 1.144 344 P CA 1.600 64.746 63.100 0.076 0.000 0.783 344 P CB -0.202 31.554 31.700 0.094 0.000 0.771 345 L N -5.357 115.918 121.223 0.086 0.000 2.307 345 L HA 0.019 nan 4.340 nan 0.000 0.211 345 L C -0.246 176.665 176.870 0.068 0.000 1.099 345 L CA -0.450 54.442 54.840 0.088 0.000 0.816 345 L CB 0.122 42.245 42.059 0.107 0.000 0.952 345 L HN -0.482 7.637 8.230 0.085 0.162 0.455 346 I N -1.020 119.581 120.570 0.052 0.000 2.363 346 I HA -0.230 nan 4.170 nan 0.000 0.292 346 I C -0.095 176.046 176.117 0.040 0.000 1.075 346 I CA 1.261 62.588 61.300 0.044 0.000 1.333 346 I CB -0.645 37.370 38.000 0.024 0.000 1.415 346 I HN -0.342 7.747 8.210 0.049 0.151 0.502 347 T N 5.204 119.807 114.554 0.081 0.000 2.975 347 T HA 0.268 nan 4.350 nan 0.000 0.257 347 T C 0.234 174.842 174.700 -0.153 0.000 1.003 347 T CA -0.455 61.668 62.100 0.039 0.000 0.932 347 T CB 1.242 70.218 68.868 0.180 0.000 1.087 347 T HN 0.744 9.054 8.240 0.117 0.000 0.512 348 H N -0.458 118.605 119.070 -0.012 0.000 3.046 348 H HA 0.199 nan 4.556 nan 0.000 0.361 348 H C -2.437 172.878 175.328 -0.021 0.000 1.235 348 H CA -0.207 55.830 56.048 -0.018 0.000 1.146 348 H CB 4.049 33.795 29.762 -0.025 0.000 1.859 348 H HN -0.594 7.785 8.280 0.164 0.000 0.548 349 V N 2.587 122.553 119.914 0.087 0.000 2.666 349 V HA 0.183 nan 4.120 nan 0.000 0.269 349 V C -1.325 174.777 176.094 0.014 0.000 0.926 349 V CA -0.476 61.845 62.300 0.035 0.000 1.035 349 V CB -0.026 31.805 31.823 0.014 0.000 1.099 349 V HN 0.359 8.595 8.190 0.076 0.000 0.519 350 L N 3.467 124.694 121.223 0.006 0.000 2.475 350 L HA 0.458 nan 4.340 nan 0.000 0.250 350 L C -1.580 175.249 176.870 -0.069 0.000 1.224 350 L CA -1.940 52.882 54.840 -0.030 0.000 0.821 350 L CB 0.138 42.168 42.059 -0.048 0.000 1.141 350 L HN 0.121 8.362 8.230 0.019 0.000 0.494 351 P HA 0.448 nan 4.420 nan 0.000 0.296 351 P C 0.286 177.476 177.300 -0.182 0.000 1.301 351 P CA -1.556 61.477 63.100 -0.113 0.000 0.862 351 P CB 1.159 32.818 31.700 -0.069 0.000 1.046 352 F N 4.901 124.566 119.950 -0.475 0.000 2.060 352 F HA -0.635 nan 4.527 nan 0.000 0.293 352 F C 0.801 176.383 175.800 -0.364 0.000 1.096 352 F CA 4.518 62.150 58.000 -0.614 0.000 1.241 352 F CB 0.021 38.417 39.000 -1.007 0.000 0.959 352 F HN 0.948 8.979 8.300 -0.273 0.104 0.499 353 E N -3.692 116.251 120.200 -0.428 0.000 2.273 353 E HA -0.389 nan 4.350 nan 0.000 0.198 353 E C 1.255 177.628 176.600 -0.379 0.000 1.002 353 E CA 2.342 58.482 56.400 -0.433 0.000 0.828 353 E CB -1.142 28.458 29.700 -0.167 0.000 0.747 353 E HN 0.547 8.804 8.360 -0.149 0.014 0.491 354 K N -1.547 118.667 120.400 -0.311 0.000 2.500 354 K HA 0.166 nan 4.320 nan 0.000 0.206 354 K C 0.641 177.084 176.600 -0.262 0.000 1.034 354 K CA -1.217 54.934 56.287 -0.227 0.000 1.179 354 K CB -0.241 32.175 32.500 -0.141 0.000 0.884 354 K HN 0.022 7.926 8.250 -0.294 0.170 0.493 355 I N 1.643 121.953 120.570 -0.433 0.000 2.087 355 I HA -0.625 nan 4.170 nan 0.000 0.240 355 I C 0.202 176.148 176.117 -0.284 0.000 1.054 355 I CA 4.162 65.174 61.300 -0.480 0.000 1.311 355 I CB 0.148 37.599 38.000 -0.916 0.000 1.024 355 I HN 0.294 7.975 8.210 -0.572 0.185 0.402 356 N N -2.683 115.845 118.700 -0.286 0.000 2.247 356 N HA -0.409 nan 4.740 nan 0.000 0.189 356 N C 2.359 177.858 175.510 -0.017 0.000 1.009 356 N CA 3.168 56.147 53.050 -0.118 0.000 0.872 356 N CB -0.637 37.798 38.487 -0.085 0.000 0.980 356 N HN 0.210 8.384 8.380 -0.343 0.000 0.436 357 E N 0.374 120.541 120.200 -0.055 0.000 2.076 357 E HA -0.136 nan 4.350 nan 0.000 0.190 357 E C 1.924 178.514 176.600 -0.018 0.000 0.979 357 E CA 2.372 58.752 56.400 -0.034 0.000 0.807 357 E CB -0.100 29.566 29.700 -0.056 0.000 0.761 357 E HN 0.006 8.137 8.360 -0.111 0.162 0.454 358 G N -0.700 108.090 108.800 -0.018 0.000 2.462 358 G HA2 -0.238 nan 3.960 nan 0.000 0.220 358 G HA3 -0.238 nan 3.960 nan 0.000 0.220 358 G C 1.854 176.740 174.900 -0.023 0.000 1.121 358 G CA 2.020 47.092 45.100 -0.047 0.000 0.758 358 G HN -0.310 7.880 8.290 -0.042 0.076 0.559 359 F N -0.057 119.820 119.950 -0.121 0.000 2.367 359 F HA -0.136 nan 4.527 nan 0.000 0.298 359 F C 1.989 177.756 175.800 -0.055 0.000 1.094 359 F CA 2.686 60.650 58.000 -0.060 0.000 1.409 359 F CB 0.005 39.012 39.000 0.012 0.000 1.064 359 F HN -0.235 8.259 8.300 0.366 0.026 0.528 360 D N 0.735 121.200 120.400 0.108 0.000 2.149 360 D HA -0.164 nan 4.640 nan 0.000 0.201 360 D C 2.025 178.305 176.300 -0.033 0.000 0.972 360 D CA 3.768 57.787 54.000 0.032 0.000 0.835 360 D CB -0.188 40.620 40.800 0.013 0.000 0.966 360 D HN -0.799 7.512 8.370 0.119 0.131 0.476 361 L N -1.599 119.569 121.223 -0.091 0.000 2.093 361 L HA -0.248 nan 4.340 nan 0.000 0.208 361 L C 2.684 179.465 176.870 -0.148 0.000 1.085 361 L CA 3.043 57.781 54.840 -0.170 0.000 0.755 361 L CB -0.683 41.159 42.059 -0.362 0.000 0.904 361 L HN -0.086 8.011 8.230 -0.082 0.083 0.435 362 L N 0.252 121.388 121.223 -0.146 0.000 1.937 362 L HA -0.383 nan 4.340 nan 0.000 0.213 362 L C 1.843 178.664 176.870 -0.082 0.000 1.077 362 L CA 3.178 57.934 54.840 -0.139 0.000 0.758 362 L CB -0.314 41.618 42.059 -0.212 0.000 0.888 362 L HN -0.603 7.435 8.230 -0.145 0.105 0.433 363 R N -3.387 117.081 120.500 -0.053 0.000 2.303 363 R HA -0.304 nan 4.340 nan 0.000 0.225 363 R C 1.659 177.949 176.300 -0.016 0.000 1.114 363 R CA 2.649 58.738 56.100 -0.019 0.000 1.007 363 R CB -0.376 29.932 30.300 0.014 0.000 0.861 363 R HN -0.256 7.984 8.270 -0.050 0.000 0.471 364 S N -3.027 112.656 115.700 -0.028 0.000 2.492 364 S HA 0.042 nan 4.470 nan 0.000 0.218 364 S C 0.678 175.262 174.600 -0.026 0.000 1.016 364 S CA 0.451 58.637 58.200 -0.023 0.000 0.916 364 S CB 1.191 64.375 63.200 -0.027 0.000 0.791 364 S HN -0.502 7.629 8.310 -0.042 0.154 0.513 365 G N 1.778 110.557 108.800 -0.035 0.000 2.141 365 G HA2 -0.327 nan 3.960 nan 0.000 0.231 365 G HA3 -0.327 nan 3.960 nan 0.000 0.231 365 G C 0.230 175.115 174.900 -0.025 0.000 0.984 365 G CA 0.518 45.600 45.100 -0.030 0.000 0.660 365 G HN -0.083 8.015 8.290 -0.046 0.165 0.525 366 E N -1.519 118.663 120.200 -0.030 0.000 2.474 366 E HA 0.085 nan 4.350 nan 0.000 0.195 366 E C -0.260 176.367 176.600 0.045 0.000 1.039 366 E CA -0.318 56.086 56.400 0.006 0.000 0.881 366 E CB 0.623 30.334 29.700 0.019 0.000 0.970 366 E HN -0.149 8.144 8.360 -0.051 0.036 0.486 367 S N -2.088 113.589 115.700 -0.037 0.000 2.745 367 S HA 0.529 nan 4.470 nan 0.000 0.306 367 S C -1.573 173.033 174.600 0.009 0.000 1.137 367 S CA -1.173 57.015 58.200 -0.021 0.000 0.900 367 S CB 3.396 66.395 63.200 -0.336 0.000 1.176 367 S HN -0.713 7.506 8.310 -0.066 0.052 0.520 368 I N -1.188 119.411 120.570 0.049 0.000 3.415 368 I HA 0.262 nan 4.170 nan 0.000 0.269 368 I C -0.645 175.484 176.117 0.020 0.000 0.564 368 I CA -0.282 61.039 61.300 0.036 0.000 3.056 368 I CB 1.998 40.037 38.000 0.064 0.000 1.513 368 I HN 0.092 8.366 8.210 0.106 0.000 0.535 369 R N 0.114 120.642 120.500 0.047 0.000 2.221 369 R HA 0.221 nan 4.340 nan 0.000 0.327 369 R C -1.423 174.905 176.300 0.047 0.000 1.033 369 R CA -1.606 54.512 56.100 0.030 0.000 0.887 369 R CB 0.273 30.598 30.300 0.042 0.000 1.057 369 R HN 0.247 8.558 8.270 0.067 0.000 0.455 370 T N 4.373 118.931 114.554 0.006 0.000 2.842 370 T HA 0.479 nan 4.350 nan 0.000 0.308 370 T C -0.536 174.171 174.700 0.011 0.000 1.041 370 T CA -2.163 59.951 62.100 0.024 0.000 0.964 370 T CB 0.838 69.670 68.868 -0.060 0.000 0.972 370 T HN 0.413 8.632 8.240 -0.036 0.000 0.460 371 I N 8.714 129.303 120.570 0.031 0.000 2.363 371 I HA 0.285 nan 4.170 nan 0.000 0.292 371 I C -0.319 175.803 176.117 0.009 0.000 1.075 371 I CA -2.291 59.025 61.300 0.026 0.000 1.333 371 I CB -1.683 36.333 38.000 0.026 0.000 1.415 371 I HN 0.670 8.908 8.210 0.048 0.000 0.502 372 L N 9.363 130.588 121.223 0.003 0.000 2.361 372 L HA 0.115 nan 4.340 nan 0.000 0.278 372 L C -0.352 176.471 176.870 -0.079 0.000 1.113 372 L CA -0.469 54.329 54.840 -0.070 0.000 0.849 372 L CB -0.730 41.272 42.059 -0.094 0.000 1.155 372 L HN 0.936 9.097 8.230 0.036 0.090 0.452 373 T N 1.813 116.306 114.554 -0.102 0.000 2.907 373 T HA 0.667 nan 4.350 nan 0.000 0.284 373 T C -0.497 174.110 174.700 -0.156 0.000 1.004 373 T CA -1.962 60.113 62.100 -0.041 0.000 1.063 373 T CB 1.206 70.075 68.868 0.002 0.000 0.992 373 T HN 0.573 8.753 8.240 -0.099 0.000 0.483 374 F N 0.000 119.954 119.950 0.006 0.000 2.286 374 F HA 0.000 nan 4.527 nan 0.000 0.279 374 F CA 0.000 57.984 58.000 -0.026 0.000 1.383 374 F CB 0.000 38.920 39.000 -0.134 0.000 1.145 374 F HN 0.000 8.457 8.300 0.261 0.000 0.574